smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C#N)cnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243325183	782138810	/nfs/dbraw/zinc/13/88/10/782138810.db2.gz	ZYIJIVVLUDECPA-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
CCCC[C@H](CC)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361920144	521161092	/nfs/dbraw/zinc/16/10/92/521161092.db2.gz	TVRLIYKTEDHLIU-LBPRGKRZSA-N	-1	0	276.384	2.912	20	30		CFEDRM
CCC(CC)(CNc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232993257	521444387	/nfs/dbraw/zinc/44/43/87/521444387.db2.gz	KCRDKABUXAWYHK-UHFFFAOYSA-N	-1	0	281.743	2.910	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccsc2)c1C#N	ZINC000336338932	524693480	/nfs/dbraw/zinc/69/34/80/524693480.db2.gz	LTVAJHZVKURMHH-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)o1	ZINC000334170208	525591257	/nfs/dbraw/zinc/59/12/57/525591257.db2.gz	BBCMLPKUQJMZNT-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000314379650	526664438	/nfs/dbraw/zinc/66/44/38/526664438.db2.gz	ASTVUNORJPFVQO-UHFFFAOYSA-N	-1	0	297.270	2.777	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccco2)c(Cl)c1	ZINC000336104176	526665028	/nfs/dbraw/zinc/66/50/28/526665028.db2.gz	RZDFWRNHHWEWFH-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC000063008849	526699320	/nfs/dbraw/zinc/69/93/20/526699320.db2.gz	DFPIVYXKUBAMSZ-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
C=CCOCCCSc1n[n-]c(=NCC(C)C)s1	ZINC000356067527	526763831	/nfs/dbraw/zinc/76/38/31/526763831.db2.gz	ZYCPGSJDMVKYJI-UHFFFAOYSA-N	-1	0	287.454	2.713	20	30		CFEDRM
CCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000193612431	528625394	/nfs/dbraw/zinc/62/53/94/528625394.db2.gz	HKWBPLVTAJUNJE-DHZHZOJOSA-N	-1	0	295.342	2.909	20	30		CFEDRM
CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000935108200	649876276	/nfs/dbraw/zinc/87/62/76/649876276.db2.gz	NKUFBFZZSJNVFY-DOMZBBRYSA-N	-1	0	288.347	2.654	20	30		CFEDRM
CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000935108202	649876618	/nfs/dbraw/zinc/87/66/18/649876618.db2.gz	NKUFBFZZSJNVFY-SWLSCSKDSA-N	-1	0	288.347	2.654	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000736427833	574051434	/nfs/dbraw/zinc/05/14/34/574051434.db2.gz	VUPLOSIAPGQDLI-ZIAGYGMSSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000736428974	574051507	/nfs/dbraw/zinc/05/15/07/574051507.db2.gz	MLBVIYQHKQGVGL-CYBMUJFWSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C[C@@H](C/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736583778	574061732	/nfs/dbraw/zinc/06/17/32/574061732.db2.gz	BRGCHCGTVLHMEL-JSJZUPIVSA-N	-1	0	257.289	2.685	20	30		CFEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000736773631	574071561	/nfs/dbraw/zinc/07/15/61/574071561.db2.gz	UTQKIPXGBYAKGT-BDJLRTHQSA-N	-1	0	286.331	2.587	20	30		CFEDRM
COc1cc(C#N)ccc1OCCS[C@@H](C)CC(=O)[O-]	ZINC000737844029	574079414	/nfs/dbraw/zinc/07/94/14/574079414.db2.gz	FSYPFMFFSOAAQC-JTQLQIEISA-N	-1	0	295.360	2.542	20	30		CFEDRM
CCC/C=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736975040	574089341	/nfs/dbraw/zinc/08/93/41/574089341.db2.gz	PQWIFJGOJQRUBK-NNTXTVRGSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CC1CCN(C(=O)CCCCCCNC(=O)[O-])CC1	ZINC000738488288	574091105	/nfs/dbraw/zinc/09/11/05/574091105.db2.gz	IACFOVPKGSQVNQ-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1	ZINC000738488886	574092107	/nfs/dbraw/zinc/09/21/07/574092107.db2.gz	OHZQPOPTYWNQLK-SECBINFHSA-N	-1	0	293.323	2.871	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000738493334	574095635	/nfs/dbraw/zinc/09/56/35/574095635.db2.gz	MKEOKYSVRWMAEY-ZDUSSCGKSA-N	-1	0	297.399	2.517	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)cc1)c1ccccc1C(=O)[O-]	ZINC000737058685	574104856	/nfs/dbraw/zinc/10/48/56/574104856.db2.gz	QJHPLWOCIVDAIP-UHFFFAOYSA-N	-1	0	294.310	2.923	20	30		CFEDRM
CC(C)c1nc(C#N)c(N=NCc2ccccc2C(=O)[O-])o1	ZINC000745612510	574120114	/nfs/dbraw/zinc/12/01/14/574120114.db2.gz	ZRNJLBOIBSUVQP-UHFFFAOYSA-N	-1	0	298.302	2.814	20	30		CFEDRM
CN(C)C(=S)NN=Cc1cc(-c2ccccc2)ccc1O	ZINC000731560766	574123727	/nfs/dbraw/zinc/12/37/27/574123727.db2.gz	AIOZPKSLMSNHTQ-UHFFFAOYSA-N	-1	0	299.399	2.829	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(NC[C@@H](C#N)CCC#N)cc1	ZINC000737336256	574136683	/nfs/dbraw/zinc/13/66/83/574136683.db2.gz	OLLWSKBHYLVIIW-LLVKDONJSA-N	-1	0	272.308	2.656	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc(-c2ccsc2)oc1C	ZINC000737534649	574146800	/nfs/dbraw/zinc/14/68/00/574146800.db2.gz	VWHGTHRFJLKHEG-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2ccc([N+](=O)[O-])cc2)c1	ZINC000755461569	574163001	/nfs/dbraw/zinc/16/30/01/574163001.db2.gz	GVGHSGGIRIIPET-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc3c[nH]nc3c2)cc1	ZINC000755456670	574163065	/nfs/dbraw/zinc/16/30/65/574163065.db2.gz	WKFHJXVICRIKRU-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C([O-])c1cc(N=NCC2CCOCC2)ccc1Cl	ZINC000755466588	574163645	/nfs/dbraw/zinc/16/36/45/574163645.db2.gz	ICTVEQZNIMBJON-UHFFFAOYSA-N	-1	0	282.727	2.863	20	30		CFEDRM
N#Cc1cccc(OCCNc2ccc(C(=O)[O-])cc2)c1	ZINC000738433803	574169218	/nfs/dbraw/zinc/16/92/18/574169218.db2.gz	KWNXZZVYYQFILS-UHFFFAOYSA-N	-1	0	282.299	2.747	20	30		CFEDRM
Cc1cccn2c(C=NNc3ccccc3C(=O)[O-])cnc12	ZINC000755599463	574171080	/nfs/dbraw/zinc/17/10/80/574171080.db2.gz	BQFMSWAHQXCSJW-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
C=CCOC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738492068	574171524	/nfs/dbraw/zinc/17/15/24/574171524.db2.gz	RSYVHXKTSUPDEB-LBPRGKRZSA-N	-1	0	263.293	2.505	20	30		CFEDRM
O=C([O-])c1csc(C=Nn2cnc3ccccc32)c1	ZINC000755612363	574171733	/nfs/dbraw/zinc/17/17/33/574171733.db2.gz	KVWFVOXVXNMVDA-UHFFFAOYSA-N	-1	0	271.301	2.678	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1nc(=O)c2sccc2[n-]1	ZINC000755671494	574176831	/nfs/dbraw/zinc/17/68/31/574176831.db2.gz	VPNMAZMYTIMDCL-UHFFFAOYSA-N	-1	0	290.392	2.769	20	30		CFEDRM
Cc1ccccc1C=NOCc1cc(C(=O)[O-])co1	ZINC000738766225	574183983	/nfs/dbraw/zinc/18/39/83/574183983.db2.gz	BHIOFNINTSLCHT-UHFFFAOYSA-N	-1	0	259.261	2.837	20	30		CFEDRM
C[C@@H](CCNc1ccc(C#N)c(Cl)c1)NC(=O)[O-]	ZINC000738902731	574190363	/nfs/dbraw/zinc/19/03/63/574190363.db2.gz	DZZMZDFUPHQUGY-QMMMGPOBSA-N	-1	0	267.716	2.670	20	30		CFEDRM
N#CCCCCNc1nc(Cl)c(C(=O)[O-])s1	ZINC000739068701	574196849	/nfs/dbraw/zinc/19/68/49/574196849.db2.gz	GYXMULOODBZHMY-UHFFFAOYSA-N	-1	0	259.718	2.600	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000739115979	574199147	/nfs/dbraw/zinc/19/91/47/574199147.db2.gz	WQKVKEZYFVZDRG-AWEZNQCLSA-N	-1	0	281.267	2.541	20	30		CFEDRM
N#Cc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1	ZINC000739119265	574199192	/nfs/dbraw/zinc/19/91/92/574199192.db2.gz	XPTLMMQKQYSXIS-ZROIWOOFSA-N	-1	0	250.257	2.578	20	30		CFEDRM
N#Cc1ccc(Nc2ccc(OCCCC(=O)[O-])cc2)nc1	ZINC000739121622	574199579	/nfs/dbraw/zinc/19/95/79/574199579.db2.gz	TYRGVQZMOLKFAY-UHFFFAOYSA-N	-1	0	297.314	2.940	20	30		CFEDRM
N#Cc1cccc(/C=C(/C(=O)[O-])c2ccncc2)c1	ZINC000739132799	574199642	/nfs/dbraw/zinc/19/96/42/574199642.db2.gz	TVAGDRXZYDDBQR-NTEUORMPSA-N	-1	0	250.257	2.578	20	30		CFEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])n1cccc1	ZINC000748003449	574224666	/nfs/dbraw/zinc/22/46/66/574224666.db2.gz	VTQNRYIJVMJGHU-LLVKDONJSA-N	-1	0	269.304	2.655	20	30		CFEDRM
C[C@@H](OCc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748003237	574224678	/nfs/dbraw/zinc/22/46/78/574224678.db2.gz	ALEYHCYAVXZBDG-GFCCVEGCSA-N	-1	0	296.326	2.808	20	30		CFEDRM
O=C([O-])N1CCC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1	ZINC000739924398	574229711	/nfs/dbraw/zinc/22/97/11/574229711.db2.gz	HDONPTGQNDONKP-OLWAXZHHSA-N	-1	0	299.330	2.502	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NC2CCC(NC(=O)[O-])CC2)n1	ZINC000740062829	574233951	/nfs/dbraw/zinc/23/39/51/574233951.db2.gz	GCSIIOAZVZMRDX-UHFFFAOYSA-N	-1	0	288.351	2.561	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000740106585	574235976	/nfs/dbraw/zinc/23/59/76/574235976.db2.gz	RYMKJNBJKCILIA-UHFFFAOYSA-N	-1	0	289.335	2.632	20	30		CFEDRM
N#CCCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000740306150	574246065	/nfs/dbraw/zinc/24/60/65/574246065.db2.gz	DEWISLAFLOSVJD-AVGNSLFASA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#Cc1ccc(SC[C@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000740320372	574247116	/nfs/dbraw/zinc/24/71/16/574247116.db2.gz	NQWSONTTZKTRKX-JTQLQIEISA-N	-1	0	280.324	2.789	20	30		CFEDRM
O=C([O-])N1CC(N=Nc2cccc3ccccc32)C1	ZINC000740488888	574251006	/nfs/dbraw/zinc/25/10/06/574251006.db2.gz	RECQJHQDLNRQQV-UHFFFAOYSA-N	-1	0	255.277	2.601	20	30		CFEDRM
Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000748411207	574251455	/nfs/dbraw/zinc/25/14/55/574251455.db2.gz	MAXSTOUYXMBVAO-GFCCVEGCSA-N	-1	0	298.346	2.667	20	30		CFEDRM
C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccco1	ZINC000748411671	574251510	/nfs/dbraw/zinc/25/15/10/574251510.db2.gz	WOYNLUKGKPZSQU-VIFPVBQESA-N	-1	0	256.261	2.599	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC23CCCC3)c1	ZINC000748411178	574251532	/nfs/dbraw/zinc/25/15/32/574251532.db2.gz	LHJDKKCVNWSPHI-LLVKDONJSA-N	-1	0	256.305	2.783	20	30		CFEDRM
COCCC(N=Nc1cccc(C(=O)[O-])c1)C(C)C	ZINC000756816009	574265142	/nfs/dbraw/zinc/26/51/42/574265142.db2.gz	ROUNVDDYBAHLFX-UHFFFAOYSA-N	-1	0	264.325	2.845	20	30		CFEDRM
COCCC(N=Nc1ccc(C(=O)[O-])cc1OC)C(C)C	ZINC000756899372	574271332	/nfs/dbraw/zinc/27/13/32/574271332.db2.gz	YMMHDEWXLHJQOW-UHFFFAOYSA-N	-1	0	294.351	2.854	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1	ZINC000739328171	574286095	/nfs/dbraw/zinc/28/60/95/574286095.db2.gz	CEWLRBAGMOAHBT-CHWSQXEVSA-N	-1	0	284.400	2.852	20	30		CFEDRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1C#N	ZINC000741758774	574300887	/nfs/dbraw/zinc/30/08/87/574300887.db2.gz	BQEWXKDCXFHROK-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
COc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1C#N	ZINC000737982759	574305690	/nfs/dbraw/zinc/30/56/90/574305690.db2.gz	OFBSSMYPPDMTNL-GORDUTHDSA-N	-1	0	280.283	2.830	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2nccs2)cc1	ZINC000735228942	574316042	/nfs/dbraw/zinc/31/60/42/574316042.db2.gz	LUDHCQNXOFTQFP-AATRIKPKSA-N	-1	0	273.313	2.666	20	30		CFEDRM
Cc1ccccc1C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000725860140	574335712	/nfs/dbraw/zinc/33/57/12/574335712.db2.gz	XSYAZHNNXBHKFS-UHFFFAOYSA-N	-1	0	295.367	2.876	20	30		CFEDRM
N#Cc1cccc(COC(=O)c2c(F)cc([O-])cc2F)c1	ZINC000735951503	574343702	/nfs/dbraw/zinc/34/37/02/574343702.db2.gz	YXCYCMLWTBSAGV-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
C=CC1CCN(C(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)CC1	ZINC000736095765	574351150	/nfs/dbraw/zinc/35/11/50/574351150.db2.gz	BBOWDMZRCFHPCO-UHFFFAOYSA-N	-1	0	290.363	2.622	20	30		CFEDRM
C=CCCC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1	ZINC000736098097	574351250	/nfs/dbraw/zinc/35/12/50/574351250.db2.gz	RRFFKYWODRKBNO-UHFFFAOYSA-N	-1	0	291.332	2.603	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736096386	574351270	/nfs/dbraw/zinc/35/12/70/574351270.db2.gz	MTWWKVHQRWWWAO-VIFPVBQESA-N	-1	0	263.297	2.863	20	30		CFEDRM
C=CCCC(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000736098196	574351289	/nfs/dbraw/zinc/35/12/89/574351289.db2.gz	VKCOQMFFGJOHAU-UHFFFAOYSA-N	-1	0	252.241	2.533	20	30		CFEDRM
C=CCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000736098247	574351318	/nfs/dbraw/zinc/35/13/18/574351318.db2.gz	YAZWNJRNYFCEIG-UHFFFAOYSA-N	-1	0	254.669	2.910	20	30		CFEDRM
C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736122174	574351862	/nfs/dbraw/zinc/35/18/62/574351862.db2.gz	WXNDPTMNWYTKLR-WKTRQSJXSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736122176	574351919	/nfs/dbraw/zinc/35/19/19/574351919.db2.gz	WXNDPTMNWYTKLR-WWRUEGTHSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C=C(Cl)CNC(=O)C(F)(F)c1ccc(F)cc1	ZINC000736246167	574357525	/nfs/dbraw/zinc/35/75/25/574357525.db2.gz	OJTSRKQPLPHSSR-UHFFFAOYSA-N	-1	0	263.646	2.786	20	30		CFEDRM
Cc1cc(F)ccc1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000750939161	574364126	/nfs/dbraw/zinc/36/41/26/574364126.db2.gz	WHRXEVCTAHJYQX-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
Cc1ncsc1C=NNc1ccccc1C(=O)[O-]	ZINC000743430686	574364188	/nfs/dbraw/zinc/36/41/88/574364188.db2.gz	NVDBBQIPGZJKAV-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2ccc(Cl)nc2)cc1[O-]	ZINC000743449984	574364994	/nfs/dbraw/zinc/36/49/94/574364994.db2.gz	JJCHVPBBATXWKC-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1ccccc1C(=O)[O-]	ZINC000751522354	574378280	/nfs/dbraw/zinc/37/82/80/574378280.db2.gz	VSRAXKKZVUAIJH-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1	ZINC000753604410	574406141	/nfs/dbraw/zinc/40/61/41/574406141.db2.gz	DWAHELGKRXRYOB-UHFFFAOYSA-N	-1	0	295.404	2.971	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(O)cc(O)c1	ZINC000753692240	574408183	/nfs/dbraw/zinc/40/81/83/574408183.db2.gz	QQFNKMNWEVFYSY-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000087844949	597191068	/nfs/dbraw/zinc/19/10/68/597191068.db2.gz	APCOROHMAIFGIV-UHFFFAOYSA-N	-1	0	274.320	2.520	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1	ZINC000817681020	597329208	/nfs/dbraw/zinc/32/92/08/597329208.db2.gz	FXPSNUSABZBYCB-UHFFFAOYSA-N	-1	0	288.347	2.744	20	30		CFEDRM
CCOc1cccc(/C=N\[C@H](C(=O)[O-])[C@@H](C)CC)c1O	ZINC000820387443	597393980	/nfs/dbraw/zinc/39/39/80/597393980.db2.gz	QWUUKJCTKMPMSR-HMTMDPJUSA-N	-1	0	279.336	2.709	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2cccc3cccnc32)CC1	ZINC000814803829	598097109	/nfs/dbraw/zinc/09/71/09/598097109.db2.gz	NMJRRVQVFFLXJU-UHFFFAOYSA-N	-1	0	297.358	2.955	20	30		CFEDRM
N#CCOc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000821324894	598138040	/nfs/dbraw/zinc/13/80/40/598138040.db2.gz	XEKAULQRTDJOQP-UHFFFAOYSA-N	-1	0	296.282	2.539	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cncc(F)c2)c1	ZINC000126435399	598201580	/nfs/dbraw/zinc/20/15/80/598201580.db2.gz	IZZJEHRPFQCBPM-SNAWJCMRSA-N	-1	0	271.247	2.815	20	30		CFEDRM
CC(C)C[C@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000263394597	598208310	/nfs/dbraw/zinc/20/83/10/598208310.db2.gz	HDXPBGIHBRLUIN-JTQLQIEISA-N	-1	0	267.716	2.518	20	30		CFEDRM
CC(C)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820057430	598221679	/nfs/dbraw/zinc/22/16/79/598221679.db2.gz	AYZXTIZBKXZAHW-HNNXBMFYSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C[C@@H](CCC1CCCCC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095485	598227691	/nfs/dbraw/zinc/22/76/91/598227691.db2.gz	FHKGRHINCKKXNM-LRDDRELGSA-N	-1	0	294.395	2.856	20	30		CFEDRM
CCc1ccc(CC)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820479909	598229273	/nfs/dbraw/zinc/22/92/73/598229273.db2.gz	GULYCXIJUDVAAS-INIZCTEOSA-N	-1	0	288.347	2.754	20	30		CFEDRM
C=CC1CCN(C(=O)NCCCCCCC(=O)[O-])CC1	ZINC000706493444	600410144	/nfs/dbraw/zinc/41/01/44/600410144.db2.gz	GWRIUUQVFDTGLN-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1cc(C#N)ccc1F	ZINC000090097422	600586402	/nfs/dbraw/zinc/58/64/02/600586402.db2.gz	VODVHPGPPRDTEY-MRVPVSSYSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C/C(=C/CSc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000825793720	600729126	/nfs/dbraw/zinc/72/91/26/600729126.db2.gz	YNEZUWOIHGTTBZ-YWEYNIOJSA-N	-1	0	251.282	2.820	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2C)s1	ZINC000042316976	620644377	/nfs/dbraw/zinc/64/43/77/620644377.db2.gz	RLCVIEMVEUVDRC-UHFFFAOYSA-N	-1	0	285.346	2.651	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000111475928	600914554	/nfs/dbraw/zinc/91/45/54/600914554.db2.gz	DDIVHVMPYXKYKM-QWHCGFSZSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C=CCOc1ccc(OC(=O)c2ccc(C(=O)[O-])nc2)cc1	ZINC000825698451	600932574	/nfs/dbraw/zinc/93/25/74/600932574.db2.gz	IIYBDFJQMAKKDU-UHFFFAOYSA-N	-1	0	299.282	2.564	20	30		CFEDRM
C/C(=C/COc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000214614992	601098140	/nfs/dbraw/zinc/09/81/40/601098140.db2.gz	YEEXDDIRDURPPU-YWEYNIOJSA-N	-1	0	251.669	2.621	20	30		CFEDRM
CC(C)(C#N)CCCN1C[C@@H](C(=O)[O-])Oc2ccccc21	ZINC000826072646	601112299	/nfs/dbraw/zinc/11/22/99/601112299.db2.gz	ZDLZYENPLOBVGE-AWEZNQCLSA-N	-1	0	288.347	2.669	20	30		CFEDRM
C=C(C)[C@H]1CC=C(COC(=O)CCCNC(=O)[O-])CC1	ZINC000825642577	601194535	/nfs/dbraw/zinc/19/45/35/601194535.db2.gz	XRVGEHAJQYPJMP-ZDUSSCGKSA-N	-1	0	281.352	2.880	20	30		CFEDRM
Cc1csc(C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000832988854	601235775	/nfs/dbraw/zinc/23/57/75/601235775.db2.gz	KTBCNCFGYOTLFI-GMTAPVOTSA-N	-1	0	292.360	2.519	20	30		CFEDRM
Cc1cc(C)c2c(c1)OC/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832874629	601331622	/nfs/dbraw/zinc/33/16/22/601331622.db2.gz	OIDUIZACHZFREP-YRNVUSSQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
CCC/C(C)=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209396	601350939	/nfs/dbraw/zinc/35/09/39/601350939.db2.gz	VNPKNMNQPCFICN-SHQCLWGWSA-N	-1	0	287.315	2.974	20	30		CFEDRM
CC(C)=C(C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826642462	601355383	/nfs/dbraw/zinc/35/53/83/601355383.db2.gz	ZUDKGNPZLUATCX-CYBMUJFWSA-N	-1	0	273.288	2.583	20	30		CFEDRM
COc1ccc(O)c(C=Nc2ccccc2CC(=O)[O-])c1	ZINC000818603442	601365400	/nfs/dbraw/zinc/36/54/00/601365400.db2.gz	QXJPMOCLTWOMBY-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
CCCCCCCC(=O)NC1(CC(=O)[O-])CCC1	ZINC000123330030	601432924	/nfs/dbraw/zinc/43/29/24/601432924.db2.gz	VDNBFGKYDOCCHF-UHFFFAOYSA-N	-1	0	255.358	2.861	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000825671104	601436771	/nfs/dbraw/zinc/43/67/71/601436771.db2.gz	CJJYVRLTMQAHIP-CYBMUJFWSA-N	-1	0	279.311	2.814	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)c(F)c2)[nH]1	ZINC000833095406	601446048	/nfs/dbraw/zinc/44/60/48/601446048.db2.gz	SQQISAOMFSOLAJ-ZZXKWVIFSA-N	-1	0	277.226	2.887	20	30		CFEDRM
C=CCCCC(=O)Oc1ccc(C(=O)[O-])cc1OC	ZINC000825671240	601447843	/nfs/dbraw/zinc/44/78/43/601447843.db2.gz	IGBQBXULAZEELO-UHFFFAOYSA-N	-1	0	264.277	2.655	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000825671575	601449044	/nfs/dbraw/zinc/44/90/44/601449044.db2.gz	VEVHPXHNFDFUMS-UHFFFAOYSA-N	-1	0	277.320	2.753	20	30		CFEDRM
CC(C)c1ccc(NC(=O)c2cc(C#N)c[nH]2)c(C(=O)[O-])c1	ZINC000827125155	601450825	/nfs/dbraw/zinc/45/08/25/601450825.db2.gz	YHUIWICUFYHZMO-UHFFFAOYSA-N	-1	0	297.314	2.960	20	30		CFEDRM
C=CCCCc1nc(COc2cccc(C(=O)[O-])c2)no1	ZINC000825671509	601472339	/nfs/dbraw/zinc/47/23/39/601472339.db2.gz	RUWAULBMOOHZOA-UHFFFAOYSA-N	-1	0	288.303	2.856	20	30		CFEDRM
Cc1ccc(NC(=O)c2cc(C#N)cs2)c(C(=O)[O-])c1	ZINC000832948310	601534712	/nfs/dbraw/zinc/53/47/12/601534712.db2.gz	ZGJFPGPSYZALEU-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000158824739	601757813	/nfs/dbraw/zinc/75/78/13/601757813.db2.gz	XPIOOJOZLFWKPU-SNVBAGLBSA-N	-1	0	276.336	2.745	20	30		CFEDRM
COc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832514536	601791137	/nfs/dbraw/zinc/79/11/37/601791137.db2.gz	GCKAWXDFPUNSLT-AATRIKPKSA-N	-1	0	271.272	2.618	20	30		CFEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)C2	ZINC000832962033	601793035	/nfs/dbraw/zinc/79/30/35/601793035.db2.gz	OQEKZQYDUIAKLE-XGICHPGQSA-N	-1	0	267.284	2.844	20	30		CFEDRM
CCc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)o1	ZINC000830229546	601793795	/nfs/dbraw/zinc/79/37/95/601793795.db2.gz	XKBQJPBQSYHQRQ-HWKANZROSA-N	-1	0	259.261	2.764	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cc(F)cc(F)c2[O-])[C@@H]1C#N	ZINC000935662832	649927345	/nfs/dbraw/zinc/92/73/45/649927345.db2.gz	LPJDQXBRDFSBKQ-GFCCVEGCSA-N	-1	0	294.301	2.825	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2cccc(C(F)(F)F)n2)c[nH]1	ZINC000814853740	601797431	/nfs/dbraw/zinc/79/74/31/601797431.db2.gz	VQQHOPSNFHVCGS-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
N#Cc1cc(F)ccc1CN1CCC(CCC(=O)[O-])CC1	ZINC000071264025	601842532	/nfs/dbraw/zinc/84/25/32/601842532.db2.gz	MPBOGFRGSRVIRJ-UHFFFAOYSA-N	-1	0	290.338	2.774	20	30		CFEDRM
COc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832573210	601851811	/nfs/dbraw/zinc/85/18/11/601851811.db2.gz	SMQFVLHSGPNGDW-VQHVLOKHSA-N	-1	0	283.283	2.544	20	30		CFEDRM
CCN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)c1ccc(C#N)cc1	ZINC000829590850	602119844	/nfs/dbraw/zinc/11/98/44/602119844.db2.gz	HHJHWLRATSDDDJ-VXGBXAGGSA-N	-1	0	288.347	2.579	20	30		CFEDRM
CC(C)c1csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n1	ZINC000827240773	602195373	/nfs/dbraw/zinc/19/53/73/602195373.db2.gz	NRGBWLYCLJEMMZ-IUCAKERBSA-N	-1	0	280.349	2.554	20	30		CFEDRM
C=C(C)[C@H]1CC=C(COC(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000825642343	602195509	/nfs/dbraw/zinc/19/55/09/602195509.db2.gz	PWCIWGGJBVPPBO-YPMHNXCESA-N	-1	0	266.337	2.943	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823490650	602954859	/nfs/dbraw/zinc/95/48/59/602954859.db2.gz	IQEFIXQSEYKOIH-OBJOEFQTSA-N	-1	0	290.363	2.712	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(OC(=O)C2(C#N)CCCC2)cc1	ZINC000827900490	603042433	/nfs/dbraw/zinc/04/24/33/603042433.db2.gz	QTSXZIDRGBDVNU-UHFFFAOYSA-N	-1	0	288.303	2.790	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)C#N)cc1	ZINC000825418697	603182589	/nfs/dbraw/zinc/18/25/89/603182589.db2.gz	VUTGWWNPWQTTRJ-VIFPVBQESA-N	-1	0	275.308	2.503	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2cc(F)cc(F)c2)cn1	ZINC000832841033	603488984	/nfs/dbraw/zinc/48/89/84/603488984.db2.gz	PSGNXKBUFOEUHY-UHFFFAOYSA-N	-1	0	292.245	2.896	20	30		CFEDRM
CCC(CC)(CNc1ccc(F)cc1C#N)NC(=O)[O-]	ZINC000826566263	603523935	/nfs/dbraw/zinc/52/39/35/603523935.db2.gz	CVXKDDKAGTTWOO-UHFFFAOYSA-N	-1	0	279.315	2.936	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CC)C(=O)[O-])c1	ZINC000900355979	620663985	/nfs/dbraw/zinc/66/39/85/620663985.db2.gz	XRFGEDLNCLAXQL-LBPRGKRZSA-N	-1	0	262.309	2.704	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823474781	603822170	/nfs/dbraw/zinc/82/21/70/603822170.db2.gz	QZPVOPMCQROAES-AGUYFDCRSA-N	-1	0	294.395	2.722	20	30		CFEDRM
CC#CCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823522213	603852642	/nfs/dbraw/zinc/85/26/42/603852642.db2.gz	WRCMOAFTKDOSFW-UHFFFAOYSA-N	-1	0	267.668	2.610	20	30		CFEDRM
C=C1CCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])CC1	ZINC000823486493	603947445	/nfs/dbraw/zinc/94/74/45/603947445.db2.gz	XKMUDDNYUKFEEJ-ZIAGYGMSSA-N	-1	0	294.395	2.772	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000823496286	603990794	/nfs/dbraw/zinc/99/07/94/603990794.db2.gz	HHIKWAVWIILZFD-KBPBESRZSA-N	-1	0	294.395	2.866	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-]	ZINC000823490889	604046298	/nfs/dbraw/zinc/04/62/98/604046298.db2.gz	NDBGROFUIFRTFF-GXTWGEPZSA-N	-1	0	294.395	2.792	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823490528	604069504	/nfs/dbraw/zinc/06/95/04/604069504.db2.gz	FORUQCFGRUNDHZ-JSGCOSHPSA-N	-1	0	294.395	2.650	20	30		CFEDRM
Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1NC(=O)[O-]	ZINC000830206300	604090979	/nfs/dbraw/zinc/09/09/79/604090979.db2.gz	YZBBXHROQUJCNZ-LBPRGKRZSA-N	-1	0	289.335	2.753	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823473540	604303060	/nfs/dbraw/zinc/30/30/60/604303060.db2.gz	GCJOXBYIORXLIV-KBPBESRZSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=CCN(C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)C(C)C	ZINC000823500963	604338352	/nfs/dbraw/zinc/33/83/52/604338352.db2.gz	OCYHJEGCOXBHHE-KGLIPLIRSA-N	-1	0	296.411	2.826	20	30		CFEDRM
C=C1CCN(C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823485675	604339440	/nfs/dbraw/zinc/33/94/40/604339440.db2.gz	IGNWTKPRFUZENF-ZIAGYGMSSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C=CCCOC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823496537	604413627	/nfs/dbraw/zinc/41/36/27/604413627.db2.gz	KZKACGSGFLHNQQ-RYUDHWBXSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)OCC	ZINC000833367966	604535603	/nfs/dbraw/zinc/53/56/03/604535603.db2.gz	YSLWQNJZEKFAOR-ZDUSSCGKSA-N	-1	0	277.320	2.695	20	30		CFEDRM
C#Cc1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1	ZINC000833366774	604537591	/nfs/dbraw/zinc/53/75/91/604537591.db2.gz	CWVJMPSDKFAOMJ-UHFFFAOYSA-N	-1	0	276.295	2.850	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])OCC	ZINC000819706334	604562032	/nfs/dbraw/zinc/56/20/32/604562032.db2.gz	XGDCPMWTEHCCHQ-AWEZNQCLSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)OCC	ZINC000833367099	604563345	/nfs/dbraw/zinc/56/33/45/604563345.db2.gz	IPLSPZPIUUEUKY-CYBMUJFWSA-N	-1	0	297.395	2.652	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000832849945	604566314	/nfs/dbraw/zinc/56/63/14/604566314.db2.gz	UQASOOPBHZKJIS-VXGBXAGGSA-N	-1	0	286.331	2.696	20	30		CFEDRM
CC(C)(C)/C=C\C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833422601	604582332	/nfs/dbraw/zinc/58/23/32/604582332.db2.gz	JQKWRTMSMHPQIR-FPLPWBNLSA-N	-1	0	287.315	2.902	20	30		CFEDRM
CC(C)[C@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833468968	604583122	/nfs/dbraw/zinc/58/31/22/604583122.db2.gz	OCHHBQWIMGSQGG-JTQLQIEISA-N	-1	0	275.304	2.592	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])s1)OCC	ZINC000833367434	604606570	/nfs/dbraw/zinc/60/65/70/604606570.db2.gz	LGVLTLCASWQSNK-VIFPVBQESA-N	-1	0	283.349	2.756	20	30		CFEDRM
C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C)S1	ZINC000833629702	604610976	/nfs/dbraw/zinc/61/09/76/604610976.db2.gz	LLRQKJOELIZHLI-QWRGUYRKSA-N	-1	0	290.388	2.582	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cnc3ccccn23)cc1	ZINC000833309991	604630553	/nfs/dbraw/zinc/63/05/53/604630553.db2.gz	KWPLCMYXMKYADZ-HJWRWDBZSA-N	-1	0	292.294	2.929	20	30		CFEDRM
CC(=NN=C(C)[C@H](C)CCCCC(=O)[O-])c1cnccn1	ZINC000814861579	604640828	/nfs/dbraw/zinc/64/08/28/604640828.db2.gz	QUFQRJICEOBXOJ-LLVKDONJSA-N	-1	0	290.367	2.943	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(NCc2ccc(C#N)o2)cc1	ZINC000830519173	604643425	/nfs/dbraw/zinc/64/34/25/604643425.db2.gz	NXGOUUMRGDDJLQ-UHFFFAOYSA-N	-1	0	271.276	2.878	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000776686376	604650755	/nfs/dbraw/zinc/65/07/55/604650755.db2.gz	RGVHJFBTQXEZDN-INIZCTEOSA-N	-1	0	293.322	2.879	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)Cc2cccc(C(=O)[O-])c2)c1	ZINC000833367973	604739305	/nfs/dbraw/zinc/73/93/05/604739305.db2.gz	CJOBZSIGRAIEGK-UHFFFAOYSA-N	-1	0	293.322	2.572	20	30		CFEDRM
C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000833360890	604883677	/nfs/dbraw/zinc/88/36/77/604883677.db2.gz	RBWZRFGQDHYYPW-INIZCTEOSA-N	-1	0	294.306	2.786	20	30		CFEDRM
CC(N=Nc1ncc(F)cn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814889573	604901317	/nfs/dbraw/zinc/90/13/17/604901317.db2.gz	OPTPKUWURPBUQV-SECBINFHSA-N	-1	0	282.319	2.685	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823496847	604941777	/nfs/dbraw/zinc/94/17/77/604941777.db2.gz	QELGODQIYBPKKV-CYBMUJFWSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])OCC	ZINC000833366693	604955643	/nfs/dbraw/zinc/95/56/43/604955643.db2.gz	CIWHOATWAJJHMG-HEHGZKQESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833373373	604991680	/nfs/dbraw/zinc/99/16/80/604991680.db2.gz	MOTXACDRCPBBPP-WDEREUQCSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000833373002	604991885	/nfs/dbraw/zinc/99/18/85/604991885.db2.gz	CUFIPPKFHGDDET-QMMMGPOBSA-N	-1	0	265.309	2.841	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000833362736	605013865	/nfs/dbraw/zinc/01/38/65/605013865.db2.gz	HNBMTIQZHQTEAY-AWEZNQCLSA-N	-1	0	293.750	2.776	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2ccccc2CC(=O)[O-])c1	ZINC000833368948	605066001	/nfs/dbraw/zinc/06/60/01/605066001.db2.gz	XJVQHRSLDQBFKG-UHFFFAOYSA-N	-1	0	279.339	2.931	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833373707	605076335	/nfs/dbraw/zinc/07/63/35/605076335.db2.gz	ZBDXJTLBKLOHLQ-NEPJUHHUSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=C[C@@H](CC)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833370710	605086182	/nfs/dbraw/zinc/08/61/82/605086182.db2.gz	GTEQPIKJCJLHLX-LBPRGKRZSA-N	-1	0	262.305	2.825	20	30		CFEDRM
C=C[C@@H](CC)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833370557	605086343	/nfs/dbraw/zinc/08/63/43/605086343.db2.gz	CZJPBBZSMGXSRS-ZDUSSCGKSA-N	-1	0	262.305	2.825	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1cncc(C(=O)[O-])c1	ZINC000833375594	605099899	/nfs/dbraw/zinc/09/98/99/605099899.db2.gz	AMRAXZOCQQJCSD-UHFFFAOYSA-N	-1	0	296.326	2.608	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCOC1	ZINC000833386734	605156190	/nfs/dbraw/zinc/15/61/90/605156190.db2.gz	WHPAQVMKUQLWFM-SECBINFHSA-N	-1	0	282.727	2.863	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1ccccc1NC(=O)[O-]	ZINC000833406719	605159199	/nfs/dbraw/zinc/15/91/99/605159199.db2.gz	DYETVTAITOMRCS-UHFFFAOYSA-N	-1	0	276.292	2.873	20	30		CFEDRM
C#CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000070119812	605167166	/nfs/dbraw/zinc/16/71/66/605167166.db2.gz	OJNXJKGHDBIPFH-UHFFFAOYSA-N	-1	0	280.711	2.572	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000833428026	605230588	/nfs/dbraw/zinc/23/05/88/605230588.db2.gz	NYFJHWTZAOCWFX-CYBMUJFWSA-N	-1	0	289.331	2.533	20	30		CFEDRM
C#CCCCCC(=O)O[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000833362682	605236098	/nfs/dbraw/zinc/23/60/98/605236098.db2.gz	FEDJVMWBIZHMLQ-LLVKDONJSA-N	-1	0	254.326	2.613	20	30		CFEDRM
C=CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccncc1	ZINC000833371162	605261276	/nfs/dbraw/zinc/26/12/76/605261276.db2.gz	PNWYOJISUPGNFR-CYBMUJFWSA-N	-1	0	290.363	2.706	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000263527676	605275712	/nfs/dbraw/zinc/27/57/12/605275712.db2.gz	KWKLFJBCHLHRJA-GFCCVEGCSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCCOC(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823497164	605307816	/nfs/dbraw/zinc/30/78/16/605307816.db2.gz	XHOGRMLLPCQDKK-UHFFFAOYSA-N	-1	0	263.293	2.680	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC000833551566	605340256	/nfs/dbraw/zinc/34/02/56/605340256.db2.gz	PLALHCWRYLGYLT-ZDUSSCGKSA-N	-1	0	293.348	2.604	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(F)cc2C(=O)[O-])C1	ZINC000833550854	605416545	/nfs/dbraw/zinc/41/65/45/605416545.db2.gz	FAQBELLDINFHTD-HNNXBMFYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=CC1CCN(C(=O)NCC2(C(=O)[O-])CCCCC2)CC1	ZINC000833371916	605436619	/nfs/dbraw/zinc/43/66/19/605436619.db2.gz	WYENNBJQZWWVBV-UHFFFAOYSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1	ZINC000833551147	605477928	/nfs/dbraw/zinc/47/79/28/605477928.db2.gz	HBKONNUYUOQVTK-HNNXBMFYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])N=Nc1cccnn1	ZINC000824760100	605477973	/nfs/dbraw/zinc/47/79/73/605477973.db2.gz	SBTFMZYTIDNDAL-GFCCVEGCSA-N	-1	0	291.355	2.577	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c[nH]c(C#N)c1	ZINC000833905978	605547855	/nfs/dbraw/zinc/54/78/55/605547855.db2.gz	GFHYVRYBGNYNBF-UHFFFAOYSA-N	-1	0	284.275	2.537	20	30		CFEDRM
C=C(C)COC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823480724	605556722	/nfs/dbraw/zinc/55/67/22/605556722.db2.gz	MEZFSCVNLURPCL-GFCCVEGCSA-N	-1	0	263.293	2.505	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823473358	605583040	/nfs/dbraw/zinc/58/30/40/605583040.db2.gz	DDELFPSPANVHCJ-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
N#CCCN(Cc1cccc2c1N(C(=O)[O-])CC2)CC1CC1	ZINC000833965193	605587587	/nfs/dbraw/zinc/58/75/87/605587587.db2.gz	CUTWZTAWGBSBEE-UHFFFAOYSA-N	-1	0	299.374	2.853	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cn1	ZINC000770599181	605593597	/nfs/dbraw/zinc/59/35/97/605593597.db2.gz	OYELFDBDDMDZQO-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccncc1	ZINC000833387146	605594563	/nfs/dbraw/zinc/59/45/63/605594563.db2.gz	QEYXAJMLFKXEKC-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
N#Cc1ccc2nc(NC[C@@H]3CCCN3C(=O)[O-])ccc2c1	ZINC000833977125	605767786	/nfs/dbraw/zinc/76/77/86/605767786.db2.gz	OJNVXOXQLXBUPM-ZDUSSCGKSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000833973012	605949078	/nfs/dbraw/zinc/94/90/78/605949078.db2.gz	FTVBRLSFAAMHIL-JTQLQIEISA-N	-1	0	293.754	2.696	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@H](CNC(=O)[O-])C1	ZINC000833973013	605949352	/nfs/dbraw/zinc/94/93/52/605949352.db2.gz	FTVBRLSFAAMHIL-SNVBAGLBSA-N	-1	0	293.754	2.696	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cnc3ccccc3n2)CC1	ZINC000834097196	605992208	/nfs/dbraw/zinc/99/22/08/605992208.db2.gz	SXYANTOCMRDCMP-UHFFFAOYSA-N	-1	0	299.334	2.562	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C#N)nc1	ZINC000833906730	606006095	/nfs/dbraw/zinc/00/60/95/606006095.db2.gz	ZACLQUXIYOMPMP-UHFFFAOYSA-N	-1	0	296.286	2.604	20	30		CFEDRM
CCCCCCCCNC(=O)N1CCC(NC(=O)[O-])CC1	ZINC000833853040	606021820	/nfs/dbraw/zinc/02/18/20/606021820.db2.gz	MQGBQSLRSWDRGL-UHFFFAOYSA-N	-1	0	299.415	2.789	20	30		CFEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)C2CCC2)o1	ZINC000819783229	606165563	/nfs/dbraw/zinc/16/55/63/606165563.db2.gz	TUBLYJRKJJLPPL-UHFFFAOYSA-N	-1	0	289.343	2.566	20	30		CFEDRM
CC[C@@H](CNc1ccc(C#N)cc1Br)C(=O)[O-]	ZINC000213269521	623931782	/nfs/dbraw/zinc/93/17/82/623931782.db2.gz	UMRHKVYAJVFREY-VIFPVBQESA-N	-1	0	297.152	2.843	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC000044765637	618029555	/nfs/dbraw/zinc/02/95/55/618029555.db2.gz	UCMJRYFXLRVGBI-UHFFFAOYSA-N	-1	0	272.304	2.797	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1	ZINC000049418086	617604119	/nfs/dbraw/zinc/60/41/19/617604119.db2.gz	HFWOFMAJKPFJDW-NSHDSACASA-N	-1	0	269.366	2.875	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CC1	ZINC000049501583	617607032	/nfs/dbraw/zinc/60/70/32/617607032.db2.gz	GSGFCSWMMWSJHH-UHFFFAOYSA-N	-1	0	277.345	2.670	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514253	617608052	/nfs/dbraw/zinc/60/80/52/617608052.db2.gz	JCZIBHWKVCUENH-KOLCDFICSA-N	-1	0	259.371	2.509	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1ccc([O-])c(Cl)c1	ZINC000890562240	617654743	/nfs/dbraw/zinc/65/47/43/617654743.db2.gz	USZNCVTXAJMPNM-SNVBAGLBSA-N	-1	0	251.713	2.836	20	30		CFEDRM
Cc1ncc(/C=C\C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000254942423	617693050	/nfs/dbraw/zinc/69/30/50/617693050.db2.gz	OABSLORJYODIKP-HYXAFXHYSA-N	-1	0	285.328	2.681	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)s2)C(=O)O1	ZINC000254966742	617699832	/nfs/dbraw/zinc/69/98/32/617699832.db2.gz	YMPYRWZEGLTCQB-DTRQGZQOSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NOC/C=C/Cl)c1)C(=O)[O-]	ZINC000811670635	617711466	/nfs/dbraw/zinc/71/14/66/617711466.db2.gz	XIEIAZDPCJQVGV-HEYGRTLMSA-N	-1	0	283.711	2.642	20	30		CFEDRM
N#Cc1cc(-c2cnc(C3CC3)o2)ccc1CC(=O)[O-]	ZINC000901049102	620747000	/nfs/dbraw/zinc/74/70/00/620747000.db2.gz	MHVVWCQCJIBWJO-UHFFFAOYSA-N	-1	0	268.272	2.718	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000890655498	617741677	/nfs/dbraw/zinc/74/16/77/617741677.db2.gz	NROSQDWZDRJXGT-NSHDSACASA-N	-1	0	286.356	2.744	20	30		CFEDRM
C=CCc1ccc(-c2c(C(=O)[O-])nn3c2CCC3)cc1	ZINC000901087312	620751288	/nfs/dbraw/zinc/75/12/88/620751288.db2.gz	NOVZITNVAWQTEM-UHFFFAOYSA-N	-1	0	268.316	2.923	20	30		CFEDRM
COc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000022726966	617797871	/nfs/dbraw/zinc/79/78/71/617797871.db2.gz	XMUJCYAHZQPHHG-MHWRWJLKSA-N	-1	0	286.287	2.928	20	30		CFEDRM
N#CC1(C(=O)NCc2cccc(Cl)c2O)CC2(CC2)C1	ZINC000890762892	617842273	/nfs/dbraw/zinc/84/22/73/617842273.db2.gz	KSNFIOPZOBXEGT-UHFFFAOYSA-N	-1	0	290.750	2.746	20	30		CFEDRM
CCCSCC(C)=NNc1cnnc([O-])c1Cl	ZINC000901164937	620760510	/nfs/dbraw/zinc/76/05/10/620760510.db2.gz	UTBQDAFMBDLVPZ-UHFFFAOYSA-N	-1	0	274.777	2.767	20	30		CFEDRM
O=C(/C=C\c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255469917	617961455	/nfs/dbraw/zinc/96/14/55/617961455.db2.gz	VWOHHZWBDTZFBY-HYXAFXHYSA-N	-1	0	270.244	2.592	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)[N-]OCCOc1ccccc1	ZINC000889446667	617974976	/nfs/dbraw/zinc/97/49/76/617974976.db2.gz	PNGNETYYEFLCNL-OAHLLOKOSA-N	-1	0	263.337	2.716	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccs2)c1	ZINC000042244283	618013628	/nfs/dbraw/zinc/01/36/28/618013628.db2.gz	XIZIVQZXFRFWAT-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255194335	618076622	/nfs/dbraw/zinc/07/66/22/618076622.db2.gz	DLGOXROPSBOMTK-XQRVVYSFSA-N	-1	0	260.268	2.644	20	30		CFEDRM
CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000155694450	618135435	/nfs/dbraw/zinc/13/54/35/618135435.db2.gz	LUFDDZIJUNAICJ-NSHDSACASA-N	-1	0	288.347	2.988	20	30		CFEDRM
Cc1oc(C=NOCCC(F)(F)F)cc1C(=O)[O-]	ZINC000901222997	620773212	/nfs/dbraw/zinc/77/32/12/620773212.db2.gz	XJXPDXKZICJKEG-UHFFFAOYSA-N	-1	0	265.187	2.589	20	30		CFEDRM
C[C@@H]1C[C@@H](NN=Cc2cccc(Cl)c2[O-])C[C@H](C)O1	ZINC000901310383	620782440	/nfs/dbraw/zinc/78/24/40/620782440.db2.gz	KEZHAJCGDIKFDC-PEGIJTEDSA-N	-1	0	282.771	2.925	20	30		CFEDRM
CC(C)CCO[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176818140	618205277	/nfs/dbraw/zinc/20/52/77/618205277.db2.gz	UHIVQIPLOCOQPV-LLVKDONJSA-N	-1	0	276.336	2.654	20	30		CFEDRM
Cc1cccnc1C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000255753702	618276023	/nfs/dbraw/zinc/27/60/23/618276023.db2.gz	BSQDZDXUJZCERP-NVNXTCNLSA-N	-1	0	271.276	2.623	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)CC1	ZINC000893299774	618278270	/nfs/dbraw/zinc/27/82/70/618278270.db2.gz	ZDWLNGIYZUGPHQ-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(C)C)cc1	ZINC000092462963	618344093	/nfs/dbraw/zinc/34/40/93/618344093.db2.gz	WEHCZNWWLWBXOA-UHFFFAOYSA-N	-1	0	261.321	2.523	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(-c3ccco3)on2)c1	ZINC000179731810	618345298	/nfs/dbraw/zinc/34/52/98/618345298.db2.gz	VIXQWZYHNPKKQS-UHFFFAOYSA-N	-1	0	295.254	2.764	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccccc1	ZINC000909452408	618350107	/nfs/dbraw/zinc/35/01/07/618350107.db2.gz	ZUTVHKQNHRXKRK-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
CCn1ncc(C(=O)C(C#N)c2ccccn2)c1C1CC1	ZINC000892483653	618362974	/nfs/dbraw/zinc/36/29/74/618362974.db2.gz	SOSMJBYYUMXUGG-LBPRGKRZSA-N	-1	0	280.331	2.665	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909462805	618365766	/nfs/dbraw/zinc/36/57/66/618365766.db2.gz	NLNQCPRUKAAMCJ-INIZCTEOSA-N	-1	0	275.348	2.646	20	30		CFEDRM
Cc1cscc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054434	618398325	/nfs/dbraw/zinc/39/83/25/618398325.db2.gz	JYHKEAXHACWGFR-UHFFFAOYSA-N	-1	0	273.379	2.634	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CSCCC(C)C	ZINC000066003118	618418288	/nfs/dbraw/zinc/41/82/88/618418288.db2.gz	ASHRCSJIZSTGQX-UHFFFAOYSA-N	-1	0	281.443	2.852	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000909505658	618466737	/nfs/dbraw/zinc/46/67/37/618466737.db2.gz	UWRDNZANWXKVCB-UHFFFAOYSA-N	-1	0	259.305	2.609	20	30		CFEDRM
CO[C@@H](C)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000726428789	618474503	/nfs/dbraw/zinc/47/45/03/618474503.db2.gz	FJLLQARRKGWQSA-DPVXPKBMSA-N	-1	0	286.715	2.798	20	30		CFEDRM
C#CCCCCC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000236421488	618621614	/nfs/dbraw/zinc/62/16/14/618621614.db2.gz	SZKSEQBBMICKRG-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN1CCCC[C@@H]1C	ZINC000853382079	618823482	/nfs/dbraw/zinc/82/34/82/618823482.db2.gz	RZZWGQRIXAGABX-LBPRGKRZSA-N	-1	0	252.358	2.882	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000909384800	619042021	/nfs/dbraw/zinc/04/20/21/619042021.db2.gz	MRSNWGONGLQVGB-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
Cc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000033917885	619119636	/nfs/dbraw/zinc/11/96/36/619119636.db2.gz	WQLBNCSKWISTFM-OVCLIPMQSA-N	-1	0	271.276	2.623	20	30		CFEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000067001113	619146749	/nfs/dbraw/zinc/14/67/49/619146749.db2.gz	FHCFKRYDGYMRKT-ANYFNZRUSA-N	-1	0	299.417	2.943	20	30		CFEDRM
CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000067000986	619147062	/nfs/dbraw/zinc/14/70/62/619147062.db2.gz	RTFBBACLCATGLB-JTQLQIEISA-N	-1	0	287.406	2.639	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCOCC2)n1	ZINC000112222384	625321889	/nfs/dbraw/zinc/32/18/89/625321889.db2.gz	HCGZLDJMPPAFPK-QAVQXKDTSA-N	-1	0	276.361	2.611	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)no1	ZINC000791432049	619319127	/nfs/dbraw/zinc/31/91/27/619319127.db2.gz	LGLKAQAAKLKLQL-DAXSKMNVSA-N	-1	0	257.245	2.577	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518314	619348406	/nfs/dbraw/zinc/34/84/06/619348406.db2.gz	IDEGCIJRYOZQLN-MDZDMXLPSA-N	-1	0	253.323	2.744	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)o1	ZINC000048518142	619348479	/nfs/dbraw/zinc/34/84/79/619348479.db2.gz	VUPNMUKLQZBDGP-UHFFFAOYSA-N	-1	0	285.346	2.651	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1	ZINC000048519404	619349967	/nfs/dbraw/zinc/34/99/67/619349967.db2.gz	WRZYVSPMLROUFB-UHFFFAOYSA-N	-1	0	289.356	2.830	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000793057242	619506359	/nfs/dbraw/zinc/50/63/59/619506359.db2.gz	MZFHVIRHYHFKIS-LBPRGKRZSA-N	-1	0	266.316	2.619	20	30		CFEDRM
CC[C@@H](NN=C1C[C@@H](C)c2c1cccc2C)C(=O)[O-]	ZINC000793072598	619506770	/nfs/dbraw/zinc/50/67/70/619506770.db2.gz	NXWHSAKDBDXQAC-ZYHUDNBSSA-N	-1	0	260.337	2.659	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1cc(F)ccc1F	ZINC000793081896	619508122	/nfs/dbraw/zinc/50/81/22/619508122.db2.gz	OONZAFVPWVCZKE-LBPRGKRZSA-N	-1	0	270.279	2.532	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(OCC(=O)[O-])cc1)C(C)(C)C	ZINC000793113897	619509691	/nfs/dbraw/zinc/50/96/91/619509691.db2.gz	HSMUPUCOGFGABC-LLVKDONJSA-N	-1	0	278.352	2.508	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000049135241	619535467	/nfs/dbraw/zinc/53/54/67/619535467.db2.gz	UKDYKODJDRPSBG-JTQLQIEISA-N	-1	0	292.360	2.640	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000909524540	619565006	/nfs/dbraw/zinc/56/50/06/619565006.db2.gz	BFEWGXSEXFCDGK-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000909527243	619586858	/nfs/dbraw/zinc/58/68/58/619586858.db2.gz	UJAAEAQPJYSWLP-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C1CCC(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])CC1	ZINC000909529670	619630359	/nfs/dbraw/zinc/63/03/59/619630359.db2.gz	PFEDHXQUEHMCCO-CZUORRHYSA-N	-1	0	279.380	2.883	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000840706218	619854249	/nfs/dbraw/zinc/85/42/49/619854249.db2.gz	HKJIUNSIRDLBBB-JCFSDQSXSA-N	-1	0	273.292	2.802	20	30		CFEDRM
CC1(C)OCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708558	619880357	/nfs/dbraw/zinc/88/03/57/619880357.db2.gz	YCEWPKWXKIFWNP-LYGDGENHSA-N	-1	0	298.726	2.940	20	30		CFEDRM
CO[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C12CCC2	ZINC000840709082	619886011	/nfs/dbraw/zinc/88/60/11/619886011.db2.gz	AWMGMAMAZKIQRM-BHJNDZAMSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CC(=NN[C@H]1CCSC1)c1cc(Cl)ccc1O	ZINC000808001303	619934556	/nfs/dbraw/zinc/93/45/56/619934556.db2.gz	JAKLBPNZXNCVDQ-JTQLQIEISA-N	-1	0	270.785	2.865	20	30		CFEDRM
C=C1CCC(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)CC1	ZINC000909583961	619965987	/nfs/dbraw/zinc/96/59/87/619965987.db2.gz	ZVWJJVGGRQXARD-CQSZACIVSA-N	-1	0	285.343	2.948	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909628350	620005027	/nfs/dbraw/zinc/00/50/27/620005027.db2.gz	HXWRIFJMIKPNNG-UHFFFAOYSA-N	-1	0	289.331	2.663	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000262813317	620080761	/nfs/dbraw/zinc/08/07/61/620080761.db2.gz	DONXAAPPKCKCQQ-LLVKDONJSA-N	-1	0	279.361	2.558	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000263419880	620143625	/nfs/dbraw/zinc/14/36/25/620143625.db2.gz	PCKPPDKYFHKQEZ-CPCISQLKSA-N	-1	0	267.716	2.518	20	30		CFEDRM
C=C(Br)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000070881849	625407919	/nfs/dbraw/zinc/40/79/19/625407919.db2.gz	CMQNOXIPOYZMMR-UHFFFAOYSA-N	-1	0	290.544	2.684	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1	ZINC000898281006	620364233	/nfs/dbraw/zinc/36/42/33/620364233.db2.gz	NOADNVIWAKKGIE-IUODEOHRSA-N	-1	0	274.364	2.978	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCOC23CCCC3)c1	ZINC000899231444	620533697	/nfs/dbraw/zinc/53/36/97/620533697.db2.gz	DFNHJVARTXDIJN-KWZJRMENSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000899296461	620541409	/nfs/dbraw/zinc/54/14/09/620541409.db2.gz	XLRVBSCFQHDYCP-GFCCVEGCSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000899298417	620542759	/nfs/dbraw/zinc/54/27/59/620542759.db2.gz	LYEYAEDXGYYBAI-NSHDSACASA-N	-1	0	261.321	2.603	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncc(Cl)cc2Cl)c1=O	ZINC000899346260	620547149	/nfs/dbraw/zinc/54/71/49/620547149.db2.gz	HTSHNGWJWWBEEG-SECBINFHSA-N	-1	0	282.130	2.750	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2cc(C(F)(F)F)ccn2)[n-]1	ZINC000899351988	620547596	/nfs/dbraw/zinc/54/75/96/620547596.db2.gz	WGWMKKQQEDRQQX-UHFFFAOYSA-N	-1	0	281.237	2.607	20	30		CFEDRM
O=C(/C=C\c1cnn(C2CCC2)c1)c1ccc(O)cc1[O-]	ZINC000899362557	620553684	/nfs/dbraw/zinc/55/36/84/620553684.db2.gz	XBAZFBSHTDKTOA-DAXSKMNVSA-N	-1	0	284.315	2.915	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000899538725	620579891	/nfs/dbraw/zinc/57/98/91/620579891.db2.gz	ZTYNTRWWKXGFTO-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899773927	620598810	/nfs/dbraw/zinc/59/88/10/620598810.db2.gz	AKOXNQINXBXUSW-BLLLJJGKSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C#Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])c1	ZINC000899797193	620600036	/nfs/dbraw/zinc/60/00/36/620600036.db2.gz	ZEXNFVMMQDKPET-YRWGSWDYSA-N	-1	0	295.338	2.519	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899826275	620603704	/nfs/dbraw/zinc/60/37/04/620603704.db2.gz	UTLMLTCNSVOLAC-MELADBBJSA-N	-1	0	279.380	2.833	20	30		CFEDRM
C=C(C)CN(C)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899818612	620604548	/nfs/dbraw/zinc/60/45/48/620604548.db2.gz	QGHCDUGTCULUEI-CQSZACIVSA-N	-1	0	275.348	2.588	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c(Cl)c1	ZINC000899841739	620605483	/nfs/dbraw/zinc/60/54/83/620605483.db2.gz	DPTOHABZMHMMPR-NWDGAFQWSA-N	-1	0	291.734	2.617	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1	ZINC000899843122	620605670	/nfs/dbraw/zinc/60/56/70/620605670.db2.gz	OZOGCKGUAMBMSV-GHMZBOCLSA-N	-1	0	291.734	2.761	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000901636417	620876964	/nfs/dbraw/zinc/87/69/64/620876964.db2.gz	UMOLKLNJPLMCHA-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C(Br)CNCc1cc(C(=O)[O-])c(CC)o1	ZINC000902186800	620991217	/nfs/dbraw/zinc/99/12/17/620991217.db2.gz	HYQDJNGTEWCFNX-UHFFFAOYSA-N	-1	0	288.141	2.538	20	30		CFEDRM
C=C1CCN(Cc2cn(-c3ccccc3)nc2C(=O)[O-])CC1	ZINC000902231133	621003126	/nfs/dbraw/zinc/00/31/26/621003126.db2.gz	LRGQWEFWEYRVNR-UHFFFAOYSA-N	-1	0	297.358	2.723	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C1(C(=O)[O-])CC=CC1	ZINC000902279539	621012677	/nfs/dbraw/zinc/01/26/77/621012677.db2.gz	JTMIKCOZGJUXJX-UHFFFAOYSA-N	-1	0	265.353	2.516	20	30		CFEDRM
N#Cc1cc(NC(=O)C2(C(=O)[O-])CC=CC2)ccc1C1CC1	ZINC000902700472	621150100	/nfs/dbraw/zinc/15/01/00/621150100.db2.gz	AYZKEBKLEIXOAA-UHFFFAOYSA-N	-1	0	296.326	2.795	20	30		CFEDRM
COC/C(C)=C\Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000902719633	621155317	/nfs/dbraw/zinc/15/53/17/621155317.db2.gz	PLBHKBSXWJLMCC-WQLSENKSSA-N	-1	0	291.395	2.935	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1sc(C)c(C)c1C#N	ZINC000903169111	621279595	/nfs/dbraw/zinc/27/95/95/621279595.db2.gz	YUKYVQZPJBIRPH-UHFFFAOYSA-N	-1	0	284.406	2.945	20	30		CFEDRM
CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C#N)c1[O-]	ZINC000903262609	621303261	/nfs/dbraw/zinc/30/32/61/621303261.db2.gz	FMHAZZNUOIFNDW-ZDUSSCGKSA-N	-1	0	298.371	2.833	20	30		CFEDRM
C[C@@H](CN(C)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000042704298	621368117	/nfs/dbraw/zinc/36/81/17/621368117.db2.gz	VRXICKPKMFLKGL-QMMMGPOBSA-N	-1	0	286.253	2.734	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000832714365	625491496	/nfs/dbraw/zinc/49/14/96/625491496.db2.gz	DPXGEZXBSBDLDX-UHFFFAOYSA-N	-1	0	289.335	2.651	20	30		CFEDRM
N#CCc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1	ZINC000904231826	621553465	/nfs/dbraw/zinc/55/34/65/621553465.db2.gz	NIDBLDFMQUFOQZ-KBPBESRZSA-N	-1	0	285.347	2.743	20	30		CFEDRM
N#CCc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904247077	621555649	/nfs/dbraw/zinc/55/56/49/621555649.db2.gz	YTROSOMGPHJFNF-ZIAGYGMSSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C=C(Cl)CN[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000905378536	621757588	/nfs/dbraw/zinc/75/75/88/621757588.db2.gz	MLQZQODLZBNOCT-LBPRGKRZSA-N	-1	0	253.729	2.771	20	30		CFEDRM
C=C(Cl)CN[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000905394167	621766115	/nfs/dbraw/zinc/76/61/15/621766115.db2.gz	GOBQHYUHOQLYLQ-GFCCVEGCSA-N	-1	0	253.729	2.771	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000905470159	621781405	/nfs/dbraw/zinc/78/14/05/621781405.db2.gz	OIDWKADSMVMMAB-SSDOTTSWSA-N	-1	0	294.298	2.944	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000905507969	621783633	/nfs/dbraw/zinc/78/36/33/621783633.db2.gz	AMBNEINRENLKBJ-TZMCWYRMSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCCC1=CCCC1)C(=O)[O-]	ZINC000905537765	621786510	/nfs/dbraw/zinc/78/65/10/621786510.db2.gz	TVSSYHVARCBSHW-ZDUSSCGKSA-N	-1	0	280.368	2.596	20	30		CFEDRM
C=CC1(CC(=O)N(CCC(=O)[O-])C2CC2)CCCCC1	ZINC000907574640	622137524	/nfs/dbraw/zinc/13/75/24/622137524.db2.gz	RZSYQCKHVQNNQN-UHFFFAOYSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000907574309	622137602	/nfs/dbraw/zinc/13/76/02/622137602.db2.gz	PCWXGQJIXYNKQA-DOMZBBRYSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000907608700	622138830	/nfs/dbraw/zinc/13/88/30/622138830.db2.gz	JOPMGIKUEDHBTM-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC1(CC(=O)N[C@](C)(C(=O)[O-])C2CC2)CCCCC1	ZINC000907604627	622142209	/nfs/dbraw/zinc/14/22/09/622142209.db2.gz	RJVQXYMTHYUILK-HNNXBMFYSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000907749450	622158753	/nfs/dbraw/zinc/15/87/53/622158753.db2.gz	JGPHFZXDZQOREQ-SECBINFHSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000907768363	622160196	/nfs/dbraw/zinc/16/01/96/622160196.db2.gz	YBMWNKOKVJTXAC-VIFPVBQESA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000907769857	622160889	/nfs/dbraw/zinc/16/08/89/622160889.db2.gz	ACRDKNUGPJKESA-MRVPVSSYSA-N	-1	0	268.338	2.691	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907983961	622181793	/nfs/dbraw/zinc/18/17/93/622181793.db2.gz	MRBXYKKBBNMQOR-UHFFFAOYSA-N	-1	0	286.331	2.604	20	30		CFEDRM
N#Cc1ccsc1C(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000833076679	625546585	/nfs/dbraw/zinc/54/65/85/625546585.db2.gz	LXDVZDXSXMNBCL-UHFFFAOYSA-N	-1	0	292.360	2.527	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000908040430	622190055	/nfs/dbraw/zinc/19/00/55/622190055.db2.gz	ZGWOTVLGDPLUSB-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908063635	622192696	/nfs/dbraw/zinc/19/26/96/622192696.db2.gz	PCJMWABYAJOORZ-INIZCTEOSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000908220266	622203172	/nfs/dbraw/zinc/20/31/72/622203172.db2.gz	QGXMJSBQTZRHGM-FPLPWBNLSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](CCC)C(=O)[O-]	ZINC000908216442	622205613	/nfs/dbraw/zinc/20/56/13/622205613.db2.gz	URTLPJSGZNOTPT-LBPRGKRZSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908235757	622206706	/nfs/dbraw/zinc/20/67/06/622206706.db2.gz	QLEQAZIYOHLCMJ-RHSMWYFYSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908288559	622213100	/nfs/dbraw/zinc/21/31/00/622213100.db2.gz	FCCRYIBFVAVGKK-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1	ZINC000908289911	622214634	/nfs/dbraw/zinc/21/46/34/622214634.db2.gz	VAIXDFKSPNQOMM-INIZCTEOSA-N	-1	0	299.370	2.679	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908291751	622215034	/nfs/dbraw/zinc/21/50/34/622215034.db2.gz	LVZRGJCKLAMVES-ZDUSSCGKSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cc(C)cc(C)n1)C(=O)[O-]	ZINC000908645395	622253685	/nfs/dbraw/zinc/25/36/85/622253685.db2.gz	UQDGKHYQFWPMCE-GFCCVEGCSA-N	-1	0	291.351	2.629	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1nc(C(C)C)cs1)C(=O)[O-]	ZINC000908647210	622254022	/nfs/dbraw/zinc/25/40/22/622254022.db2.gz	UVGAAORUFIFIMB-VIFPVBQESA-N	-1	0	297.380	2.807	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000908650352	622254042	/nfs/dbraw/zinc/25/40/42/622254042.db2.gz	ZNDZZUUFFJUWNO-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C(C)CCNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909031434	622298254	/nfs/dbraw/zinc/29/82/54/622298254.db2.gz	ZWPMLLVNSBQDFI-CYBMUJFWSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909122871	622315352	/nfs/dbraw/zinc/31/53/52/622315352.db2.gz	JMSWATJFFBKDPU-CQSZACIVSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000909127315	622315921	/nfs/dbraw/zinc/31/59/21/622315921.db2.gz	WJYBENVXTJPDNT-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000909290787	622335519	/nfs/dbraw/zinc/33/55/19/622335519.db2.gz	XXKHXAQWRRJWMX-CYBMUJFWSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909797600	622351411	/nfs/dbraw/zinc/35/14/11/622351411.db2.gz	WHVUZAWMMDWADE-MRXNPFEDSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C#CCC1(C(=O)NC[C@H](CCC)C(=O)[O-])CCCCC1	ZINC000909814482	622355926	/nfs/dbraw/zinc/35/59/26/622355926.db2.gz	OSMZKGSHVDOYML-ZDUSSCGKSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000909813595	622355929	/nfs/dbraw/zinc/35/59/29/622355929.db2.gz	KXHBGJNZFDYFJM-GJZGRUSLSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909847621	622356522	/nfs/dbraw/zinc/35/65/22/622356522.db2.gz	UEGAVYFWVZPNDK-OAHLLOKOSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	ZINC000909875550	622363392	/nfs/dbraw/zinc/36/33/92/622363392.db2.gz	QOJUVPXOOBDKIG-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000909874821	622363414	/nfs/dbraw/zinc/36/34/14/622363414.db2.gz	JOKSSIDKVFHKSG-LBPRGKRZSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000910040413	622395366	/nfs/dbraw/zinc/39/53/66/622395366.db2.gz	ZWBNBHMQTSPJGL-UHFFFAOYSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=C1CCC(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1	ZINC000910048450	622396761	/nfs/dbraw/zinc/39/67/61/622396761.db2.gz	UXZZPXKHYSNFON-UHFFFAOYSA-N	-1	0	285.343	2.973	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-]	ZINC000910045538	622396827	/nfs/dbraw/zinc/39/68/27/622396827.db2.gz	FLDLSVOCBJMOJD-ZDUSSCGKSA-N	-1	0	293.750	2.670	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N1CC(C)(C(=O)[O-])C1	ZINC000910058516	622398267	/nfs/dbraw/zinc/39/82/67/622398267.db2.gz	HUTKQDSXUPFWGB-UHFFFAOYSA-N	-1	0	291.372	2.511	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910069320	622400743	/nfs/dbraw/zinc/40/07/43/622400743.db2.gz	CHARGEHRMQXARB-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])OCC	ZINC000910112898	622406591	/nfs/dbraw/zinc/40/65/91/622406591.db2.gz	BRRWQOOTISMUFH-BBRMVZONSA-N	-1	0	297.395	2.604	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910154203	622407208	/nfs/dbraw/zinc/40/72/08/622407208.db2.gz	XGHZPFLEXRZRDW-QMMMGPOBSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000910246877	622418490	/nfs/dbraw/zinc/41/84/90/622418490.db2.gz	NYVSAIFQLFWKRH-AVGNSLFASA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000910246876	622418613	/nfs/dbraw/zinc/41/86/13/622418613.db2.gz	NYVSAIFQLFWKRH-AGIUHOORSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC1(C)C)C(=O)[O-]	ZINC000910268444	622421594	/nfs/dbraw/zinc/42/15/94/622421594.db2.gz	YIVKSIXCPNZCEC-ZJUUUORDSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910269740	622422282	/nfs/dbraw/zinc/42/22/82/622422282.db2.gz	DNAUKDWEJKLMIX-QWRGUYRKSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C(C)C)nc1)C(=O)[O-]	ZINC000910271167	622422771	/nfs/dbraw/zinc/42/27/71/622422771.db2.gz	NHDOWRICYWOHNK-LBPRGKRZSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910287034	622426455	/nfs/dbraw/zinc/42/64/55/622426455.db2.gz	MKOBUPMAHBCEHJ-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)[O-]	ZINC000910292151	622429927	/nfs/dbraw/zinc/42/99/27/622429927.db2.gz	DOCZBBLOVPKIQQ-WXRRBKDZSA-N	-1	0	297.395	2.506	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1	ZINC000910342063	622433057	/nfs/dbraw/zinc/43/30/57/622433057.db2.gz	WPEOFGUTTZYQIV-FSZRXZPDSA-N	-1	0	299.370	2.716	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910646517	622468561	/nfs/dbraw/zinc/46/85/61/622468561.db2.gz	WACWEJYQXAGYOM-UHFFFAOYSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910786156	622475193	/nfs/dbraw/zinc/47/51/93/622475193.db2.gz	LSDRRWQSHWYYJX-UHFFFAOYSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C=C[C@@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000910823973	622479228	/nfs/dbraw/zinc/47/92/28/622479228.db2.gz	WCIDKVZEKCIJQW-ZDUSSCGKSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000910914607	622486159	/nfs/dbraw/zinc/48/61/59/622486159.db2.gz	LWFDGSYHBWEJMC-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000910913257	622486289	/nfs/dbraw/zinc/48/62/89/622486289.db2.gz	UHOPSZMPONEEBI-ZDUSSCGKSA-N	-1	0	297.301	2.813	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C=C(C1CC1)C1CC1)C(=O)[O-]	ZINC000910915383	622486525	/nfs/dbraw/zinc/48/65/25/622486525.db2.gz	YQCRNCPPVMDYAQ-AWEZNQCLSA-N	-1	0	277.364	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(C)cccc1C)C(=O)[O-]	ZINC000910915332	622486737	/nfs/dbraw/zinc/48/67/37/622486737.db2.gz	XOGPFBJGIUZDRG-CYBMUJFWSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(CC)CC)C(=O)[O-]	ZINC000910915783	622486880	/nfs/dbraw/zinc/48/68/80/622486880.db2.gz	ATIQMENTHUIETA-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC1CCC(OC)CC1)C(=O)[O-]	ZINC000910916276	622486883	/nfs/dbraw/zinc/48/68/83/622486883.db2.gz	GOCNSTWZNNVMRO-JXQTWKCFSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000910919198	622487204	/nfs/dbraw/zinc/48/72/04/622487204.db2.gz	UDOMKAFJNQTDEK-LLVKDONJSA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/C(=C\C)CC)C(=O)[O-]	ZINC000910918041	622487317	/nfs/dbraw/zinc/48/73/17/622487317.db2.gz	WKRRGJJJVLGHGS-QIZSVWTASA-N	-1	0	265.353	2.825	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(C)noc1C(C)C)C(=O)[O-]	ZINC000910918408	622487370	/nfs/dbraw/zinc/48/73/70/622487370.db2.gz	JNTINWHFABBCJF-NSHDSACASA-N	-1	0	294.351	2.646	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000910918199	622487403	/nfs/dbraw/zinc/48/74/03/622487403.db2.gz	IOUYIEGRTOGBOL-CYBMUJFWSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](CC)CCC)C(=O)[O-]	ZINC000910922593	622487730	/nfs/dbraw/zinc/48/77/30/622487730.db2.gz	KVZTYYHQWKDYDH-RYUDHWBXSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C(C)=C/c1ccco1)C(=O)[O-]	ZINC000910925697	622488204	/nfs/dbraw/zinc/48/82/04/622488204.db2.gz	NOVIFIHSWFOVKT-NHAQELONSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CCCC)C(=O)[O-]	ZINC000910924904	622488260	/nfs/dbraw/zinc/48/82/60/622488260.db2.gz	GNYZOYPFKBNOTQ-VXGBXAGGSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C1CCC(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)CC1	ZINC000910992137	622497024	/nfs/dbraw/zinc/49/70/24/622497024.db2.gz	XOBWJUKECNBNQW-SREVYHEPSA-N	-1	0	289.331	2.854	20	30		CFEDRM
CO[C@H]1C[C@H]2CC(N=Nc3cccc(C(=O)[O-])c3)C[C@H]2C1	ZINC000819801811	622559352	/nfs/dbraw/zinc/55/93/52/622559352.db2.gz	YTLJRTVENBRYHE-JYAVWHMHSA-N	-1	0	288.347	2.988	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000819800855	622559559	/nfs/dbraw/zinc/55/95/59/622559559.db2.gz	AVQCNVLDNLHXTM-NSHDSACASA-N	-1	0	250.323	2.678	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000819965971	622586890	/nfs/dbraw/zinc/58/68/90/622586890.db2.gz	JNVMAJQGNOGLNU-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000820166982	622619634	/nfs/dbraw/zinc/61/96/34/622619634.db2.gz	CCIZPNJZNCBGGT-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
N#CCCN(Cc1ccc(C(=O)[O-])cc1)CC1CC1	ZINC000821324527	622894328	/nfs/dbraw/zinc/89/43/28/622894328.db2.gz	IBWAAYPLSWYLEQ-UHFFFAOYSA-N	-1	0	258.321	2.510	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100186	622965206	/nfs/dbraw/zinc/96/52/06/622965206.db2.gz	GBRCLFRFBQFRRU-UHFFFAOYSA-N	-1	0	271.313	2.578	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1	ZINC000045098501	622965413	/nfs/dbraw/zinc/96/54/13/622965413.db2.gz	YEQPSBQTKZATEJ-UHFFFAOYSA-N	-1	0	293.344	2.926	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000058481261	623050320	/nfs/dbraw/zinc/05/03/20/623050320.db2.gz	NYIQKNBMDGYWPP-POHAHGRESA-N	-1	0	297.266	2.828	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1	ZINC000046929405	623105961	/nfs/dbraw/zinc/10/59/61/623105961.db2.gz	HCMFKTZAALRMTC-UHFFFAOYSA-N	-1	0	283.349	2.581	20	30		CFEDRM
CC[C@H](CNc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087508984	623169273	/nfs/dbraw/zinc/16/92/73/623169273.db2.gz	JKBDCRHDCOAMOR-MRVPVSSYSA-N	-1	0	252.701	2.734	20	30		CFEDRM
CC[C@@H](CNc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000087509586	623170873	/nfs/dbraw/zinc/17/08/73/623170873.db2.gz	YQYAPIGEAQVPOU-QMMMGPOBSA-N	-1	0	252.701	2.734	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCOCC2CC2)c1	ZINC000061242255	623194522	/nfs/dbraw/zinc/19/45/22/623194522.db2.gz	NPEZJSCMZVUSNI-OQLLNIDSSA-N	-1	0	278.308	2.536	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000823369030	623299593	/nfs/dbraw/zinc/29/95/93/623299593.db2.gz	OJPNQGAYBGEIEM-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2F)C1	ZINC000062874833	623301665	/nfs/dbraw/zinc/30/16/65/623301665.db2.gz	PQPSFJXQDYCIIS-OAHLLOKOSA-N	-1	0	276.311	2.779	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2	ZINC000824033620	623437778	/nfs/dbraw/zinc/43/77/78/623437778.db2.gz	QGDPRXFZUQADLL-MNOVXSKESA-N	-1	0	290.363	2.538	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814906005	623482005	/nfs/dbraw/zinc/48/20/05/623482005.db2.gz	BWOCYINUVQBBEB-GXFFZTMASA-N	-1	0	254.374	2.889	20	30		CFEDRM
CC(=O)c1ccc(C(=O)N(CCC#N)CC(C)C)cc1O	ZINC000824234958	623473712	/nfs/dbraw/zinc/47/37/12/623473712.db2.gz	YLGJDIFPBBUNHK-UHFFFAOYSA-N	-1	0	288.347	2.607	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(-c2ccco2)c(C)s1	ZINC000824653257	623539616	/nfs/dbraw/zinc/53/96/16/623539616.db2.gz	WNSVLDLZRAIFSN-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Nc1cccnc1Cl	ZINC000824661039	623541112	/nfs/dbraw/zinc/54/11/12/623541112.db2.gz	YTVZFTAGFIPXIF-SNVBAGLBSA-N	-1	0	283.759	2.549	20	30		CFEDRM
CCCC(CC)=NNCc1ccc(-c2nn[nH]n2)cc1	ZINC000825233995	623655266	/nfs/dbraw/zinc/65/52/66/623655266.db2.gz	UTYYKTAKOUIKSL-UHFFFAOYSA-N	-1	0	272.356	2.522	20	30		CFEDRM
CCCC(CC)N=Nc1cc(-c2nn[nH]n2)cc(Cl)n1	ZINC000825232754	623655693	/nfs/dbraw/zinc/65/56/93/623655693.db2.gz	KBMYMSFCTYCKLA-UHFFFAOYSA-N	-1	0	293.762	2.893	20	30		CFEDRM
N#Cc1nc(NC(=O)C(F)=CC2CCCCC2)[n-]c1C#N	ZINC000825431946	623693026	/nfs/dbraw/zinc/69/30/26/623693026.db2.gz	FXVIKWZPNYTJQH-POHAHGRESA-N	-1	0	287.298	2.525	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1	ZINC000915100341	623981715	/nfs/dbraw/zinc/98/17/15/623981715.db2.gz	UOIHMPZOIYFLLM-VIFPVBQESA-N	-1	0	277.736	2.990	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000827649037	624051645	/nfs/dbraw/zinc/05/16/45/624051645.db2.gz	GUAXEDNRHIGCAP-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915987465	624204840	/nfs/dbraw/zinc/20/48/40/624204840.db2.gz	DXTNTEAFXCQPFZ-BQYQJAHWSA-N	-1	0	285.299	2.815	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000916240958	624230052	/nfs/dbraw/zinc/23/00/52/624230052.db2.gz	YEMJVFHHGHBPRA-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000916255386	624231198	/nfs/dbraw/zinc/23/11/98/624231198.db2.gz	XAUVYJQEBUDNSB-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NNc1ccccc1	ZINC000916592567	624263381	/nfs/dbraw/zinc/26/33/81/624263381.db2.gz	OUOVYSZDDUKPTD-UHFFFAOYSA-N	-1	0	270.288	2.596	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1	ZINC000917005149	624298803	/nfs/dbraw/zinc/29/88/03/624298803.db2.gz	KZIWEYZGICIPBA-MRVPVSSYSA-N	-1	0	292.747	2.623	20	30		CFEDRM
COc1ccc(C)cc1C(C)=NNc1[n-]cnc2ncnc1-2	ZINC000917556231	624359597	/nfs/dbraw/zinc/35/95/97/624359597.db2.gz	XNYSIBREJLETOF-UHFFFAOYSA-N	-1	0	296.334	2.506	20	30		CFEDRM
C#CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000920987841	624796336	/nfs/dbraw/zinc/79/63/36/624796336.db2.gz	UCDKWWUMVSKJOQ-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
Cc1cc(=O)[nH]c(NN=Cc2cccc(OC(C)C)c2)n1	ZINC000921255336	624827761	/nfs/dbraw/zinc/82/77/61/624827761.db2.gz	ZAJZSIDFSHSRMA-UHFFFAOYSA-N	-1	0	286.335	2.724	20	30		CFEDRM
CCCCCc1cc(C(=O)Nc2cc(C#N)ccc2[O-])n[nH]1	ZINC000831271563	624980559	/nfs/dbraw/zinc/98/05/59/624980559.db2.gz	JHFFYZNKWZXQQT-UHFFFAOYSA-N	-1	0	298.346	2.972	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1	ZINC000180474950	625024629	/nfs/dbraw/zinc/02/46/29/625024629.db2.gz	RJQASFZSWHCMRT-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
CCCC(=CC(=O)C(C#N)=C([O-])c1nccn1C)CCC	ZINC000181321390	625102668	/nfs/dbraw/zinc/10/26/68/625102668.db2.gz	JCFLFALRYYJJOX-ZDUSSCGKSA-N	-1	0	287.363	2.838	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834911691	625920081	/nfs/dbraw/zinc/92/00/81/625920081.db2.gz	GIHHYJCFRYKIGH-CYBMUJFWSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])C12CCC2	ZINC000834934180	625926705	/nfs/dbraw/zinc/92/67/05/625926705.db2.gz	CEIQKFCWYOHHIK-ZDUSSCGKSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CC[C@H](C)CC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000834936693	625927597	/nfs/dbraw/zinc/92/75/97/625927597.db2.gz	CHDFQYYCUUBENE-JTQLQIEISA-N	-1	0	275.377	2.955	20	30		CFEDRM
C[C@H](NN=Cc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F	ZINC000834997745	625948126	/nfs/dbraw/zinc/94/81/26/625948126.db2.gz	IZCFNPXSVPSSLD-LURJTMIESA-N	-1	0	294.660	2.913	20	30		CFEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOC(C)C	ZINC000835002465	625950979	/nfs/dbraw/zinc/95/09/79/625950979.db2.gz	ODUBENAWKVTWRH-UHFFFAOYSA-N	-1	0	279.336	2.884	20	30		CFEDRM
CO[C@](C)(CN=Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000835008078	625955288	/nfs/dbraw/zinc/95/52/88/625955288.db2.gz	FBEZTSBFANTABF-CQSZACIVSA-N	-1	0	280.299	2.737	20	30		CFEDRM
CC(C)OC1CC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008464	625955349	/nfs/dbraw/zinc/95/53/49/625955349.db2.gz	JLYARMJWGBYWNO-UHFFFAOYSA-N	-1	0	280.299	2.879	20	30		CFEDRM
COC(C)(C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009011	625955783	/nfs/dbraw/zinc/95/57/83/625955783.db2.gz	MQYXMAKTYBKRQF-UHFFFAOYSA-N	-1	0	268.288	2.737	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@H]2CCOC2)cc1F	ZINC000835009024	625955854	/nfs/dbraw/zinc/95/58/54/625955854.db2.gz	MSOKBWYVRBYXBP-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@@H]2CCOC2)cc1F	ZINC000835009025	625956162	/nfs/dbraw/zinc/95/61/62/625956162.db2.gz	MSOKBWYVRBYXBP-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCOC1	ZINC000835010235	625957080	/nfs/dbraw/zinc/95/70/80/625957080.db2.gz	UJMAHUIDMYLRQT-VIFPVBQESA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(CCCc1cccnc1)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010143	625957122	/nfs/dbraw/zinc/95/71/22/625957122.db2.gz	PYTOFONJJDXOCX-UHFFFAOYSA-N	-1	0	298.346	2.986	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC3(CC3)CC2)cn1	ZINC000835009718	625957127	/nfs/dbraw/zinc/95/71/27/625957127.db2.gz	BNTGZNXGRQYPQY-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCOC1	ZINC000835009795	625957171	/nfs/dbraw/zinc/95/71/71/625957171.db2.gz	CSQUAJJLXNASCP-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CSCCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010175	625957327	/nfs/dbraw/zinc/95/73/27/625957327.db2.gz	RUJHPTPYIICYQR-UHFFFAOYSA-N	-1	0	256.302	2.675	20	30		CFEDRM
C[C@@H]1C(=NN[C@H]2CCOC2(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000835020114	625966392	/nfs/dbraw/zinc/96/63/92/625966392.db2.gz	FCPZDHSRTKUCMB-WZRBSPASSA-N	-1	0	296.411	2.656	20	30		CFEDRM
N#Cc1ccc(SCC(=O)[N-]Oc2ccccc2)cc1	ZINC000773465598	626164800	/nfs/dbraw/zinc/16/48/00/626164800.db2.gz	FZZQSAMHAVLXAE-UHFFFAOYSA-N	-1	0	284.340	2.761	20	30		CFEDRM
CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)c1ccccc1	ZINC000073839218	626396191	/nfs/dbraw/zinc/39/61/91/626396191.db2.gz	MNSYWGYJIIOADA-AAEUAGOBSA-N	-1	0	299.392	2.501	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000923056149	626447653	/nfs/dbraw/zinc/44/76/53/626447653.db2.gz	IAUAYAFAHAHROG-INIZCTEOSA-N	-1	0	299.330	2.604	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000923056550	626447669	/nfs/dbraw/zinc/44/76/69/626447669.db2.gz	ACMRGMMOPDNKSL-CYBMUJFWSA-N	-1	0	280.711	2.917	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000923076615	626449248	/nfs/dbraw/zinc/44/92/48/626449248.db2.gz	UAKVKGMFNXPZLU-OAHLLOKOSA-N	-1	0	274.320	2.880	20	30		CFEDRM
C=CCC1(C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])CCC1	ZINC000923183395	626455075	/nfs/dbraw/zinc/45/50/75/626455075.db2.gz	LAGHKGKZQMRKJN-OAHLLOKOSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923189691	626455724	/nfs/dbraw/zinc/45/57/24/626455724.db2.gz	XQJNUHASDHUNCX-CABCVRRESA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC(C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000838819256	626507926	/nfs/dbraw/zinc/50/79/26/626507926.db2.gz	RTMBOIBCVWCOJR-GFCCVEGCSA-N	-1	0	275.352	2.528	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1	ZINC000103330100	626531324	/nfs/dbraw/zinc/53/13/24/626531324.db2.gz	FAEMHKXWWSCCJF-LBPRGKRZSA-N	-1	0	299.355	2.667	20	30		CFEDRM
N#Cc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000839383695	626534801	/nfs/dbraw/zinc/53/48/01/626534801.db2.gz	NGIIQPRYGOJVLB-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NOCc2ccccc2)ccc1[O-]	ZINC000839419797	626535794	/nfs/dbraw/zinc/53/57/94/626535794.db2.gz	MWZVALOMWIBMFU-UHFFFAOYSA-N	-1	0	272.260	2.851	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@]23C[C@@H]2CCCC3)c1	ZINC000867012378	626536891	/nfs/dbraw/zinc/53/68/91/626536891.db2.gz	GBBLRPGGUNYOME-NHYWBVRUSA-N	-1	0	256.305	2.783	20	30		CFEDRM
Cc1cccc2ncc(/C=C/C(=O)c3ccc(O)cc3[O-])n21	ZINC000757467050	626552915	/nfs/dbraw/zinc/55/29/15/626552915.db2.gz	BFDZKJMEYXHJJX-VMPITWQZSA-N	-1	0	294.310	2.950	20	30		CFEDRM
Cc1nnc([S-])n(N=C[C@H](C)CC2CCCCC2)c1=O	ZINC000758080875	626575906	/nfs/dbraw/zinc/57/59/06/626575906.db2.gz	ZTFJNNOCJKESFX-SNVBAGLBSA-N	-1	0	294.424	2.676	20	30		CFEDRM
CC(=NOCC(C)C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758119733	626577471	/nfs/dbraw/zinc/57/74/71/626577471.db2.gz	OJWICZWUZAXJMD-UHFFFAOYSA-N	-1	0	252.270	2.697	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758119710	626577606	/nfs/dbraw/zinc/57/76/06/626577606.db2.gz	UBFVAVNGSSWZSC-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
C#CCNC(=S)[N-]c1ccccc1SC[C@@H](C)C#N	ZINC000758236803	626584330	/nfs/dbraw/zinc/58/43/30/626584330.db2.gz	ZTDAOCGALVXSGN-NSHDSACASA-N	-1	0	289.429	2.858	20	30		CFEDRM
O=C(/C=C\c1nccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091454	626628394	/nfs/dbraw/zinc/62/83/94/626628394.db2.gz	RHOUSJZHWNRBKD-ARJAWSKDSA-N	-1	0	276.273	2.653	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cs1	ZINC000759440348	626658947	/nfs/dbraw/zinc/65/89/47/626658947.db2.gz	IBDVHCWRTYMLEM-SNVBAGLBSA-N	-1	0	296.779	2.783	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccsc2)c1	ZINC000759712860	626686454	/nfs/dbraw/zinc/68/64/54/626686454.db2.gz	BAKCZYVYUSYZGN-DUXPYHPUSA-N	-1	0	270.313	2.977	20	30		CFEDRM
CCO[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000761573987	626847991	/nfs/dbraw/zinc/84/79/91/626847991.db2.gz	VCWJIINCZFJBAJ-AWEZNQCLSA-N	-1	0	276.336	2.654	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC1CCC(C)(C)CC1	ZINC000762047615	626884162	/nfs/dbraw/zinc/88/41/62/626884162.db2.gz	LZYCSJSAJOPONY-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCC(F)(F)C2)c1	ZINC000763095428	626963271	/nfs/dbraw/zinc/96/32/71/626963271.db2.gz	DOBYDAPMXMLNNR-KLLFSAEGSA-N	-1	0	270.235	2.907	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c(O)cccc2Cl)nc1	ZINC000763371961	626983432	/nfs/dbraw/zinc/98/34/32/626983432.db2.gz	NZGLVGCOLUKCDU-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
Cc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1C	ZINC000763369857	626983772	/nfs/dbraw/zinc/98/37/72/626983772.db2.gz	ZDKBOJUOGXLIBE-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccccc1C(=O)[O-]	ZINC000764835836	627099594	/nfs/dbraw/zinc/09/95/94/627099594.db2.gz	OJFPMMLNLBAQJB-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
COC(C)(C)CCN=Nc1ccccc1C(=O)[O-]	ZINC000766001699	627170613	/nfs/dbraw/zinc/17/06/13/627170613.db2.gz	HADCIYPQUPIEMQ-UHFFFAOYSA-N	-1	0	250.298	2.598	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC1CC(C(F)F)C1	ZINC000766015876	627171909	/nfs/dbraw/zinc/17/19/09/627171909.db2.gz	PHUSBYVMKZBVCN-UHFFFAOYSA-N	-1	0	254.236	2.828	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1sccc1[O-]	ZINC000769801267	627476127	/nfs/dbraw/zinc/47/61/27/627476127.db2.gz	KJVIEHYUDHUDTD-UHFFFAOYSA-N	-1	0	251.286	2.824	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000772553878	627721064	/nfs/dbraw/zinc/72/10/64/627721064.db2.gz	KIBUUTFVMSDJJF-AWEZNQCLSA-N	-1	0	299.374	2.586	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)CCCCCCCCC	ZINC000772713786	627738609	/nfs/dbraw/zinc/73/86/09/627738609.db2.gz	XNTPCFMKIREOGU-UHFFFAOYSA-N	-1	0	275.414	2.759	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772807642	627747084	/nfs/dbraw/zinc/74/70/84/627747084.db2.gz	RNTMDMXBEMNVPF-DJWKRKHSSA-N	-1	0	290.300	2.961	20	30		CFEDRM
C=Cn1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000772991535	627765742	/nfs/dbraw/zinc/76/57/42/627765742.db2.gz	UTXSGZRDVHRMJL-UHFFFAOYSA-N	-1	0	290.710	2.781	20	30		CFEDRM
Cn1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])n1	ZINC000773153170	627789455	/nfs/dbraw/zinc/78/94/55/627789455.db2.gz	IMQFXPKBFAFZOS-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccn1	ZINC000774081394	627885255	/nfs/dbraw/zinc/88/52/55/627885255.db2.gz	LMONGULNGMIWDA-UHFFFAOYSA-N	-1	0	281.315	2.575	20	30		CFEDRM
COC(=O)c1coc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1	ZINC000774140984	627893251	/nfs/dbraw/zinc/89/32/51/627893251.db2.gz	WWTKACIILPJTAX-HWKANZROSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000774215162	627904540	/nfs/dbraw/zinc/90/45/40/627904540.db2.gz	AJBBTJOVBPQBQT-LBPRGKRZSA-N	-1	0	295.383	2.842	20	30		CFEDRM
CCC(CC)CNN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000774469142	627930660	/nfs/dbraw/zinc/93/06/60/627930660.db2.gz	DERWPAYEHGZQQS-LBPRGKRZSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC(=NOC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000774606795	627941058	/nfs/dbraw/zinc/94/10/58/627941058.db2.gz	AGEMIIYURWGUOC-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
C=CCSCCNC(=O)c1cccc(Cl)c1[O-]	ZINC000775681262	628054963	/nfs/dbraw/zinc/05/49/63/628054963.db2.gz	OEBUYXGLXPMXPF-UHFFFAOYSA-N	-1	0	271.769	2.695	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)c1cccc(Cl)c1[O-])C1CC1	ZINC000775784686	628067590	/nfs/dbraw/zinc/06/75/90/628067590.db2.gz	GHVCIOKRAVZHJY-SECBINFHSA-N	-1	0	278.739	2.810	20	30		CFEDRM
Cc1nnc(NN=C(CC2CCC2)c2ccccc2)[n-]c1=O	ZINC000776178664	628112605	/nfs/dbraw/zinc/11/26/05/628112605.db2.gz	BASQFLWMPKDLQV-UHFFFAOYSA-N	-1	0	297.362	2.892	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725708	628171694	/nfs/dbraw/zinc/17/16/94/628171694.db2.gz	FDJJQYBIEPSKMZ-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
Cc1cccc(NN=Cc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000777417792	628223700	/nfs/dbraw/zinc/22/37/00/628223700.db2.gz	APEHQHOTYAWZQU-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(F)cc2)ccc1O	ZINC000777420607	628224136	/nfs/dbraw/zinc/22/41/36/628224136.db2.gz	DUQKBPQOMMLSSA-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]OC1CCCCC1	ZINC000777950590	628266932	/nfs/dbraw/zinc/26/69/32/628266932.db2.gz	UJRDRVHDBZUQCN-GFCCVEGCSA-N	-1	0	288.347	2.706	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H](F)Cc2ccccc2)c1	ZINC000778400048	628304564	/nfs/dbraw/zinc/30/45/64/628304564.db2.gz	SXIQVPHPRZJVSY-CYBMUJFWSA-N	-1	0	284.290	2.783	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1F	ZINC000778540474	628313818	/nfs/dbraw/zinc/31/38/18/628313818.db2.gz	PMRAXISMVXVHJV-UHFFFAOYSA-N	-1	0	284.298	2.718	20	30		CFEDRM
N#Cc1cccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000779359433	628376379	/nfs/dbraw/zinc/37/63/79/628376379.db2.gz	RZSJMYLFMDRBJF-GQCTYLIASA-N	-1	0	293.278	2.858	20	30		CFEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779358070	628376562	/nfs/dbraw/zinc/37/65/62/628376562.db2.gz	LWHBWRUVWOMKGM-XVNBXDOJSA-N	-1	0	293.278	2.858	20	30		CFEDRM
COc1cccc(N=NC(C)c2ccc(CC(=O)[O-])cc2)n1	ZINC000779818586	628410824	/nfs/dbraw/zinc/41/08/24/628410824.db2.gz	SGLUEIRMEWDJNG-UHFFFAOYSA-N	-1	0	299.330	2.553	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000780188495	628437875	/nfs/dbraw/zinc/43/78/75/628437875.db2.gz	STKGEWKUWOIUIA-IZZDOVSWSA-N	-1	0	297.266	2.828	20	30		CFEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000780335233	628456459	/nfs/dbraw/zinc/45/64/59/628456459.db2.gz	YMDAVTBYVXUVGZ-UHFFFAOYSA-N	-1	0	299.436	2.596	20	30		CFEDRM
COc1cc(C)c(C=NNc2ccc(C(=O)[O-])cc2)c(C)n1	ZINC000781573382	628560876	/nfs/dbraw/zinc/56/08/76/628560876.db2.gz	DOFHETYAYYBTDO-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
CC[C@H]1C[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000782023583	628597956	/nfs/dbraw/zinc/59/79/56/628597956.db2.gz	IBEFCIAGXHOXIJ-YPMHNXCESA-N	-1	0	288.347	2.798	20	30		CFEDRM
COc1cc(C(C)=NNc2cccc(C(=O)[O-])c2)ccn1	ZINC000782111338	628605701	/nfs/dbraw/zinc/60/57/01/628605701.db2.gz	OSJFUBJQDBQBDS-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000782289818	628624582	/nfs/dbraw/zinc/62/45/82/628624582.db2.gz	XQJSVBVTYJGJNZ-AWEZNQCLSA-N	-1	0	290.363	2.652	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000782302229	628626185	/nfs/dbraw/zinc/62/61/85/628626185.db2.gz	RSKPWKUUFPOXQP-AWEZNQCLSA-N	-1	0	290.363	2.652	20	30		CFEDRM
Cn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2Cl)cn1	ZINC000783709167	628737127	/nfs/dbraw/zinc/73/71/27/628737127.db2.gz	YEBITYKXPNNJJB-PLNGDYQASA-N	-1	0	290.706	2.668	20	30		CFEDRM
Cc1cc(O)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000785409059	628880431	/nfs/dbraw/zinc/88/04/31/628880431.db2.gz	AXBDSFSIIFNTKM-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccccc2)c1	ZINC000786540075	628967355	/nfs/dbraw/zinc/96/73/55/628967355.db2.gz	GOWGYBCZCFCLFD-MRXNPFEDSA-N	-1	0	292.338	2.634	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1	ZINC000786549803	628968284	/nfs/dbraw/zinc/96/82/84/628968284.db2.gz	SKRRHMCJIUQWBR-HNNXBMFYSA-N	-1	0	296.326	2.535	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cncs2)c1	ZINC000787171958	628997655	/nfs/dbraw/zinc/99/76/55/628997655.db2.gz	GHKDSRQRMNSQPT-UPHRSURJSA-N	-1	0	265.315	2.799	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000787681669	629025647	/nfs/dbraw/zinc/02/56/47/629025647.db2.gz	QJITVRVIQNQKQJ-LLVKDONJSA-N	-1	0	283.331	2.516	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12	ZINC000805856744	629039959	/nfs/dbraw/zinc/03/99/59/629039959.db2.gz	AGXWAHMHSVPWBC-LBPRGKRZSA-N	-1	0	284.315	2.625	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc(-c3cc[nH]n3)o2)cc1	ZINC000788409932	629064445	/nfs/dbraw/zinc/06/44/45/629064445.db2.gz	ZELGGBXDEBIJQA-UHFFFAOYSA-N	-1	0	296.286	2.814	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1cn2ccccc2n1	ZINC000788409241	629064505	/nfs/dbraw/zinc/06/45/05/629064505.db2.gz	QRQZQFCSEHUUPW-UHFFFAOYSA-N	-1	0	294.314	2.869	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cc(C(=O)[O-])ccc1C	ZINC000788433824	629066137	/nfs/dbraw/zinc/06/61/37/629066137.db2.gz	DMZKXRYNERNNFF-UHFFFAOYSA-N	-1	0	275.226	2.996	20	30		CFEDRM
CSCCON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000789053722	629120900	/nfs/dbraw/zinc/12/09/00/629120900.db2.gz	CDSXYHKJDHXXBN-LBPRGKRZSA-N	-1	0	279.361	2.732	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC(=O)c3ccccc32)c1	ZINC000789831668	629190432	/nfs/dbraw/zinc/19/04/32/629190432.db2.gz	GDSLGRVWSFCNNA-CYBMUJFWSA-N	-1	0	292.294	2.573	20	30		CFEDRM
COC1(CN=Nc2ccc(C(=O)[O-])cc2)CCCC1	ZINC000790136566	629213117	/nfs/dbraw/zinc/21/31/17/629213117.db2.gz	LSNGOGAXJOBWND-UHFFFAOYSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)c1ncc[n-]1	ZINC000790174118	629215930	/nfs/dbraw/zinc/21/59/30/629215930.db2.gz	OQDDIVWTFXBULL-UHFFFAOYSA-N	-1	0	258.387	2.934	20	30		CFEDRM
CC(=NNc1ncccc1C)c1cc(C(=O)[O-])ccc1O	ZINC000790193084	629218591	/nfs/dbraw/zinc/21/85/91/629218591.db2.gz	RTWCMLUHYIYWPL-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
CC(=NNc1ncccc1C)c1cccc(C(=O)[O-])c1	ZINC000790192864	629218596	/nfs/dbraw/zinc/21/85/96/629218596.db2.gz	IBOPKVGENUGKEW-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2Cl)C(=O)O1	ZINC000790207780	629220454	/nfs/dbraw/zinc/22/04/54/629220454.db2.gz	DCDXNYXOHQQFJF-QUCGXOGASA-N	-1	0	296.731	2.630	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1cccc(Br)c1[O-]	ZINC000791742168	629351045	/nfs/dbraw/zinc/35/10/45/629351045.db2.gz	TVLIOTMQHKXKFK-SECBINFHSA-N	-1	0	296.164	2.686	20	30		CFEDRM
COCCN(CC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000835068312	629368111	/nfs/dbraw/zinc/36/81/11/629368111.db2.gz	OPRWQGABPMWCEL-UHFFFAOYSA-N	-1	0	289.162	2.671	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCCC1	ZINC000835115634	629420362	/nfs/dbraw/zinc/42/03/62/629420362.db2.gz	OPUKSHCYSNNPIS-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C[C@@]1(C=NNc2cnnc([O-])c2Cl)CCCS1	ZINC000792957360	629470650	/nfs/dbraw/zinc/47/06/50/629470650.db2.gz	CGZJCJOFAKNQPH-JTQLQIEISA-N	-1	0	272.761	2.519	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H]1Cc1ccccc1)C(=O)[O-]	ZINC000793057842	629481346	/nfs/dbraw/zinc/48/13/46/629481346.db2.gz	PWIWZKYREKPQBL-KBPBESRZSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CC[C@H](NN=C(C)c1cccc(-c2ccncc2)c1)C(=O)[O-]	ZINC000793072680	629482940	/nfs/dbraw/zinc/48/29/40/629482940.db2.gz	UZRWJVAJOFRTBA-INIZCTEOSA-N	-1	0	297.358	2.925	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H]1c1ccccc1)C(=O)[O-]	ZINC000793078044	629484222	/nfs/dbraw/zinc/48/42/22/629484222.db2.gz	LDHBIRYSQHETBB-QWHCGFSZSA-N	-1	0	260.337	2.763	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H]1c1ccccc1)C(=O)[O-]	ZINC000793078038	629484430	/nfs/dbraw/zinc/48/44/30/629484430.db2.gz	LDHBIRYSQHETBB-CHWSQXEVSA-N	-1	0	260.337	2.763	20	30		CFEDRM
CC[C@H](NN=Cc1cc(Cl)cc2cccnc12)C(=O)[O-]	ZINC000793077719	629484462	/nfs/dbraw/zinc/48/44/62/629484462.db2.gz	GXHXTRIEGWKQNG-LBPRGKRZSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccccc1Br)C(=O)[O-]	ZINC000793077353	629484526	/nfs/dbraw/zinc/48/45/26/629484526.db2.gz	DXHUGWRRECWAHR-LLVKDONJSA-N	-1	0	299.168	2.626	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H](c2cccnc2)C1)C(=O)[O-]	ZINC000793077882	629484556	/nfs/dbraw/zinc/48/45/56/629484556.db2.gz	JFSKDLCAQKUALZ-FZMZJTMJSA-N	-1	0	275.352	2.548	20	30		CFEDRM
C[C@H](Oc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1)C(=O)[O-]	ZINC000793115133	629489152	/nfs/dbraw/zinc/48/91/52/629489152.db2.gz	KNOLASSXLQTURQ-RYUDHWBXSA-N	-1	0	292.379	2.897	20	30		CFEDRM
C[C@H](NN=Cc1ccccc1OCC(=O)[O-])C(C)(C)C	ZINC000793115723	629489495	/nfs/dbraw/zinc/48/94/95/629489495.db2.gz	SZZNESDBBCLKEI-NSHDSACASA-N	-1	0	278.352	2.508	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)CCC=C2	ZINC000793127468	629490647	/nfs/dbraw/zinc/49/06/47/629490647.db2.gz	YWOXAHHMSVZIQR-MRXNPFEDSA-N	-1	0	294.354	2.591	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000793163107	629495175	/nfs/dbraw/zinc/49/51/75/629495175.db2.gz	FQXOIWLYBZEKBY-SECBINFHSA-N	-1	0	252.270	2.697	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cccc(Cl)n1	ZINC000793176125	629499470	/nfs/dbraw/zinc/49/94/70/629499470.db2.gz	YVCCDELKKIKLPQ-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2CC(F)(F)C2)c1	ZINC000793654503	629582865	/nfs/dbraw/zinc/58/28/65/629582865.db2.gz	MBFUPEJWUVIQKC-CHHVJCJISA-N	-1	0	270.235	2.765	20	30		CFEDRM
CCOC1CC(CN=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000794857061	629696089	/nfs/dbraw/zinc/69/60/89/629696089.db2.gz	QPMVEXZJFOSLFI-UHFFFAOYSA-N	-1	0	262.309	2.598	20	30		CFEDRM
Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)cnn1C	ZINC000794944492	629708098	/nfs/dbraw/zinc/70/80/98/629708098.db2.gz	HBIVGBIUKZQFJT-WAYWQWQTSA-N	-1	0	298.342	2.940	20	30		CFEDRM
CN(C)c1ccccc1CNN=Cc1ccc(C(=O)[O-])cc1	ZINC000794958626	629709203	/nfs/dbraw/zinc/70/92/03/629709203.db2.gz	XAUOFYZKOGKEND-UHFFFAOYSA-N	-1	0	297.358	2.575	20	30		CFEDRM
CCc1ccnc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000797784869	630103268	/nfs/dbraw/zinc/10/32/68/630103268.db2.gz	LYEBVBVIFYNGGY-CXUHLZMHSA-N	-1	0	285.303	2.877	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C2CCC2)c1	ZINC000798815649	630241348	/nfs/dbraw/zinc/24/13/48/630241348.db2.gz	BUGXLJBYVRIXHA-HNNXBMFYSA-N	-1	0	282.343	2.555	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1	ZINC000798817407	630241734	/nfs/dbraw/zinc/24/17/34/630241734.db2.gz	XHXSHRLEVVDRHE-OAHLLOKOSA-N	-1	0	282.343	2.579	20	30		CFEDRM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC000799462690	630310859	/nfs/dbraw/zinc/31/08/59/630310859.db2.gz	SACHKMKKJBZWMV-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)Cc1cc(C)cc(C)c1	ZINC000800443388	630384201	/nfs/dbraw/zinc/38/42/01/630384201.db2.gz	UAHSDJPLNSWWOG-UHFFFAOYSA-N	-1	0	295.404	2.606	20	30		CFEDRM
Cc1[nH]c(C=NNc2cc(F)c(F)cc2F)cc1C(=O)[O-]	ZINC000800813425	630407539	/nfs/dbraw/zinc/40/75/39/630407539.db2.gz	YUBMIPJPPKESLU-UHFFFAOYSA-N	-1	0	297.236	2.885	20	30		CFEDRM
O=c1[n-]c(N=NC2CCC[C@H]3C[C@H]32)nc2ccccc21	ZINC000800814308	630407594	/nfs/dbraw/zinc/40/75/94/630407594.db2.gz	SUJNHNJUMGMMGB-GXSJLCMTSA-N	-1	0	268.320	2.923	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1sccc1C	ZINC000802869592	630558060	/nfs/dbraw/zinc/55/80/60/630558060.db2.gz	DCEOBJIUBJURPD-UHFFFAOYSA-N	-1	0	299.417	2.630	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2ccc(F)nc2)c1	ZINC000806558659	630811186	/nfs/dbraw/zinc/81/11/86/630811186.db2.gz	INVDWAQZCKWMDI-GQCTYLIASA-N	-1	0	271.247	2.815	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)nn1	ZINC000806571993	630813863	/nfs/dbraw/zinc/81/38/63/630813863.db2.gz	SJMXVYCAYMHXKW-GQCTYLIASA-N	-1	0	275.283	2.600	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C1/Cc2c(ccc([O-])c2F)C1=O	ZINC000806574689	630814918	/nfs/dbraw/zinc/81/49/18/630814918.db2.gz	FWWMCXMFDMSQOE-ALCCZGGFSA-N	-1	0	292.697	2.741	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)SCc1ccccc1	ZINC000837043879	630943345	/nfs/dbraw/zinc/94/33/45/630943345.db2.gz	HJFFFMTZUOUNAV-NSHDSACASA-N	-1	0	251.351	2.542	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000837042748	630943609	/nfs/dbraw/zinc/94/36/09/630943609.db2.gz	FEPFCUIAQCXSDQ-UHFFFAOYSA-N	-1	0	251.713	2.605	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1	ZINC000808979872	631061555	/nfs/dbraw/zinc/06/15/55/631061555.db2.gz	OEHJLPODJIXBOX-GFCCVEGCSA-N	-1	0	298.367	2.834	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(C3CC3)cc2)C(=O)O1	ZINC000840715630	631176521	/nfs/dbraw/zinc/17/65/21/631176521.db2.gz	QNIXVSRPTJMURP-MDGVGCGJSA-N	-1	0	296.322	2.792	20	30		CFEDRM
C/C(=C\c1ccc(C)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000810083651	631324000	/nfs/dbraw/zinc/32/40/00/631324000.db2.gz	PSSQTTFFUYDEBB-YRNVUSSQSA-N	-1	0	291.314	2.503	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N1CC[C@](C)(C(=O)[O-])C1	ZINC000841495696	631417100	/nfs/dbraw/zinc/41/71/00/631417100.db2.gz	QTUNPRZCVWUUCS-KRWDZBQOSA-N	-1	0	295.342	2.716	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)CC1	ZINC000810985260	631491136	/nfs/dbraw/zinc/49/11/36/631491136.db2.gz	FNKXADDFSGFJIP-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(C)C)CC1	ZINC000810985602	631491216	/nfs/dbraw/zinc/49/12/16/631491216.db2.gz	CASWNGXKZZCGMC-GFCCVEGCSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)CC1	ZINC000810982594	631491343	/nfs/dbraw/zinc/49/13/43/631491343.db2.gz	UDIINEHDYAQRPC-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
COCCCON=C1CCCCc2cc(C(=O)[O-])ccc21	ZINC000811650245	631593253	/nfs/dbraw/zinc/59/32/53/631593253.db2.gz	RXAYAOMPBSKSSC-UHFFFAOYSA-N	-1	0	291.347	2.868	20	30		CFEDRM
CCCCCCCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000113650207	635643742	/nfs/dbraw/zinc/64/37/42/635643742.db2.gz	XGTMEXNAJIJRGL-NEPJUHHUSA-N	-1	0	255.358	2.716	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2csc(C(=O)[O-])c2)n1	ZINC000811690170	631606107	/nfs/dbraw/zinc/60/61/07/631606107.db2.gz	WKZUNRZGUFXQSU-OWOJBTEDSA-N	-1	0	290.325	2.671	20	30		CFEDRM
N#Cc1csc(C=CC(=O)c2sccc2[O-])n1	ZINC000811693448	631606897	/nfs/dbraw/zinc/60/68/97/631606897.db2.gz	JDUHTBGHZINFJB-OWOJBTEDSA-N	-1	0	262.315	2.678	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)cn1	ZINC000842535912	631656009	/nfs/dbraw/zinc/65/60/09/631656009.db2.gz	JVTOKIUTJCEVSX-VHSXEESVSA-N	-1	0	257.293	2.534	20	30		CFEDRM
C[C@H]1C(=NNC23CC(C2)C3)CC[C@H](C(=O)[O-])C1(C)C	ZINC000842544096	631659880	/nfs/dbraw/zinc/65/98/80/631659880.db2.gz	PRHQOJPUOVYIOD-BFVXHGPNSA-N	-1	0	264.369	2.641	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c(C(F)F)n1	ZINC000812243912	631679239	/nfs/dbraw/zinc/67/92/39/631679239.db2.gz	VLYXQUKUPCXECI-GORDUTHDSA-N	-1	0	294.257	2.665	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CC)Oc1ccccc1C(C)C	ZINC000812784029	631774465	/nfs/dbraw/zinc/77/44/65/631774465.db2.gz	RLIXUSOFINNHQU-AWEZNQCLSA-N	-1	0	275.348	2.648	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl	ZINC000812783454	631774814	/nfs/dbraw/zinc/77/48/14/631774814.db2.gz	PXUMLSQNIBXALW-MRVPVSSYSA-N	-1	0	272.131	2.778	20	30		CFEDRM
COc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000842941888	631788577	/nfs/dbraw/zinc/78/85/77/631788577.db2.gz	UFDIAKSPDNUYEO-JTQLQIEISA-N	-1	0	299.355	2.914	20	30		CFEDRM
C[C@H]1CCN(c2nc3ccccc3cc2C#N)C[C@H]1C(=O)[O-]	ZINC000843037408	631808890	/nfs/dbraw/zinc/80/88/90/631808890.db2.gz	WXFRIEUKMNTTTP-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	ZINC000843266056	631914228	/nfs/dbraw/zinc/91/42/28/631914228.db2.gz	ZXAGRNWEXLPQMA-PGHXDSNTSA-N	-1	0	260.293	2.908	20	30		CFEDRM
O=C(C=Cc1cnn(CC(F)F)c1)c1sccc1[O-]	ZINC000814189536	632027800	/nfs/dbraw/zinc/02/78/00/632027800.db2.gz	FOXRDVFQEJDBCJ-UPHRSURJSA-N	-1	0	284.287	2.811	20	30		CFEDRM
Cc1cccnc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000105356217	632062240	/nfs/dbraw/zinc/06/22/40/632062240.db2.gz	BSQDZDXUJZCERP-OVCLIPMQSA-N	-1	0	271.276	2.623	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ncc(Cl)s2)cc1	ZINC000814680748	632106628	/nfs/dbraw/zinc/10/66/28/632106628.db2.gz	GRPBBCLBGFOOPY-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000814682746	632107839	/nfs/dbraw/zinc/10/78/39/632107839.db2.gz	QJWAEKRXCHRTFU-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cc(N=NC[C@@H]2CCCOC2)ccc1Cl	ZINC000814689639	632108781	/nfs/dbraw/zinc/10/87/81/632108781.db2.gz	CBGADAYUXAVINC-VIFPVBQESA-N	-1	0	282.727	2.863	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc3oncc3c2)c1	ZINC000814687925	632109160	/nfs/dbraw/zinc/10/91/60/632109160.db2.gz	XZDHZNRKPYJWTR-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
C[C@@H]1C(N=Nc2nc3ccccc3[nH]2)CC[C@H]1CC(=O)[O-]	ZINC000814708758	632111326	/nfs/dbraw/zinc/11/13/26/632111326.db2.gz	LPACLZPITQJKEK-UWVGGRQHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ncc(Cl)cc2Cl)C1	ZINC000814740003	632116240	/nfs/dbraw/zinc/11/62/40/632116240.db2.gz	FQMLWIJQFILEHQ-UHFFFAOYSA-N	-1	0	274.107	2.651	20	30		CFEDRM
COc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814777541	632121807	/nfs/dbraw/zinc/12/18/07/632121807.db2.gz	TUTATFQIMTWSRB-GHMZBOCLSA-N	-1	0	276.336	2.984	20	30		CFEDRM
N#Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814803044	632126964	/nfs/dbraw/zinc/12/69/64/632126964.db2.gz	HIJGLRHRTGYXHK-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C[C@H]2C)nc1	ZINC000814831909	632134516	/nfs/dbraw/zinc/13/45/16/632134516.db2.gz	WQZOHXPTRBGMHZ-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCCCOc2ccccc2)c1	ZINC000814838532	632135090	/nfs/dbraw/zinc/13/50/90/632135090.db2.gz	RIRLPSFRSNKTKY-UHFFFAOYSA-N	-1	0	298.342	2.777	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc2ccccc12	ZINC000814841486	632136176	/nfs/dbraw/zinc/13/61/76/632136176.db2.gz	PAMSCLPXVFITRK-NWDGAFQWSA-N	-1	0	297.358	2.945	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(F)cn2)CC[C@@H]1C(=O)[O-]	ZINC000814842274	632136790	/nfs/dbraw/zinc/13/67/90/632136790.db2.gz	ACOUHPHYQGFIKD-KCJUWKMLSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@H]1C(N=Nc2cnnc3ccccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814849478	632138144	/nfs/dbraw/zinc/13/81/44/632138144.db2.gz	XDTXFFHVXUHZRG-GHMZBOCLSA-N	-1	0	298.346	2.919	20	30		CFEDRM
CC(=NNc1ccncc1Cl)c1cc(C(=O)[O-])cs1	ZINC000814868841	632143466	/nfs/dbraw/zinc/14/34/66/632143466.db2.gz	KYGWAJSWIOYBPJ-UHFFFAOYSA-N	-1	0	295.751	2.753	20	30		CFEDRM
C[C@H]1CC(N=NCCc2ccccc2F)CC[C@H]1C(=O)[O-]	ZINC000814875287	632144778	/nfs/dbraw/zinc/14/47/78/632144778.db2.gz	AGCKOGNHJHNJBD-SMDDNHRTSA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@@H]1CC(N=NCCc2ccccc2F)CC[C@H]1C(=O)[O-]	ZINC000814875284	632144912	/nfs/dbraw/zinc/14/49/12/632144912.db2.gz	AGCKOGNHJHNJBD-BXUZGUMPSA-N	-1	0	292.354	2.835	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]1C1CC1	ZINC000814887385	632149022	/nfs/dbraw/zinc/14/90/22/632149022.db2.gz	NHZAXXPYAFHDRR-LLVKDONJSA-N	-1	0	274.320	2.981	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[C@H]1CC(=O)[O-]	ZINC000814900100	632154897	/nfs/dbraw/zinc/15/48/97/632154897.db2.gz	DGLYIPINLGGQBK-UWVGGRQHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
CC(=NNC1CC1)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814903457	632156681	/nfs/dbraw/zinc/15/66/81/632156681.db2.gz	KJCGABSAMNVFJW-UHFFFAOYSA-N	-1	0	286.331	2.844	20	30		CFEDRM
C[C@H]1C(=NOCCC(F)(F)F)CC[C@@H]1CC(=O)[O-]	ZINC000814909309	632159671	/nfs/dbraw/zinc/15/96/71/632159671.db2.gz	GWFLTIMNNJFZLZ-HTQZYQBOSA-N	-1	0	267.247	2.832	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC1CCCCC1	ZINC000814910070	632160555	/nfs/dbraw/zinc/16/05/55/632160555.db2.gz	QCQOJZUHLSSABO-MNOVXSKESA-N	-1	0	252.358	2.786	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814911313	632160709	/nfs/dbraw/zinc/16/07/09/632160709.db2.gz	ATDPJLSHIOPADA-PWSUYJOCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C(=NOC[C@@H]2CCOC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814912470	632161838	/nfs/dbraw/zinc/16/18/38/632161838.db2.gz	UEZFTENASZOJLL-IJLUTSLNSA-N	-1	0	283.368	2.552	20	30		CFEDRM
CC[C@@H](C)NN=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000814912773	632162367	/nfs/dbraw/zinc/16/23/67/632162367.db2.gz	AMOODCNVXFDIQD-GFCCVEGCSA-N	-1	0	292.379	2.847	20	30		CFEDRM
CC[C@H](C)NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814913599	632162381	/nfs/dbraw/zinc/16/23/81/632162381.db2.gz	QUXUELKMVUNCIK-QMMMGPOBSA-N	-1	0	254.717	2.760	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814916582	632163428	/nfs/dbraw/zinc/16/34/28/632163428.db2.gz	JECAKOWUFFNCFJ-QWRGUYRKSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814916581	632163551	/nfs/dbraw/zinc/16/35/51/632163551.db2.gz	JECAKOWUFFNCFJ-MNOVXSKESA-N	-1	0	290.367	2.889	20	30		CFEDRM
CSCCON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814921827	632166053	/nfs/dbraw/zinc/16/60/53/632166053.db2.gz	DZWQWZMLYAXMGD-UHFFFAOYSA-N	-1	0	273.741	2.752	20	30		CFEDRM
N#Cc1ccc(N=NC2CC(C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000814923467	632166207	/nfs/dbraw/zinc/16/62/07/632166207.db2.gz	SILFATGZSVOZIP-UHFFFAOYSA-N	-1	0	297.236	2.840	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1ncccc1F	ZINC000814927507	632168313	/nfs/dbraw/zinc/16/83/13/632168313.db2.gz	RDJOGGHDKXNFTF-UHFFFAOYSA-N	-1	0	287.294	2.982	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1cc(C(=O)[O-])cs1	ZINC000814928745	632169575	/nfs/dbraw/zinc/16/95/75/632169575.db2.gz	GVBLHAXLFZUMBP-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
COCCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814931861	632170192	/nfs/dbraw/zinc/17/01/92/632170192.db2.gz	VBVRKVJPXYUTHS-MNOVXSKESA-N	-1	0	271.357	2.552	20	30		CFEDRM
C[C@@H]1CC(=NNCC2CCCC2)CC[C@H]1C(=O)[O-]	ZINC000814933122	632171075	/nfs/dbraw/zinc/17/10/75/632171075.db2.gz	DZFRMDYKCZFHHG-ZWNOBZJWSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CC1(CN=NC2CCC(C(=O)[O-])CC2)CCCC1	ZINC000814937623	632174284	/nfs/dbraw/zinc/17/42/84/632174284.db2.gz	MVVRYYDKIRUBMV-UHFFFAOYSA-N	-1	0	252.358	2.787	20	30		CFEDRM
C[C@H]1C(N=Nc2ncncc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814939934	632175293	/nfs/dbraw/zinc/17/52/93/632175293.db2.gz	JQOZYWXIOIDXSA-IUCAKERBSA-N	-1	0	294.330	2.541	20	30		CFEDRM
C[C@@H]1C(=NOCC2CC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814941184	632176104	/nfs/dbraw/zinc/17/61/04/632176104.db2.gz	PTXWSYDPEHFSHL-MWLCHTKSSA-N	-1	0	253.342	2.926	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCCC2CC2)C1	ZINC000814941752	632176429	/nfs/dbraw/zinc/17/64/29/632176429.db2.gz	SULGQFOLJGPFFR-UHFFFAOYSA-N	-1	0	273.332	2.976	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000814958221	632179757	/nfs/dbraw/zinc/17/97/57/632179757.db2.gz	FUGQNFZSEXVLCV-UHFFFAOYSA-N	-1	0	298.342	2.664	20	30		CFEDRM
CCCCCCOc1cccc(C=NNCC(=O)[O-])c1	ZINC000814959015	632179805	/nfs/dbraw/zinc/17/98/05/632179805.db2.gz	GEBXAIHTIDMGPE-UHFFFAOYSA-N	-1	0	278.352	2.654	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1cc(F)c(Cl)cc1Cl	ZINC000814958479	632179816	/nfs/dbraw/zinc/17/98/16/632179816.db2.gz	WLXBLPYUEOZNGL-UHFFFAOYSA-N	-1	0	279.098	2.531	20	30		CFEDRM
O=C([O-])CNN=Cc1sc2ccccc2c1Cl	ZINC000814959285	632179934	/nfs/dbraw/zinc/17/99/34/632179934.db2.gz	YMDKAARUUBVFNH-UHFFFAOYSA-N	-1	0	268.725	2.563	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000814960861	632180536	/nfs/dbraw/zinc/18/05/36/632180536.db2.gz	WZWYDUMINAOYJA-UHFFFAOYSA-N	-1	0	278.695	2.608	20	30		CFEDRM
C=C(C)CON=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000844619342	632265137	/nfs/dbraw/zinc/26/51/37/632265137.db2.gz	YCFWWHPVOYWPLM-UHFFFAOYSA-N	-1	0	280.280	2.626	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cc2n(n1)CCC2	ZINC000844623645	632266666	/nfs/dbraw/zinc/26/66/66/632266666.db2.gz	PDSNFORUTSVBFA-UHFFFAOYSA-N	-1	0	298.346	2.672	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cn(C)c(C)n1	ZINC000844622593	632266826	/nfs/dbraw/zinc/26/68/26/632266826.db2.gz	GUMBBMMOAFAFMN-UHFFFAOYSA-N	-1	0	286.335	2.571	20	30		CFEDRM
CCCn1cc(C=NNc2cccc(C(=O)[O-])c2C)cn1	ZINC000844622915	632266847	/nfs/dbraw/zinc/26/68/47/632266847.db2.gz	FUQKYKOTCIDLQI-UHFFFAOYSA-N	-1	0	286.335	2.746	20	30		CFEDRM
CO[C@@](C)(CN=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000844623369	632267093	/nfs/dbraw/zinc/26/70/93/632267093.db2.gz	MMCNKLLQIHMFNF-HNNXBMFYSA-N	-1	0	276.336	2.906	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cnn(C)c1C	ZINC000844625218	632268497	/nfs/dbraw/zinc/26/84/97/632268497.db2.gz	WGKLUVXTYPUNOH-UHFFFAOYSA-N	-1	0	286.335	2.571	20	30		CFEDRM
Cc1cncc(CCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000815878091	632327821	/nfs/dbraw/zinc/32/78/21/632327821.db2.gz	SJBXIBVBSSLXIU-UHFFFAOYSA-N	-1	0	281.315	2.539	20	30		CFEDRM
CC[C@@H](C#N)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000845854346	632583149	/nfs/dbraw/zinc/58/31/49/632583149.db2.gz	PBBGBRQAMVEEKR-JTQLQIEISA-N	-1	0	286.253	2.803	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(Cl)ccc(C)c1C	ZINC000846145601	632645976	/nfs/dbraw/zinc/64/59/76/632645976.db2.gz	AENMXJGSBJYJTL-UHFFFAOYSA-N	-1	0	296.754	2.519	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCCC)cc1	ZINC000846151814	632647760	/nfs/dbraw/zinc/64/77/60/632647760.db2.gz	HPNZROZBUVYWBJ-GFCCVEGCSA-N	-1	0	290.363	2.590	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](SC)c1ccccc1	ZINC000846536876	632726576	/nfs/dbraw/zinc/72/65/76/632726576.db2.gz	DJXRFOXYUZHISV-LBPRGKRZSA-N	-1	0	251.351	2.715	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846539908	632728884	/nfs/dbraw/zinc/72/88/84/632728884.db2.gz	ILHBAGSGOINRSU-SNVBAGLBSA-N	-1	0	296.348	2.699	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cccc(C(F)(F)F)c1	ZINC000846541067	632729642	/nfs/dbraw/zinc/72/96/42/632729642.db2.gz	CQVSINIMMZSLOT-SECBINFHSA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(/C=C\C)cc1OC	ZINC000846541397	632730039	/nfs/dbraw/zinc/73/00/39/632730039.db2.gz	VUMBPUXBWRBMDG-WAYWQWQTSA-N	-1	0	291.347	2.731	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(SC)cc1	ZINC000846544796	632732749	/nfs/dbraw/zinc/73/27/49/632732749.db2.gz	JMNSLLWKZHPTMA-GHMZBOCLSA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(SC)cc1	ZINC000846544799	632733195	/nfs/dbraw/zinc/73/31/95/632733195.db2.gz	JMNSLLWKZHPTMA-WDEREUQCSA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1cccc(Cl)c1)N(C)C	ZINC000846545953	632733861	/nfs/dbraw/zinc/73/38/61/632733861.db2.gz	QWNMWJPAYGHWIF-ZWNOBZJWSA-N	-1	0	282.771	2.565	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1csc(-c2ccc(C)o2)n1	ZINC000846545639	632734489	/nfs/dbraw/zinc/73/44/89/632734489.db2.gz	YDIANQHPOLHRER-SECBINFHSA-N	-1	0	292.360	2.876	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CNc1cccc(C(F)(F)F)c1	ZINC000846546901	632734931	/nfs/dbraw/zinc/73/49/31/632734931.db2.gz	ZYNRBKBGOIWVFE-SECBINFHSA-N	-1	0	288.269	2.740	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cccc(C(C)C)c1	ZINC000846548182	632736290	/nfs/dbraw/zinc/73/62/90/632736290.db2.gz	CXTLQNPREFQZGQ-LBPRGKRZSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)SCc1ccccc1	ZINC000846549383	632737654	/nfs/dbraw/zinc/73/76/54/632737654.db2.gz	JVHBHYHNEFPBAG-VXGBXAGGSA-N	-1	0	265.378	2.931	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@]1(C)CCCc2ccccc21	ZINC000846548781	632737691	/nfs/dbraw/zinc/73/76/91/632737691.db2.gz	HDAOQLRSLWJDOH-MLGOLLRUSA-N	-1	0	259.349	2.903	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CC(=O)C1	ZINC000846552410	632739584	/nfs/dbraw/zinc/73/95/84/632739584.db2.gz	HBVJMLQORUERBW-SNVBAGLBSA-N	-1	0	293.750	2.563	20	30		CFEDRM
CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000106537435	632799839	/nfs/dbraw/zinc/79/98/39/632799839.db2.gz	NGKMULQQEFQOCM-GFCCVEGCSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C#CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000847494058	632993330	/nfs/dbraw/zinc/99/33/30/632993330.db2.gz	SALQUYVQSNWREU-UHFFFAOYSA-N	-1	0	271.238	2.553	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(C)c(C)c2)CCOCC1	ZINC000848201186	633217465	/nfs/dbraw/zinc/21/74/65/633217465.db2.gz	UBWXETMNEQCBGG-UHFFFAOYSA-N	-1	0	289.375	2.585	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000848244784	633222934	/nfs/dbraw/zinc/22/29/34/633222934.db2.gz	DRQPOEUZMKPBEO-GXFFZTMASA-N	-1	0	282.771	2.565	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000848275413	633228572	/nfs/dbraw/zinc/22/85/72/633228572.db2.gz	NKYDOPPVIWIWMW-SNVBAGLBSA-N	-1	0	297.276	2.896	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-]	ZINC000848457427	633261637	/nfs/dbraw/zinc/26/16/37/633261637.db2.gz	GXXMZYHHYPBRTF-AWEZNQCLSA-N	-1	0	292.379	2.554	20	30		CFEDRM
N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000852909449	634858921	/nfs/dbraw/zinc/85/89/21/634858921.db2.gz	YQQZTKFQRJNIIZ-APPZFPTMSA-N	-1	0	299.252	2.637	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2O)c2ncnn21	ZINC000849170713	633578409	/nfs/dbraw/zinc/57/84/09/633578409.db2.gz	SWYZZJOIOUHUGZ-XGYWNSKWSA-N	-1	0	276.727	2.762	20	30		CFEDRM
C=CCCC1(CNC(=O)N(CC=C)CC(=O)[O-])CCCC1	ZINC000849238493	633587911	/nfs/dbraw/zinc/58/79/11/633587911.db2.gz	ZZVSTYISJSQSGE-UHFFFAOYSA-N	-1	0	294.395	2.795	20	30		CFEDRM
CO[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1	ZINC000852997991	634870371	/nfs/dbraw/zinc/87/03/71/634870371.db2.gz	GKQMWSNJMVIXIY-HVVQPJKBSA-N	-1	0	292.335	2.925	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC2(Cl)Cl)cc1	ZINC000853252739	634951998	/nfs/dbraw/zinc/95/19/98/634951998.db2.gz	SXWORZNRYABCDF-QMMMGPOBSA-N	-1	0	273.119	2.976	20	30		CFEDRM
CC[C@H]1CCCC(N=Nc2nnc(C)c(=O)[n-]2)CC1	ZINC000853269897	634956438	/nfs/dbraw/zinc/95/64/38/634956438.db2.gz	BCSVSDKTXDOANY-JTQLQIEISA-N	-1	0	263.345	2.644	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CC1(Cl)Cl	ZINC000853280119	634958334	/nfs/dbraw/zinc/95/83/34/634958334.db2.gz	FIMNMZRXPSWENZ-ZETCQYMHSA-N	-1	0	273.119	2.976	20	30		CFEDRM
CO[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000853369984	634985399	/nfs/dbraw/zinc/98/53/99/634985399.db2.gz	BYSLTCGNWZEEDV-ZDUSSCGKSA-N	-1	0	262.309	2.516	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)C1CCCC1	ZINC000853370223	634985406	/nfs/dbraw/zinc/98/54/06/634985406.db2.gz	HETQMFORFVNBHV-HNNXBMFYSA-N	-1	0	290.363	2.917	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000853379380	634987623	/nfs/dbraw/zinc/98/76/23/634987623.db2.gz	ICXXOWMTWJIITI-JTQLQIEISA-N	-1	0	263.297	2.509	20	30		CFEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854530916	635328805	/nfs/dbraw/zinc/32/88/05/635328805.db2.gz	DJWTYLZHBGUEAK-AWEZNQCLSA-N	-1	0	287.344	2.539	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]Oc2ccccc2)CC12CCCC2	ZINC000854536765	635331116	/nfs/dbraw/zinc/33/11/16/635331116.db2.gz	VFKDLVZYPAEFSA-HNNXBMFYSA-N	-1	0	256.305	2.571	20	30		CFEDRM
C#C[C@@](C)(CC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854704180	635377021	/nfs/dbraw/zinc/37/70/21/635377021.db2.gz	MQHVXCKSFUBBIF-AWEZNQCLSA-N	-1	0	274.345	2.648	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccc(F)cc2)CCCCC1	ZINC000855603970	635596222	/nfs/dbraw/zinc/59/62/22/635596222.db2.gz	WXJZXYZRYZCNNV-UHFFFAOYSA-N	-1	0	275.323	2.709	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(C(C)C)cc1	ZINC000856029295	635704260	/nfs/dbraw/zinc/70/42/60/635704260.db2.gz	HVVJZHUVIFFJLG-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc2c(c1)CCC2	ZINC000856030117	635705273	/nfs/dbraw/zinc/70/52/73/635705273.db2.gz	PMIVQNBBEDFHQE-LBPRGKRZSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](SC)c1ccccc1	ZINC000856032035	635706472	/nfs/dbraw/zinc/70/64/72/635706472.db2.gz	IEFWQXXHALYKLN-GFCCVEGCSA-N	-1	0	251.351	2.715	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000048422340	650265097	/nfs/dbraw/zinc/26/50/97/650265097.db2.gz	AIUSLFDRIOMZCL-JTQLQIEISA-N	-1	0	255.339	2.686	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000048473943	650268409	/nfs/dbraw/zinc/26/84/09/650268409.db2.gz	OBYCRKKTANSROS-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
Cc1ccc(SCCC(=O)[N-]S(C)(=O)=O)cc1C	ZINC000048479927	650268659	/nfs/dbraw/zinc/26/86/59/650268659.db2.gz	RKIUVJDRKXZLDU-UHFFFAOYSA-N	-1	0	287.406	2.702	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048587270	650272539	/nfs/dbraw/zinc/27/25/39/650272539.db2.gz	AGZDPMGZRQFKPM-BQYQJAHWSA-N	-1	0	295.291	2.777	20	30		CFEDRM
CCC(C#N)(CC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000860199498	636824820	/nfs/dbraw/zinc/82/48/20/636824820.db2.gz	CHKQIFQINDIPED-UHFFFAOYSA-N	-1	0	292.291	2.674	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000075039851	650312936	/nfs/dbraw/zinc/31/29/36/650312936.db2.gz	WCIQTHACWLVRAP-VIFPVBQESA-N	-1	0	273.329	2.825	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccccc2)CCCCCC1	ZINC000862184271	637285522	/nfs/dbraw/zinc/28/55/22/637285522.db2.gz	FDECQQKXSAWKTJ-UHFFFAOYSA-N	-1	0	271.360	2.960	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000862570496	637436952	/nfs/dbraw/zinc/43/69/52/637436952.db2.gz	ISHPCYPQZGCDBR-SNVBAGLBSA-N	-1	0	263.724	2.531	20	30		CFEDRM
CC1(O)CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000863118504	637563500	/nfs/dbraw/zinc/56/35/00/637563500.db2.gz	ZLKJKBXOMAAWOY-UHFFFAOYSA-N	-1	0	280.299	2.617	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC000864155099	637894710	/nfs/dbraw/zinc/89/47/10/637894710.db2.gz	HCPCWKNGKAQNBI-CYBMUJFWSA-N	-1	0	285.343	2.569	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864156350	637895665	/nfs/dbraw/zinc/89/56/65/637895665.db2.gz	ULAPLJBHBHFXQD-KRYZUYOTSA-N	-1	0	287.315	2.701	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000864183266	637906741	/nfs/dbraw/zinc/90/67/41/637906741.db2.gz	DFDIDHMNDMHETE-SECBINFHSA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C)cc1C)C(=O)[O-]	ZINC000864181548	637906803	/nfs/dbraw/zinc/90/68/03/637906803.db2.gz	CWOGPNOKIJCRMC-GFCCVEGCSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1c(C)oc(C)c1C)C(=O)[O-]	ZINC000864185629	637907158	/nfs/dbraw/zinc/90/71/58/637907158.db2.gz	YBEQUBIILBQBSR-JTQLQIEISA-N	-1	0	285.727	2.530	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864184557	637907268	/nfs/dbraw/zinc/90/72/68/637907268.db2.gz	ORGZYHWZDCDAJQ-GWCFXTLKSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)CCCC)C(=O)[O-]	ZINC000864185863	637907295	/nfs/dbraw/zinc/90/72/95/637907295.db2.gz	DUMGIYVMAPLZSQ-PSASIEDQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cc(C)ccc1C)C(=O)[O-]	ZINC000864184554	637907404	/nfs/dbraw/zinc/90/74/04/637907404.db2.gz	ORFJLJALOTXHHY-ZDUSSCGKSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCc1ccc(C)cc1)C(=O)[O-]	ZINC000864184811	637907829	/nfs/dbraw/zinc/90/78/29/637907829.db2.gz	RTUBTFPSNONDBN-CYBMUJFWSA-N	-1	0	295.766	2.640	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000864187049	637908464	/nfs/dbraw/zinc/90/84/64/637908464.db2.gz	CRPLTRWOKCELQD-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCCCCC)C(=O)[O-]	ZINC000864188909	637909244	/nfs/dbraw/zinc/90/92/44/637909244.db2.gz	XMLULYYHGMTZLG-GFCCVEGCSA-N	-1	0	255.358	2.883	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC000864189742	637909562	/nfs/dbraw/zinc/90/95/62/637909562.db2.gz	SVRZXULYRMKWLV-LURJTMIESA-N	-1	0	293.653	2.543	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@](C)(CC(=O)[O-])C1CC1	ZINC000864199576	637913561	/nfs/dbraw/zinc/91/35/61/637913561.db2.gz	JAWHQVAXCIXRBH-OAHLLOKOSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)O1	ZINC000864347023	637947907	/nfs/dbraw/zinc/94/79/07/637947907.db2.gz	IOKUFLLNXIKJQB-YEKLMYBRSA-N	-1	0	298.726	2.939	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2C(F)(F)F)c1	ZINC000864347620	637948542	/nfs/dbraw/zinc/94/85/42/637948542.db2.gz	UYXBQMWRWBWEJM-NKFZFOSBSA-N	-1	0	274.198	2.670	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)NCCCC(C)(C)C)C(=O)[O-]	ZINC000864525774	638012044	/nfs/dbraw/zinc/01/20/44/638012044.db2.gz	LLWADQIVFKGQGY-JTQLQIEISA-N	-1	0	290.791	2.708	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000864527661	638012592	/nfs/dbraw/zinc/01/25/92/638012592.db2.gz	GVJMMEVTHLVGMI-WPRPVWTQSA-N	-1	0	290.791	2.564	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000864527659	638012632	/nfs/dbraw/zinc/01/26/32/638012632.db2.gz	GVJMMEVTHLVGMI-WCBMZHEXSA-N	-1	0	290.791	2.564	20	30		CFEDRM
C=C(C)C[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000864529013	638013342	/nfs/dbraw/zinc/01/33/42/638013342.db2.gz	BLURXUZXIKNLRP-LLVKDONJSA-N	-1	0	282.409	2.950	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1	ZINC000076756883	650400899	/nfs/dbraw/zinc/40/08/99/650400899.db2.gz	ZHRGIRSIJAUEHK-UHFFFAOYSA-N	-1	0	297.376	2.921	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000076756695	650401009	/nfs/dbraw/zinc/40/10/09/650401009.db2.gz	OKQLAUDCPYTJLW-MRVPVSSYSA-N	-1	0	261.368	2.830	20	30		CFEDRM
CCCn1cc(/C=C/C(=O)c2ccc(C)cc2[O-])nn1	ZINC000865220791	638226160	/nfs/dbraw/zinc/22/61/60/638226160.db2.gz	QGOHYRGBWJXTSC-FNORWQNLSA-N	-1	0	271.320	2.598	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881611	650459150	/nfs/dbraw/zinc/45/91/50/650459150.db2.gz	OCXUNEQSKIFVMM-LLVKDONJSA-N	-1	0	293.344	2.984	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cccc(OC)c1	ZINC000869154475	639050473	/nfs/dbraw/zinc/05/04/73/639050473.db2.gz	SZTNMXCFVXCDOH-LLVKDONJSA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cccc(OC)c1	ZINC000869154480	639050730	/nfs/dbraw/zinc/05/07/30/639050730.db2.gz	SZTNMXCFVXCDOH-NSHDSACASA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1Cc2ccc(Cl)cc21	ZINC000869154499	639050841	/nfs/dbraw/zinc/05/08/41/639050841.db2.gz	UAQZWDMAZIKDSD-PELKAZGASA-N	-1	0	251.713	2.602	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccnc3ccccc32)CC1	ZINC000869153944	639051212	/nfs/dbraw/zinc/05/12/12/639051212.db2.gz	IUKCUDKOEUPQLF-GFCCVEGCSA-N	-1	0	282.343	2.889	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)OCc1cccc(C)c1	ZINC000869282391	639132462	/nfs/dbraw/zinc/13/24/62/639132462.db2.gz	KIMWIOPXTGJILY-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(F)cc1F	ZINC000191258469	650485966	/nfs/dbraw/zinc/48/59/66/650485966.db2.gz	WEOIZUSJUSGDFJ-SNVBAGLBSA-N	-1	0	297.301	2.558	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2Cc3ccccc3O2)c1	ZINC000078407316	650498690	/nfs/dbraw/zinc/49/86/90/650498690.db2.gz	QIJUWLCELCEVKJ-IREQLNLFSA-N	-1	0	298.298	2.723	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)s1	ZINC000870143460	639528582	/nfs/dbraw/zinc/52/85/82/639528582.db2.gz	SZONMNPDPNLVCB-LLVKDONJSA-N	-1	0	278.377	2.548	20	30		CFEDRM
Cc1cc2cc(C([O-])=C(C#N)C(=O)NC(C)C)oc2cc1C	ZINC000122968643	639531589	/nfs/dbraw/zinc/53/15/89/639531589.db2.gz	XGOVUEPJHIFZEQ-CYBMUJFWSA-N	-1	0	298.342	2.897	20	30		CFEDRM
N#CC(=C([O-])c1conc1C1CCCC1)c1ccncn1	ZINC000870287911	639581004	/nfs/dbraw/zinc/58/10/04/639581004.db2.gz	MVCQNRDHGWMJMF-LLVKDONJSA-N	-1	0	282.303	2.612	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C)(C)CC1	ZINC000123115792	639621838	/nfs/dbraw/zinc/62/18/38/639621838.db2.gz	IWSUQYDHWLXQGU-GFCCVEGCSA-N	-1	0	287.363	2.528	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C23CCC(CC2)C3)c1	ZINC000870691405	639773439	/nfs/dbraw/zinc/77/34/39/639773439.db2.gz	KGLWNHGDQSLAMB-UHFFFAOYSA-N	-1	0	256.305	2.549	20	30		CFEDRM
CC(C)[C@]1(C)C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691196	639773911	/nfs/dbraw/zinc/77/39/11/639773911.db2.gz	GWEOOJNBXLDAPV-ZFWWWQNUSA-N	-1	0	258.321	2.650	20	30		CFEDRM
CCCCCCOCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693243	639775936	/nfs/dbraw/zinc/77/59/36/639775936.db2.gz	ZSBFMGLGNCYWCV-UHFFFAOYSA-N	-1	0	276.336	2.565	20	30		CFEDRM
Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)o1	ZINC000079137309	650563235	/nfs/dbraw/zinc/56/32/35/650563235.db2.gz	BBRYDFHJCQZWFR-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](CC)CCCC)CC1	ZINC000870834466	641091715	/nfs/dbraw/zinc/09/17/15/641091715.db2.gz	FEUDZJXLDZHEGB-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCCCC(F)(F)F)CC12CCCC2	ZINC000871215598	641252289	/nfs/dbraw/zinc/25/22/89/641252289.db2.gz	CCEKPYYRFVVARM-LBPRGKRZSA-N	-1	0	290.285	2.851	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Cl)c1	ZINC000193367902	650647677	/nfs/dbraw/zinc/64/76/77/650647677.db2.gz	WXEJQFYBUGMZRK-ZDUSSCGKSA-N	-1	0	292.766	2.969	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccnn2CC2CCC2)cc1	ZINC000872324700	641756741	/nfs/dbraw/zinc/75/67/41/641756741.db2.gz	XOFKLLVQUHQGCA-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
CC1(C)C[C@H](NN=Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000872365731	641772328	/nfs/dbraw/zinc/77/23/28/641772328.db2.gz	DHQKLCXFPYVCRP-SNVBAGLBSA-N	-1	0	284.306	2.552	20	30		CFEDRM
CC[C@H](NN=Cc1ccccc1CC(F)(F)F)C(=O)[O-]	ZINC000872376897	641780731	/nfs/dbraw/zinc/78/07/31/641780731.db2.gz	VAPAENAUXXEXSO-NSHDSACASA-N	-1	0	288.269	2.578	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1ccc(F)c(F)c1[O-]	ZINC000872388590	641787145	/nfs/dbraw/zinc/78/71/45/641787145.db2.gz	KSNMBNLTRGOICK-VIFPVBQESA-N	-1	0	254.280	2.879	20	30		CFEDRM
C[C@@H]1C(N=NC[C@H]2CCCC2(F)F)CC[C@@H]1CC(=O)[O-]	ZINC000872406089	641795116	/nfs/dbraw/zinc/79/51/16/641795116.db2.gz	HJAWZUPFNQENOL-HBNTYKKESA-N	-1	0	288.338	2.888	20	30		CFEDRM
C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)CC[C@@H]1C(=O)[O-]	ZINC000872407034	641796281	/nfs/dbraw/zinc/79/62/81/641796281.db2.gz	OODYYRFFVAUPMP-FOGDFJRCSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC000872767106	641924818	/nfs/dbraw/zinc/92/48/18/641924818.db2.gz	LREWAQQGFDNJDS-CJNGLKHVSA-N	-1	0	277.364	2.611	20	30		CFEDRM
C#CCN(C(=O)[C@](C)(CC)CC(=O)[O-])C1CCCCC1	ZINC000872914824	641962471	/nfs/dbraw/zinc/96/24/71/641962471.db2.gz	QYLRSOUTXHDOLS-MRXNPFEDSA-N	-1	0	279.380	2.672	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)C[C@@H](C(=O)[O-])c2ccccc2)C1	ZINC000872981880	641976808	/nfs/dbraw/zinc/97/68/08/641976808.db2.gz	OTIDVXPMTCLPMZ-GOEBONIOSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872994350	641980294	/nfs/dbraw/zinc/98/02/94/641980294.db2.gz	VWYLAQUWWLNMEO-LLVKDONJSA-N	-1	0	263.337	2.509	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000873005963	641982693	/nfs/dbraw/zinc/98/26/93/641982693.db2.gz	VSEHHEYHLJHWMO-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
COc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)c(C#N)c1	ZINC000874969430	642566611	/nfs/dbraw/zinc/56/66/11/642566611.db2.gz	OZRLFJSRUYDATR-UHFFFAOYSA-N	-1	0	281.267	2.745	20	30		CFEDRM
N#Cc1ccc(F)cc1-c1cc(C=O)cc(C(=O)[O-])c1	ZINC000874969381	642566838	/nfs/dbraw/zinc/56/68/38/642566838.db2.gz	NJSTUKBWGVFXIY-UHFFFAOYSA-N	-1	0	269.231	2.875	20	30		CFEDRM
Cc1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086054823	650794828	/nfs/dbraw/zinc/79/48/28/650794828.db2.gz	DPKKWZJLULIDBK-UHFFFAOYSA-N	-1	0	297.376	2.603	20	30		CFEDRM
CCS[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)C(C)C	ZINC000086056223	650795313	/nfs/dbraw/zinc/79/53/13/650795313.db2.gz	GCBGOVKPNKHHFP-NSHDSACASA-N	-1	0	293.454	2.993	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(F)c2F)c1	ZINC000088401198	650812218	/nfs/dbraw/zinc/81/22/18/650812218.db2.gz	YHBQEVWHHFTTER-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c1	ZINC000089490517	650844485	/nfs/dbraw/zinc/84/44/85/650844485.db2.gz	BYEUJZCHONZHDI-UHFFFAOYSA-N	-1	0	287.385	2.545	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000089967366	650860376	/nfs/dbraw/zinc/86/03/76/650860376.db2.gz	IDULXTXMKSMAQV-YWEYNIOJSA-N	-1	0	298.320	2.515	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125402	650892314	/nfs/dbraw/zinc/89/23/14/650892314.db2.gz	VUGYZKNGZAUZBL-JTQLQIEISA-N	-1	0	297.376	2.703	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(F)cc1F	ZINC000880548337	644761026	/nfs/dbraw/zinc/76/10/26/644761026.db2.gz	QBKGJDQKXVYFOZ-UHFFFAOYSA-N	-1	0	269.291	2.866	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1	ZINC000880549525	644761162	/nfs/dbraw/zinc/76/11/62/644761162.db2.gz	YGPIMWIAGNKCKQ-WHOFXGATSA-N	-1	0	263.312	2.679	20	30		CFEDRM
Cc1cc(Cl)ccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000131932680	645852570	/nfs/dbraw/zinc/85/25/70/645852570.db2.gz	MPVXYTSOXDPGDO-ZDUSSCGKSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CC(=NOC1CCCCC1)c1cncc(C(=O)[O-])c1	ZINC000884451905	646365978	/nfs/dbraw/zinc/36/59/78/646365978.db2.gz	DTVUHCBYNJQIMT-UHFFFAOYSA-N	-1	0	262.309	2.853	20	30		CFEDRM
Cc1c(Cl)cnc(N2CCCC[C@H]2CC(=O)[O-])c1C#N	ZINC000886914070	647174009	/nfs/dbraw/zinc/17/40/09/647174009.db2.gz	PMONHZHQUVVSDS-JTQLQIEISA-N	-1	0	293.754	2.749	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000887324962	647271620	/nfs/dbraw/zinc/27/16/20/647271620.db2.gz	AHSYKIDGGMYSFK-VIFPVBQESA-N	-1	0	277.311	2.594	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000109626231	647820453	/nfs/dbraw/zinc/82/04/53/647820453.db2.gz	MLUATTYLZXIXMC-OLZOCXBDSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCCCCNC(=O)N(CC)C(C)(C)C(=O)[O-]	ZINC000929009518	648973311	/nfs/dbraw/zinc/97/33/11/648973311.db2.gz	RQWGAAURZABYAY-UHFFFAOYSA-N	-1	0	270.373	2.628	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](CC)c1ccccc1F	ZINC000929036999	648974389	/nfs/dbraw/zinc/97/43/89/648974389.db2.gz	IQEQYXUEFLJBOI-CYBMUJFWSA-N	-1	0	294.326	2.559	20	30		CFEDRM
CC[C@@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931330263	649410266	/nfs/dbraw/zinc/41/02/66/649410266.db2.gz	DFCBLXPHNVKQQR-ZETCQYMHSA-N	-1	0	273.119	2.731	20	30		CFEDRM
COc1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000254704057	651093664	/nfs/dbraw/zinc/09/36/64/651093664.db2.gz	DPHITQAMOYAMOW-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ncc1C#N	ZINC001243512706	782248238	/nfs/dbraw/zinc/24/82/38/782248238.db2.gz	ZDZYXFKWKBKFEV-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1ccnc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241244418	782276093	/nfs/dbraw/zinc/27/60/93/782276093.db2.gz	ISGPKTAYEPTNDV-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ncc(-c2ccc(Cl)c([O-])c2)cc1C#N	ZINC001243578776	782287477	/nfs/dbraw/zinc/28/74/77/782287477.db2.gz	QSFHKQZDPCCAJF-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
C=C(C)C[C@@H](OCCCC[P@@](=O)([O-])O)C(=C)C	ZINC001225019659	775337119	/nfs/dbraw/zinc/33/71/19/775337119.db2.gz	ZMYFHXCHQHHDTK-GFCCVEGCSA-N	-1	0	262.286	2.872	20	30		CFEDRM
CCC#C[C@@H](C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602705	777857421	/nfs/dbraw/zinc/85/74/21/777857421.db2.gz	YYDISNIBJUNGBS-ZCFIWIBFSA-N	-1	0	261.108	2.670	20	30		CFEDRM
N#CCc1ccccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210176676	770221787	/nfs/dbraw/zinc/22/17/87/770221787.db2.gz	ZWBKGLFINYUZPJ-UHFFFAOYSA-N	-1	0	253.261	2.589	20	30		CFEDRM
Cc1cc(C#N)cc(C#N)c1Nc1ccc(C(=O)[O-])nc1	ZINC001210175163	770222675	/nfs/dbraw/zinc/22/26/75/770222675.db2.gz	GAAQBDOBBRULEM-UHFFFAOYSA-N	-1	0	278.271	2.575	20	30		CFEDRM
C=C1CCC(CNC(=O)c2oc(C(=O)[O-])cc2C)CC1	ZINC000724441208	770884075	/nfs/dbraw/zinc/88/40/75/770884075.db2.gz	UTEOVICVWIVYDS-UHFFFAOYSA-N	-1	0	277.320	2.762	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc(F)cc1[O-]	ZINC000588524108	770931133	/nfs/dbraw/zinc/93/11/33/770931133.db2.gz	VIVHYMVMAALBOK-KTAJNNJTSA-N	-1	0	261.227	2.962	20	30		CFEDRM
Cc1nn(C)c2ncc(C=CC(=O)c3sccc3[O-])cc12	ZINC000588561732	773208756	/nfs/dbraw/zinc/20/87/56/773208756.db2.gz	DTUKBPAPOQSKMK-ARJAWSKDSA-N	-1	0	299.355	2.940	20	30		CFEDRM
C=C[C@H](CCCCCCC)OCCS(=O)(=O)[O-]	ZINC001224572310	775221247	/nfs/dbraw/zinc/22/12/47/775221247.db2.gz	RRQDNMDIVYDHIH-GFCCVEGCSA-N	-1	0	264.387	2.806	20	30		CFEDRM
CCCCCCC[C@H](C)OCC[P@@](=O)([O-])O	ZINC001224603828	775224408	/nfs/dbraw/zinc/22/44/08/775224408.db2.gz	BXHPXSGSCMNPIA-NSHDSACASA-N	-1	0	252.291	2.930	20	30		CFEDRM
CCCCCCCCCCOC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224581061	775224926	/nfs/dbraw/zinc/22/49/26/775224926.db2.gz	MPAHHMWEACKDJI-CYBMUJFWSA-N	-1	0	288.384	2.896	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C(/CC)c1ccc(C)cc1	ZINC000588592779	775243634	/nfs/dbraw/zinc/24/36/34/775243634.db2.gz	SPAPRTVUZXLTHN-KAMYIIQDSA-N	-1	0	287.359	2.888	20	30		CFEDRM
C#C[C@@H](CCCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224902781	775303021	/nfs/dbraw/zinc/30/30/21/775303021.db2.gz	LLQVVPNMINIZFX-AWEZNQCLSA-N	-1	0	296.388	2.684	20	30		CFEDRM
C#C[C@H](CCCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224902783	775303137	/nfs/dbraw/zinc/30/31/37/775303137.db2.gz	LLQVVPNMINIZFX-CQSZACIVSA-N	-1	0	296.388	2.684	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccncc1	ZINC000255628131	775342086	/nfs/dbraw/zinc/34/20/86/775342086.db2.gz	IKNNJGMFDLNEAG-IWQZZHSRSA-N	-1	0	270.244	2.592	20	30		CFEDRM
N#C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1	ZINC001225515787	775487447	/nfs/dbraw/zinc/48/74/47/775487447.db2.gz	VLPSIWCERHJLGD-AWEZNQCLSA-N	-1	0	289.312	2.577	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[nH]c(=O)ncc1C(F)(F)F	ZINC001225577024	775507970	/nfs/dbraw/zinc/50/79/70/775507970.db2.gz	QXKCUYKFSVAPGV-SSDOTTSWSA-N	-1	0	260.215	2.711	20	30		CFEDRM
C=C[C@@H](CCCCCC)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225731305	775575681	/nfs/dbraw/zinc/57/56/81/775575681.db2.gz	XVONYJCEDCLBJK-NSHDSACASA-N	-1	0	294.351	2.873	20	30		CFEDRM
C[C@@H](COc1[n-]c(=O)c(F)cc1C#N)Oc1ccccc1	ZINC001226008534	775666068	/nfs/dbraw/zinc/66/60/68/775666068.db2.gz	HYXBSJWGDZWCSY-JTQLQIEISA-N	-1	0	288.278	2.644	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1C#N	ZINC001226009453	775666593	/nfs/dbraw/zinc/66/65/93/775666593.db2.gz	XZPNRUJAFJQMIL-VIFPVBQESA-N	-1	0	283.262	2.810	20	30		CFEDRM
C[C@@H](COc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013618	775668938	/nfs/dbraw/zinc/66/89/38/775668938.db2.gz	OVJDZJMXUXGWDE-JTQLQIEISA-N	-1	0	288.278	2.644	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C1CC1	ZINC001226065235	775686852	/nfs/dbraw/zinc/68/68/52/775686852.db2.gz	SXTUQOLLNMPQDW-LURJTMIESA-N	-1	0	272.226	2.855	20	30		CFEDRM
Cc1c([C@H](C)Oc2cccc(/C=N/O)c2)cnn1C	ZINC001226110874	775701474	/nfs/dbraw/zinc/70/14/74/775701474.db2.gz	XZBFSMVCOWBORZ-AXLKIAQESA-N	-1	0	259.309	2.677	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2nc(C)cc(=O)[n-]2)C(C)(C)O1	ZINC001226159591	775720107	/nfs/dbraw/zinc/72/01/07/775720107.db2.gz	QZVVWOJJWRHSDL-XHDPSFHLSA-N	-1	0	278.352	2.772	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2C#N)n1	ZINC001226157548	775721244	/nfs/dbraw/zinc/72/12/44/775721244.db2.gz	AZFSEOCGUBUNDV-JTQLQIEISA-N	-1	0	255.277	2.502	20	30		CFEDRM
C[Si](C)(C)C#C[C@H](Oc1nncc(=O)[n-]1)c1ccccc1	ZINC001226167606	775723206	/nfs/dbraw/zinc/72/32/06/775723206.db2.gz	HPIJDKRRCUAXKB-ZDUSSCGKSA-N	-1	0	299.406	2.578	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ncccc2F)c1C#N	ZINC001226224074	775742611	/nfs/dbraw/zinc/74/26/11/775742611.db2.gz	ZVNKYGCJICHQJD-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1CNc2ccccc21	ZINC000328585057	775749974	/nfs/dbraw/zinc/74/99/74/775749974.db2.gz	WUMWCKFAPQMJGM-SUHUHFCYSA-N	-1	0	288.347	2.796	20	30		CFEDRM
C#C[C@@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)c1ccccc1	ZINC001226346864	775786694	/nfs/dbraw/zinc/78/66/94/775786694.db2.gz	MGDSZUSNPAALIN-SNVBAGLBSA-N	-1	0	294.232	2.954	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc(C)[n-]c(=O)c2F)C(C)(C)O1	ZINC001226422886	775815264	/nfs/dbraw/zinc/81/52/64/775815264.db2.gz	BSHFBEJBSTXFDU-BONVTDFDSA-N	-1	0	296.342	2.911	20	30		CFEDRM
C=C(C)C[C@@H](Oc1nc(C)[n-]c(=O)c1F)C(=C)C	ZINC001226424411	775817028	/nfs/dbraw/zinc/81/70/28/775817028.db2.gz	PEEQIAZTJAFSFQ-SNVBAGLBSA-N	-1	0	252.289	2.919	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556587	775872695	/nfs/dbraw/zinc/87/26/95/775872695.db2.gz	PRLOVABOSDSGFX-WPRPVWTQSA-N	-1	0	289.722	2.565	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]c(=O)nc3cnncc32)C1	ZINC001226689069	775920740	/nfs/dbraw/zinc/92/07/40/775920740.db2.gz	ZGMUVRBTPKGMLL-BXUZGUMPSA-N	-1	0	298.346	2.805	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226785770	775964183	/nfs/dbraw/zinc/96/41/83/775964183.db2.gz	OJXPIQOZLAACTH-QMMMGPOBSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C=CC[C@H](Oc1nc2ncnc-2c(S)[n-]1)C(C)C	ZINC001226787396	775965828	/nfs/dbraw/zinc/96/58/28/775965828.db2.gz	XSFQSOHUQXFADY-QMMMGPOBSA-N	-1	0	264.354	2.621	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788309	775966083	/nfs/dbraw/zinc/96/60/83/775966083.db2.gz	VUKJHPIAZFNSIC-SECBINFHSA-N	-1	0	299.168	2.680	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000398230467	776141017	/nfs/dbraw/zinc/14/10/17/776141017.db2.gz	SAOVBEQCJMUNPA-NSHDSACASA-N	-1	0	265.353	2.803	20	30		CFEDRM
Cc1ccc2nc(=O)[n-]c(O[C@@H]3CC[C@H](C#N)C3)c2c1	ZINC001227350707	776183567	/nfs/dbraw/zinc/18/35/67/776183567.db2.gz	MZDQZQFDDPOWTH-WDEREUQCSA-N	-1	0	269.304	2.715	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601592	776239517	/nfs/dbraw/zinc/23/95/17/776239517.db2.gz	CCPWAENXIHZQCP-RQJHMYQMSA-N	-1	0	273.119	2.670	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227606757	776241018	/nfs/dbraw/zinc/24/10/18/776241018.db2.gz	GEPKFRQXUHJYAR-SECBINFHSA-N	-1	0	277.349	2.753	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227690828	776258878	/nfs/dbraw/zinc/25/88/78/776258878.db2.gz	PMHHAWVYNIVPEO-JTQLQIEISA-N	-1	0	264.325	2.726	20	30		CFEDRM
C=CC[C@H](C=C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227743098	776276082	/nfs/dbraw/zinc/27/60/82/776276082.db2.gz	JDQSLYPGYCJIBH-JTQLQIEISA-N	-1	0	259.265	2.981	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1	ZINC000125572602	776356543	/nfs/dbraw/zinc/35/65/43/776356543.db2.gz	IHZIACPMDWAPJF-HNNXBMFYSA-N	-1	0	297.358	2.577	20	30		CFEDRM
Cc1cc(=O)oc2c1ccc(O)c2O[C@H](C)CS	ZINC001228621510	776542282	/nfs/dbraw/zinc/54/22/82/776542282.db2.gz	BHKAQPRIEGKXFZ-MRVPVSSYSA-N	-1	0	266.318	2.504	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1[N+](=O)[O-]	ZINC001228902455	776651717	/nfs/dbraw/zinc/65/17/17/776651717.db2.gz	RGMDJSHOCMKQQF-SECBINFHSA-N	-1	0	285.259	2.707	20	30		CFEDRM
CCC#C[C@H](C)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214994	776754032	/nfs/dbraw/zinc/75/40/32/776754032.db2.gz	JEIMUVLHGZDUFD-JTQLQIEISA-N	-1	0	288.299	2.688	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229243800	776764611	/nfs/dbraw/zinc/76/46/11/776764611.db2.gz	XDPCKXJRHMYGMR-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C/C(=N\O)c1ccccc1O[C@H]1CCn2ccnc21	ZINC001229741571	776884927	/nfs/dbraw/zinc/88/49/27/776884927.db2.gz	QEWRWNKTJWKEHH-RKPNYOAGSA-N	-1	0	257.293	2.605	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc(Cl)[n-]c(=O)n2)C(C)(C)O1	ZINC001230240171	776963115	/nfs/dbraw/zinc/96/31/15/776963115.db2.gz	HFQPTLLQVWPEPM-OQPBUACISA-N	-1	0	299.758	2.512	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc(Cl)[n-]c(=O)n2)C(C)(C)O1	ZINC001230240172	776963806	/nfs/dbraw/zinc/96/38/06/776963806.db2.gz	HFQPTLLQVWPEPM-SDBXPKJASA-N	-1	0	299.758	2.512	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074638	777132904	/nfs/dbraw/zinc/13/29/04/777132904.db2.gz	QIAGSEQQRMVQLZ-SECBINFHSA-N	-1	0	260.268	2.984	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074980	777134121	/nfs/dbraw/zinc/13/41/21/777134121.db2.gz	UUAJYQJWDUTDOV-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231350690	777199179	/nfs/dbraw/zinc/19/91/79/777199179.db2.gz	WNWJGOOFMLWLGT-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
N#Cc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])s1)C2	ZINC001231462838	777228483	/nfs/dbraw/zinc/22/84/83/777228483.db2.gz	QPGOGVZDSRACHA-UHFFFAOYSA-N	-1	0	298.367	2.876	20	30		CFEDRM
C=C(C)CNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000122769369	777520586	/nfs/dbraw/zinc/52/05/86/777520586.db2.gz	YRWYBHQNXOFBLA-UHFFFAOYSA-N	-1	0	263.322	2.686	20	30		CFEDRM
COC(=O)CC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000126779164	777541547	/nfs/dbraw/zinc/54/15/47/777541547.db2.gz	MOEFPKAUZFJZGQ-MKMNVTDBSA-N	-1	0	276.119	2.681	20	30		CFEDRM
N#CC1CN(Cc2ccc(Cl)c([O-])c2Cl)CCC1=O	ZINC001232631611	777625316	/nfs/dbraw/zinc/62/53/16/777625316.db2.gz	OHVUDXXAKVMFGC-SECBINFHSA-N	-1	0	299.157	2.614	20	30		CFEDRM
C[C@@H](C#N)N(C)Cc1cc(F)c([O-])c(Br)c1	ZINC001232637110	777626693	/nfs/dbraw/zinc/62/66/93/777626693.db2.gz	MXRHSLRPRWQYFP-ZETCQYMHSA-N	-1	0	287.132	2.638	20	30		CFEDRM
C=C(C)C(=O)OCCNc1ccc2oc(=S)[n-]c2c1	ZINC001168072363	777932579	/nfs/dbraw/zinc/93/25/79/777932579.db2.gz	ZGFPPOBTEFHPDL-UHFFFAOYSA-N	-1	0	278.333	2.648	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccs1	ZINC000127235779	777938337	/nfs/dbraw/zinc/93/83/37/777938337.db2.gz	ZDPOIGCHJGCGFG-LLVKDONJSA-N	-1	0	276.361	2.519	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1n[n-]c(=O)cc1Cl	ZINC001233591294	778002248	/nfs/dbraw/zinc/00/22/48/778002248.db2.gz	WBPNNBBARPMCJH-VIFPVBQESA-N	-1	0	266.728	2.819	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832651	778091082	/nfs/dbraw/zinc/09/10/82/778091082.db2.gz	DIANDJIYZWYTCM-LBPRGKRZSA-N	-1	0	272.300	2.925	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043538	778150913	/nfs/dbraw/zinc/15/09/13/778150913.db2.gz	DGEMIZXMTSAGJB-LLVKDONJSA-N	-1	0	286.331	2.920	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513446	778241198	/nfs/dbraw/zinc/24/11/98/778241198.db2.gz	KWFOAWPPVUYKJG-LBPRGKRZSA-N	-1	0	281.315	2.634	20	30		CFEDRM
C#C[C@@H](CC)Oc1nc[nH]c(=O)c1-c1ccccc1	ZINC001234690461	778289319	/nfs/dbraw/zinc/28/93/19/778289319.db2.gz	BTHFBRHCDGEKRK-LBPRGKRZSA-N	-1	0	254.289	2.640	20	30		CFEDRM
CC#C[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234818300	778301988	/nfs/dbraw/zinc/30/19/88/778301988.db2.gz	IQQDHGSTIDLWGV-GFCCVEGCSA-N	-1	0	272.300	2.988	20	30		CFEDRM
O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1ccccc1C=N[O-])C2	ZINC001234823341	778302986	/nfs/dbraw/zinc/30/29/86/778302986.db2.gz	STVYTLOCKAGQDT-OAHLLOKOSA-N	-1	0	298.298	2.949	20	30		CFEDRM
CN(CCC#N)Cc1cc(F)cc(Br)c1[O-]	ZINC001235297454	778448292	/nfs/dbraw/zinc/44/82/92/778448292.db2.gz	MKDJCGKWESRKEX-UHFFFAOYSA-N	-1	0	287.132	2.639	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)ccc1CC#N	ZINC001236057389	778671189	/nfs/dbraw/zinc/67/11/89/778671189.db2.gz	UZOMTQNQZLAQSK-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
CCc1nnc(-c2ccc(C(=O)[O-])cc2)c(C#N)c1CC	ZINC001236058570	778671705	/nfs/dbraw/zinc/67/17/05/778671705.db2.gz	PTMLHLFSDCXOKP-UHFFFAOYSA-N	-1	0	281.315	2.838	20	30		CFEDRM
Cc1nc(C#N)cnc1-c1ccc(C(=O)[O-])c(C)c1Cl	ZINC001236113070	778699374	/nfs/dbraw/zinc/69/93/74/778699374.db2.gz	CFFZDVVCZMNOLM-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2Cl)c(C#N)n1	ZINC001236116605	778699557	/nfs/dbraw/zinc/69/95/57/778699557.db2.gz	VRKHKSZRJITJOZ-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
N#Cc1nccc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236141638	778713818	/nfs/dbraw/zinc/71/38/18/778713818.db2.gz	AOGGYZDYINADGW-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
N#Cc1ccnnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236143199	778714253	/nfs/dbraw/zinc/71/42/53/778714253.db2.gz	KRNVCQDUCPAYJF-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
N#Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)ncn1	ZINC001236142552	778714325	/nfs/dbraw/zinc/71/43/25/778714325.db2.gz	GOGUAZLFOMSKNR-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
Cc1cc(C#N)nc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236142642	778714540	/nfs/dbraw/zinc/71/45/40/778714540.db2.gz	HBQFCIAPLLBQMI-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
COc1cc(C#N)nc(-c2c(F)ccc(C)c2[O-])c1	ZINC001236391496	778799782	/nfs/dbraw/zinc/79/97/82/778799782.db2.gz	JGXYFZMITLVECN-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
COc1csc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176394036	779121737	/nfs/dbraw/zinc/12/17/37/779121737.db2.gz	FIAJULWEDNYJAH-UHFFFAOYSA-N	-1	0	274.301	2.586	20	30		CFEDRM
CC(=O)c1csc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176398287	779122302	/nfs/dbraw/zinc/12/23/02/779122302.db2.gz	BNVMHWZXIQCFDP-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
N#CC1CCN(Cc2cc(Cl)nc(Cl)c2[O-])CC1	ZINC001237525189	779127401	/nfs/dbraw/zinc/12/74/01/779127401.db2.gz	KVVYROMRLFDXAD-UHFFFAOYSA-N	-1	0	286.162	2.830	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000176515640	779213407	/nfs/dbraw/zinc/21/34/07/779213407.db2.gz	LIEDZQRTDVTLCA-UHFFFAOYSA-N	-1	0	295.404	2.800	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000176512555	779213576	/nfs/dbraw/zinc/21/35/76/779213576.db2.gz	RBQWGGFVDMGYEG-UHFFFAOYSA-N	-1	0	287.768	2.501	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998954	779227127	/nfs/dbraw/zinc/22/71/27/779227127.db2.gz	YOVCPOIXIWHDKB-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238144567	779260705	/nfs/dbraw/zinc/26/07/05/779260705.db2.gz	VRJLVEHGDPZWMP-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
COc1cc(C#N)nc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235984110	779420133	/nfs/dbraw/zinc/42/01/33/779420133.db2.gz	JEHXSZYZPNLXKZ-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1	ZINC000130508821	779443496	/nfs/dbraw/zinc/44/34/96/779443496.db2.gz	PLABWQWPPBUTKV-AWEZNQCLSA-N	-1	0	286.375	2.831	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2)nc1CC#N	ZINC001236058513	779454898	/nfs/dbraw/zinc/45/48/98/779454898.db2.gz	MBMDCGBIYBVWTC-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239262746	779490736	/nfs/dbraw/zinc/49/07/36/779490736.db2.gz	WNUGAPKVFVXSQA-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])cc1F	ZINC001239275223	779498643	/nfs/dbraw/zinc/49/86/43/779498643.db2.gz	ORVZDZRVHINLJU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CC1(c2ccc(Nc3cc(=O)[nH]c(=S)[nH]3)cc2)CC1	ZINC001212247740	779519377	/nfs/dbraw/zinc/51/93/77/779519377.db2.gz	SSYVJSHTRFWAGM-UHFFFAOYSA-N	-1	0	284.344	2.770	20	30		CFEDRM
N#Cc1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1	ZINC001239337575	779528848	/nfs/dbraw/zinc/52/88/48/779528848.db2.gz	VJKKWWHOYAXANS-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)n1	ZINC001239346147	779530489	/nfs/dbraw/zinc/53/04/89/779530489.db2.gz	MPDFJSOELKAIJK-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cn1	ZINC001239353218	779532920	/nfs/dbraw/zinc/53/29/20/779532920.db2.gz	OEDXDGCHCGXBTF-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1c(F)cc(-c2cccc(S(=O)(=O)[O-])c2)cc1F	ZINC001239930326	779867287	/nfs/dbraw/zinc/86/72/87/779867287.db2.gz	AOGXNMLYXJPZKF-UHFFFAOYSA-N	-1	0	295.266	2.750	20	30		CFEDRM
Cc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)c(/C=N/O)c1	ZINC001240546964	780241497	/nfs/dbraw/zinc/24/14/97/780241497.db2.gz	JSHWKMTZSVSFSW-BMMZNIDASA-N	-1	0	282.299	2.963	20	30		CFEDRM
COc1ncc(-c2cccc(/C=C/C(=O)[O-])c2)cc1C#N	ZINC001240549158	780243635	/nfs/dbraw/zinc/24/36/35/780243635.db2.gz	ZMAFTNRMBTVZNX-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
C=CC[C@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001116905757	780257533	/nfs/dbraw/zinc/25/75/33/780257533.db2.gz	AABBWHIYOCZFJM-OLZOCXBDSA-N	-1	0	267.369	2.738	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C)c(C)cc1C#N	ZINC001240733352	780401267	/nfs/dbraw/zinc/40/12/67/780401267.db2.gz	CKCPUOFADKNLCZ-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C#N)c(CC#N)c1	ZINC001240734604	780402251	/nfs/dbraw/zinc/40/22/51/780402251.db2.gz	DMDOFEAMGXFGDA-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C#N)cc(C)n1	ZINC001240735488	780403232	/nfs/dbraw/zinc/40/32/32/780403232.db2.gz	ICHYHJUORSCFLS-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2ncccc2CC#N)ccc1C(=O)[O-]	ZINC001240741540	780406254	/nfs/dbraw/zinc/40/62/54/780406254.db2.gz	FMBBUNYBERHBQU-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2ccc(C#N)c(C)n2)ccc1C(=O)[O-]	ZINC001240743133	780408705	/nfs/dbraw/zinc/40/87/05/780408705.db2.gz	SJXLMPBKLJACGJ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])s1	ZINC001240846462	780472532	/nfs/dbraw/zinc/47/25/32/780472532.db2.gz	BIXOMOCHVCHOPL-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1ccc(C(=O)[O-])s1	ZINC001240846525	780472559	/nfs/dbraw/zinc/47/25/59/780472559.db2.gz	FWVBCQQTZYOWLP-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240975372	780564608	/nfs/dbraw/zinc/56/46/08/780564608.db2.gz	LDRWPBUCDUJFOM-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(CC(=O)[O-])cc1	ZINC001240975731	780564633	/nfs/dbraw/zinc/56/46/33/780564633.db2.gz	ZAEDOEGPAHXVLF-UHFFFAOYSA-N	-1	0	277.283	2.680	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc(F)cc1C#N	ZINC001240999090	780582737	/nfs/dbraw/zinc/58/27/37/780582737.db2.gz	HPZDVSZLLQLRPX-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(C)n1	ZINC001240999480	780583557	/nfs/dbraw/zinc/58/35/57/780583557.db2.gz	NGYUZGGKTSCXBV-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1cnc(-c2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001240999685	780583637	/nfs/dbraw/zinc/58/36/37/780583637.db2.gz	RVMCPKITQQQFDO-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(C(=O)[O-])ccc1C	ZINC001240999764	780583762	/nfs/dbraw/zinc/58/37/62/780583762.db2.gz	VBEPZSZUMVXYIZ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ncc(-c2cc(C(=O)[O-])ccc2C)cc1C#N	ZINC001241000895	780584627	/nfs/dbraw/zinc/58/46/27/780584627.db2.gz	OFNQDOONEULZKM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CCc1nnc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)c1CC	ZINC001241185400	780689754	/nfs/dbraw/zinc/68/97/54/780689754.db2.gz	NXEHXGLRLWEEFI-UHFFFAOYSA-N	-1	0	299.305	2.977	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241186631	780691200	/nfs/dbraw/zinc/69/12/00/780691200.db2.gz	RMRBILMHAJYGDG-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241346664	780799994	/nfs/dbraw/zinc/79/99/94/780799994.db2.gz	HVICWMCSQPBMCP-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
COc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345617	780800210	/nfs/dbraw/zinc/80/02/10/780800210.db2.gz	MYQXYANVRRNEHI-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
COc1ncc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1C#N	ZINC001241349036	780801637	/nfs/dbraw/zinc/80/16/37/780801637.db2.gz	IKRTXVPXKFVNGF-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC001241358932	780809266	/nfs/dbraw/zinc/80/92/66/780809266.db2.gz	ANKRNBXEFPYZLG-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3cccc(C(=O)[O-])c3)cnc12	ZINC001241360394	780811140	/nfs/dbraw/zinc/81/11/40/780811140.db2.gz	KOGWKNKOUACSLR-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000701865676	780847877	/nfs/dbraw/zinc/84/78/77/780847877.db2.gz	VDYIJHDFSSKYLI-UHFFFAOYSA-N	-1	0	265.353	2.660	20	30		CFEDRM
CC(C)(C#N)c1ccc(-c2cncc(C(=O)[O-])c2)cn1	ZINC001241802453	781133231	/nfs/dbraw/zinc/13/32/31/781133231.db2.gz	GQZIJDILEVRXJH-UHFFFAOYSA-N	-1	0	267.288	2.643	20	30		CFEDRM
N#Cc1c(F)c(F)c(-c2cncc(C(=O)[O-])c2)c(F)c1F	ZINC001241802128	781133309	/nfs/dbraw/zinc/13/33/09/781133309.db2.gz	CTMIELALECKASP-UHFFFAOYSA-N	-1	0	296.179	2.875	20	30		CFEDRM
N#Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001241833785	781148604	/nfs/dbraw/zinc/14/86/04/781148604.db2.gz	GWBRSFGYRXNVBQ-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
COc1ccc(-c2ccccc2OCC#N)cc1C(=O)[O-]	ZINC001241875586	781161748	/nfs/dbraw/zinc/16/17/48/781161748.db2.gz	VRTRISLTUPMJQQ-UHFFFAOYSA-N	-1	0	283.283	2.963	20	30		CFEDRM
COc1ccc(-c2cncc(CC#N)c2)cc1C(=O)[O-]	ZINC001241874746	781162152	/nfs/dbraw/zinc/16/21/52/781162152.db2.gz	OSSKLLSRRAUHCJ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#Cc1cncnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242132106	781295771	/nfs/dbraw/zinc/29/57/71/781295771.db2.gz	VOKFBRQGAFFEJI-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
N#Cc1ccnnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242131789	781295941	/nfs/dbraw/zinc/29/59/41/781295941.db2.gz	PIZOZBFRVCYCLY-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cccc(C#N)n1	ZINC001242204162	781324363	/nfs/dbraw/zinc/32/43/63/781324363.db2.gz	GWOOMBNKDPDTDZ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242210194	781328271	/nfs/dbraw/zinc/32/82/71/781328271.db2.gz	WJVJAEUBXHWNMH-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(CC#N)nc1	ZINC001242211096	781328276	/nfs/dbraw/zinc/32/82/76/781328276.db2.gz	RLRVSLOBTJTSCA-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#CC1(c2ccnc(-c3cccc(CC(=O)[O-])c3)c2)CC1	ZINC001242262995	781347768	/nfs/dbraw/zinc/34/77/68/781347768.db2.gz	PXSATCDNNKNDQN-UHFFFAOYSA-N	-1	0	278.311	2.931	20	30		CFEDRM
N#CCc1ccc(-c2cccc(CC(=O)[O-])c2)cc1C#N	ZINC001242262901	781348034	/nfs/dbraw/zinc/34/80/34/781348034.db2.gz	WOZFRWKJCVQVFR-UHFFFAOYSA-N	-1	0	276.295	2.918	20	30		CFEDRM
C=CCOc1ccc(-c2cccc(CC(=O)[O-])c2)nc1C#N	ZINC001242262628	781348175	/nfs/dbraw/zinc/34/81/75/781348175.db2.gz	MEDVYILHJLNKHY-UHFFFAOYSA-N	-1	0	294.310	2.812	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(CC(=O)[O-])c1	ZINC001242263298	781348878	/nfs/dbraw/zinc/34/88/78/781348878.db2.gz	BMCXFDOQVRIGMT-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
O=C([O-])Cc1cccc(-c2cc(/C=N/O)ccc2F)c1	ZINC001242264689	781349360	/nfs/dbraw/zinc/34/93/60/781349360.db2.gz	ZNOGEHXDRAFTCO-RQZCQDPDSA-N	-1	0	273.263	2.928	20	30		CFEDRM
O=C([O-])Cc1cccc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001242264900	781349628	/nfs/dbraw/zinc/34/96/28/781349628.db2.gz	KMXCVFLTLRVUEW-RQZCQDPDSA-N	-1	0	273.263	2.928	20	30		CFEDRM
N#Cc1ccc2nccc(-c3ccc(C(=O)[O-])nc3)c2c1	ZINC001242335447	781406472	/nfs/dbraw/zinc/40/64/72/781406472.db2.gz	FMOVCINRZUIYDT-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COC(=O)c1cc(-c2cccc(F)c2[O-])ccc1C#N	ZINC001242352656	781426994	/nfs/dbraw/zinc/42/69/94/781426994.db2.gz	MDUWVZYLDRNNPL-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1cccc(Cl)c1[O-]	ZINC001242365627	781438941	/nfs/dbraw/zinc/43/89/41/781438941.db2.gz	PXBORAFOAZQTBH-UHFFFAOYSA-N	-1	0	270.679	2.554	20	30		CFEDRM
Cc1cnc(-c2cccc(C(=O)[O-])c2F)c(/C=N/O)c1	ZINC001242377011	781445240	/nfs/dbraw/zinc/44/52/40/781445240.db2.gz	UVOGCIMKCRBDBM-REZTVBANSA-N	-1	0	274.251	2.702	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nccc(C#N)c1C	ZINC001242387128	781456740	/nfs/dbraw/zinc/45/67/40/781456740.db2.gz	IWMQZRYHSWEPFG-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccnc(CC#N)c1	ZINC001242392355	781461694	/nfs/dbraw/zinc/46/16/94/781461694.db2.gz	SQMYYEGVNJIFPN-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
Cc1cc(C#N)ccc1-c1cnc(C(=O)[O-])c(C)c1	ZINC001242473993	781528848	/nfs/dbraw/zinc/52/88/48/781528848.db2.gz	GVEZKQDGBYVNGX-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccccc2S(=O)(=O)[O-])c1	ZINC001242478331	781532333	/nfs/dbraw/zinc/53/23/33/781532333.db2.gz	YPQMVQJNGQYJGL-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562470	781600100	/nfs/dbraw/zinc/60/01/00/781600100.db2.gz	APSNYUFLTSFVJQ-UHFFFAOYSA-N	-1	0	267.288	2.594	20	30		CFEDRM
C=CCn1ccc2c1ncnc2-c1ccccc1C(=O)[O-]	ZINC001242877182	781816208	/nfs/dbraw/zinc/81/62/08/781816208.db2.gz	VPSLWAOKVQKJFM-UHFFFAOYSA-N	-1	0	279.299	2.983	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C#N)cc(C)n1	ZINC001242919413	781841144	/nfs/dbraw/zinc/84/11/44/781841144.db2.gz	BZKRPNBRZSMXGF-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ncc(C)cc1C#N	ZINC001242920168	781841950	/nfs/dbraw/zinc/84/19/50/781841950.db2.gz	KAYUYINESIXCAC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001242920717	781842673	/nfs/dbraw/zinc/84/26/73/781842673.db2.gz	KOYIXAYCSOFHGA-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)nc1	ZINC001242922322	781843495	/nfs/dbraw/zinc/84/34/95/781843495.db2.gz	HKSJTBSUIIOQFE-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C)nc1C#N	ZINC001242922324	781843568	/nfs/dbraw/zinc/84/35/68/781843568.db2.gz	HNOZETZGRLHWEA-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc2cc[nH]c2nc1C#N	ZINC001242923310	781844575	/nfs/dbraw/zinc/84/45/75/781844575.db2.gz	IABKKANNXYTZLL-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n1	ZINC000594541414	349444442	/nfs/dbraw/zinc/44/44/42/349444442.db2.gz	UIKXDSOUAJJKSC-WCFLWFBJSA-N	-1	0	287.363	2.809	20	30		CFEDRM
C[C@H](C#N)Cn1[n-]c(-c2c(F)cccc2Cl)cc1=O	ZINC000594660179	349470180	/nfs/dbraw/zinc/47/01/80/349470180.db2.gz	LNWJFRJNTNCJIU-MRVPVSSYSA-N	-1	0	279.702	2.575	20	30		CFEDRM
C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CCCCC1	ZINC000595376363	349612154	/nfs/dbraw/zinc/61/21/54/349612154.db2.gz	JVOJMHQFOXYUMF-NSHDSACASA-N	-1	0	296.392	2.646	20	30		CFEDRM
N#Cc1c(C(F)F)cccc1N1CCC(C(=O)[O-])CC1	ZINC000595965711	349772951	/nfs/dbraw/zinc/77/29/51/349772951.db2.gz	IMOKDAPAJOJQES-UHFFFAOYSA-N	-1	0	280.274	2.797	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1nc(C#N)c(Cl)s1)C(=O)[O-]	ZINC000595965530	349773169	/nfs/dbraw/zinc/77/31/69/349773169.db2.gz	DYNLNHZELJYTJK-FSPLSTOPSA-N	-1	0	273.745	2.579	20	30		CFEDRM
N#Cc1cnc(NC[C@@H](C(=O)[O-])C2CCC2)c(Cl)c1	ZINC000595978511	349773823	/nfs/dbraw/zinc/77/38/23/349773823.db2.gz	WUMQRLDGRNXQAC-SNVBAGLBSA-N	-1	0	279.727	2.519	20	30		CFEDRM
CC(C)(NC(=O)CCCCC(=O)[O-])c1cccc(C#N)c1	ZINC000595999635	349774644	/nfs/dbraw/zinc/77/46/44/349774644.db2.gz	DATQZIBIOARTDF-UHFFFAOYSA-N	-1	0	288.347	2.555	20	30		CFEDRM
CO[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C	ZINC000596144430	349807069	/nfs/dbraw/zinc/80/70/69/349807069.db2.gz	FXHCISJXGGYWOG-QMMMGPOBSA-N	-1	0	273.789	2.563	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2cscc2s1	ZINC000528922157	383677295	/nfs/dbraw/zinc/67/72/95/383677295.db2.gz	YUSXEKNIDPBMAY-SECBINFHSA-N	-1	0	292.385	2.810	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231263534	781923924	/nfs/dbraw/zinc/92/39/24/781923924.db2.gz	KRBVDTOJNKXAGQ-SNVBAGLBSA-N	-1	0	264.281	2.575	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C(C)(C)C)s1	ZINC000596413086	349894430	/nfs/dbraw/zinc/89/44/30/349894430.db2.gz	DIVQTBJBKQNTFH-UHFFFAOYSA-N	-1	0	271.455	2.979	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C	ZINC000047365332	346449635	/nfs/dbraw/zinc/44/96/35/346449635.db2.gz	MQLJXDNUVAVPMZ-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000066516899	346765795	/nfs/dbraw/zinc/76/57/95/346765795.db2.gz	HNAFFPSRSBGKRT-NSHDSACASA-N	-1	0	294.314	2.993	20	30		CFEDRM
CC(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000087506030	347496168	/nfs/dbraw/zinc/49/61/68/347496168.db2.gz	CLJBWJUNXVWFMV-CYBMUJFWSA-N	-1	0	287.363	2.601	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C=CC1CCCCC1	ZINC000089285946	347515364	/nfs/dbraw/zinc/51/53/64/347515364.db2.gz	STXNTLDGYLBCMU-CMDGGOBGSA-N	-1	0	257.355	2.595	20	30		CFEDRM
N#Cc1cc(F)c(NCC2(C(=O)[O-])CCC2)c(F)c1	ZINC000138549269	347916754	/nfs/dbraw/zinc/91/67/54/347916754.db2.gz	POSGMBNPXDEVMA-UHFFFAOYSA-N	-1	0	266.247	2.503	20	30		CFEDRM
CCOCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000153487635	347973602	/nfs/dbraw/zinc/97/36/02/347973602.db2.gz	KGSHVEWPDUWQLA-UHFFFAOYSA-N	-1	0	279.384	2.769	20	30		CFEDRM
C=C1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1	ZINC000273335702	192117282	/nfs/dbraw/zinc/11/72/82/192117282.db2.gz	UKGFEIIJZHGPPD-UHFFFAOYSA-N	-1	0	271.238	2.602	20	30		CFEDRM
N#CC1(CC(=O)Nc2cccc(Cl)c2[O-])CC1	ZINC000590317953	348893344	/nfs/dbraw/zinc/89/33/44/348893344.db2.gz	KMOJMOKCXBEIAL-UHFFFAOYSA-N	-1	0	250.685	2.678	20	30		CFEDRM
N#Cc1cccnc1[N-]S(=O)(=O)CCC1CCCCC1	ZINC000590741175	348940396	/nfs/dbraw/zinc/94/03/96/348940396.db2.gz	VXVGIJYGGWNCQA-UHFFFAOYSA-N	-1	0	293.392	2.665	20	30		CFEDRM
N#Cc1[n-]c(=NCC2(O)CCCCCC2)sc1Cl	ZINC000590583692	348911572	/nfs/dbraw/zinc/91/15/72/348911572.db2.gz	DESSJCDCLPRSMX-UHFFFAOYSA-N	-1	0	285.800	2.587	20	30		CFEDRM
N#Cc1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000591531439	349028933	/nfs/dbraw/zinc/02/89/33/349028933.db2.gz	UNRQCDWTKYSJLP-UHFFFAOYSA-N	-1	0	272.304	2.532	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)c(F)c1	ZINC000591530927	349029177	/nfs/dbraw/zinc/02/91/77/349029177.db2.gz	GWQCBIWWZBAHDB-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
CC[C@H](CC1CCCC1)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592648046	349145717	/nfs/dbraw/zinc/14/57/17/349145717.db2.gz	YOKPUJIZKCWLPJ-CYBMUJFWSA-N	-1	0	288.395	2.567	20	30		CFEDRM
N#CC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCC1	ZINC000593780350	349324968	/nfs/dbraw/zinc/32/49/68/349324968.db2.gz	XQLJVTIBYZVAKO-UHFFFAOYSA-N	-1	0	278.739	2.859	20	30		CFEDRM
N#CCCCCC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000594457743	349426060	/nfs/dbraw/zinc/42/60/60/349426060.db2.gz	OBRGWDGDIPOWEL-UHFFFAOYSA-N	-1	0	274.320	2.726	20	30		CFEDRM
C=CCCSCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000597968984	350165074	/nfs/dbraw/zinc/16/50/74/350165074.db2.gz	TUGIAHMOPBKRFV-UHFFFAOYSA-N	-1	0	287.331	2.710	20	30		CFEDRM
CC(C)Cc1nc(=NC(=O)CCCCCC#N)s[n-]1	ZINC000598192194	350211972	/nfs/dbraw/zinc/21/19/72/350211972.db2.gz	VKOLNQVVKQAIGN-UHFFFAOYSA-N	-1	0	280.397	2.571	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000598421992	350267523	/nfs/dbraw/zinc/26/75/23/350267523.db2.gz	QRTPVQQIPQKPMN-PHIMTYICSA-N	-1	0	288.303	2.624	20	30		CFEDRM
CCN=c1[n-]nc(SCc2ccc(C)c(C#N)c2)s1	ZINC000600516112	350561753	/nfs/dbraw/zinc/56/17/53/350561753.db2.gz	BNKOHGZXIKALRJ-UHFFFAOYSA-N	-1	0	290.417	2.864	20	30		CFEDRM
C[C@@H]1C[C@@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000600672563	350594229	/nfs/dbraw/zinc/59/42/29/350594229.db2.gz	OSMLXXAOVUYTDZ-GHMZBOCLSA-N	-1	0	261.369	2.998	20	30		CFEDRM
C[C@H]1C[C@H]1c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000601064126	350656660	/nfs/dbraw/zinc/65/66/60/350656660.db2.gz	MRQVNMIGJJOHHW-SMDDNHRTSA-N	-1	0	294.358	2.782	20	30		CFEDRM
N#C[C@H](CCc1ccccc1)Sc1n[n-]c(=N)s1	ZINC000601071243	350658101	/nfs/dbraw/zinc/65/81/01/350658101.db2.gz	YQSGRCBRNZFQIM-JTQLQIEISA-N	-1	0	276.390	2.568	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1CCC#N	ZINC000601934017	350806885	/nfs/dbraw/zinc/80/68/85/350806885.db2.gz	IMMJYPYZBMXBCU-QMMMGPOBSA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601941282	350811196	/nfs/dbraw/zinc/81/11/96/350811196.db2.gz	WOYIRVXNZJEHTK-ZDUSSCGKSA-N	-1	0	275.739	2.978	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1cc(F)cc(C#N)c1	ZINC000601988974	350824301	/nfs/dbraw/zinc/82/43/01/350824301.db2.gz	BPVVMCHNLRHUPT-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1[n-]n(-c2ccccc2Cl)c(=O)c1CCC#N	ZINC000603923926	351192028	/nfs/dbraw/zinc/19/20/28/351192028.db2.gz	RHISLBKMZKXZJW-SNVBAGLBSA-N	-1	0	261.712	2.982	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C(C)(C)CC)o1	ZINC000603408411	351158492	/nfs/dbraw/zinc/15/84/92/351158492.db2.gz	NVNPNOJSIVHUQA-UHFFFAOYSA-N	-1	0	269.414	2.900	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000612367233	351809026	/nfs/dbraw/zinc/80/90/26/351809026.db2.gz	NHVFCBWDIRXMJE-CQSZACIVSA-N	-1	0	278.739	2.811	20	30		CFEDRM
CC[C@H](C)CCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000612390631	351813226	/nfs/dbraw/zinc/81/32/26/351813226.db2.gz	HEACOBZNXGVBFK-JTQLQIEISA-N	-1	0	273.340	2.698	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1C	ZINC000614467881	352097193	/nfs/dbraw/zinc/09/71/93/352097193.db2.gz	CSTLLSMLLKBNCQ-ZDUSSCGKSA-N	-1	0	290.326	2.767	20	30		CFEDRM
C=C[C@@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1O	ZINC000614488486	352099548	/nfs/dbraw/zinc/09/95/48/352099548.db2.gz	MNDLXDVFIIVCOP-OAHLLOKOSA-N	-1	0	263.337	2.565	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000573880086	334974027	/nfs/dbraw/zinc/97/40/27/334974027.db2.gz	ZJDCPMRTKWKOIZ-JQWIXIFHSA-N	-1	0	296.392	2.918	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@H]2N=c1[n-]nc(C2CC2)s1	ZINC000618693864	352862643	/nfs/dbraw/zinc/86/26/43/352862643.db2.gz	RKDIJVPQXHNGGT-CYBMUJFWSA-N	-1	0	282.372	2.808	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@@H]2N=c1[n-]nc(C2CC2)s1	ZINC000618693865	352862814	/nfs/dbraw/zinc/86/28/14/352862814.db2.gz	RKDIJVPQXHNGGT-ZDUSSCGKSA-N	-1	0	282.372	2.808	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(F)cc1[O-]	ZINC000618892924	352907017	/nfs/dbraw/zinc/90/70/17/352907017.db2.gz	SMNBFHUQEYIFLJ-OAHLLOKOSA-N	-1	0	296.301	2.820	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000156044471	188240099	/nfs/dbraw/zinc/24/00/99/188240099.db2.gz	DXCFDNPZPUEXFW-UHFFFAOYSA-N	-1	0	274.345	2.650	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ocnc2C(F)F)nc(C)n1	ZINC000626292763	354246135	/nfs/dbraw/zinc/24/61/35/354246135.db2.gz	BPDQPOOUBFEFHF-MRVPVSSYSA-N	-1	0	292.245	2.509	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000630229550	355030319	/nfs/dbraw/zinc/03/03/19/355030319.db2.gz	RORPDDPBYCQQMC-UHFFFAOYSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000630266464	355036147	/nfs/dbraw/zinc/03/61/47/355036147.db2.gz	DZOFPKKMIMMZCL-TZMCWYRMSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC1(CNC(=O)c2cncc(C(=O)[O-])c2)CCCC1	ZINC000630292096	355041122	/nfs/dbraw/zinc/04/11/22/355041122.db2.gz	ISLJTIANEOEWDV-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=CCC1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCCC1	ZINC000630292527	355041178	/nfs/dbraw/zinc/04/11/78/355041178.db2.gz	RCBYJOHKJIFCRO-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-]	ZINC000630318816	355049371	/nfs/dbraw/zinc/04/93/71/355049371.db2.gz	MEHRUHXQDCLBAV-VIFPVBQESA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1ccc(CC)cc1)C(=O)[O-]	ZINC000630318971	355049378	/nfs/dbraw/zinc/04/93/78/355049378.db2.gz	PINSOAHXUUTYAW-HNNXBMFYSA-N	-1	0	289.375	2.717	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000630317857	355049570	/nfs/dbraw/zinc/04/95/70/355049570.db2.gz	BRLSDANQCADRLD-FRRDWIJNSA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000630319468	355050016	/nfs/dbraw/zinc/05/00/16/355050016.db2.gz	BDOXKAPOGIELMA-LLVKDONJSA-N	-1	0	279.336	2.554	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000630319131	355050097	/nfs/dbraw/zinc/05/00/97/355050097.db2.gz	SQIBGMUXPYMWHA-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC000630319894	355050119	/nfs/dbraw/zinc/05/01/19/355050119.db2.gz	KHCCHZFVEHMRCX-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000630321077	355050865	/nfs/dbraw/zinc/05/08/65/355050865.db2.gz	FGBVGKVVLXXHSM-RUXDESIVSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000630321774	355050910	/nfs/dbraw/zinc/05/09/10/355050910.db2.gz	NAJTUHXXKWBCGI-CQSZACIVSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C(=O)[O-]	ZINC000630322482	355051448	/nfs/dbraw/zinc/05/14/48/355051448.db2.gz	UAVXLNSXCNYVOZ-ZNMIVQPWSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000630326449	355052496	/nfs/dbraw/zinc/05/24/96/355052496.db2.gz	QGMHKQWYDKFQSV-NQHOJNORSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000630327296	355053060	/nfs/dbraw/zinc/05/30/60/355053060.db2.gz	ZAKFFSUONXLRSW-GXTWGEPZSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000630326732	355053127	/nfs/dbraw/zinc/05/31/27/355053127.db2.gz	SIIBBOJEVPZWNB-WFASDCNBSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000630551758	355110643	/nfs/dbraw/zinc/11/06/43/355110643.db2.gz	ZMFVQCMAPHXXKX-JTQLQIEISA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc([C@H]2C[C@H]2C)o1	ZINC000630960384	355231151	/nfs/dbraw/zinc/23/11/51/355231151.db2.gz	OUNMIIQZBGJXHS-YPMHNXCESA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CCCC(C)(C)CN=c1[n-]c(C2CCOCC2)no1	ZINC000631449902	355441271	/nfs/dbraw/zinc/44/12/71/355441271.db2.gz	XVZGOMYKPACSFB-UHFFFAOYSA-N	-1	0	279.384	2.790	20	30		CFEDRM
Cc1nc(C(=O)Nc2scc(C)c2C#N)c(C)o1	ZINC000297638348	200248865	/nfs/dbraw/zinc/24/88/65/200248865.db2.gz	DFRNKCWPWYMZQI-UHFFFAOYSA-N	-1	0	261.306	2.785	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)NCCCCC(=O)[O-]	ZINC000666557772	541109946	/nfs/dbraw/zinc/10/99/46/541109946.db2.gz	WAICEBOCLLMFPN-UHFFFAOYSA-N	-1	0	290.363	2.639	20	30		CFEDRM
C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1	ZINC000442953130	241024015	/nfs/dbraw/zinc/02/40/15/241024015.db2.gz	WRLOOMUAOWLVPB-NSHDSACASA-N	-1	0	298.317	2.936	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cocn2)n1	ZINC000673815519	541515972	/nfs/dbraw/zinc/51/59/72/541515972.db2.gz	WHPRBXMJHRXPGL-MRVPVSSYSA-N	-1	0	261.306	2.745	20	30		CFEDRM
CC(C)(C)n1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cn1	ZINC000450281836	242338872	/nfs/dbraw/zinc/33/88/72/242338872.db2.gz	FENWRVUTRRWNOL-UHFFFAOYSA-N	-1	0	286.295	2.557	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000041495815	372843383	/nfs/dbraw/zinc/84/33/83/372843383.db2.gz	OIPNOJUPYLTDGS-JTQLQIEISA-N	-1	0	265.272	2.954	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1	ZINC000046927567	373069258	/nfs/dbraw/zinc/06/92/58/373069258.db2.gz	VMBPLZYTPXWWRI-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000046928654	373069670	/nfs/dbraw/zinc/06/96/70/373069670.db2.gz	MWMBOEIIBSPXPU-UHFFFAOYSA-N	-1	0	267.759	2.703	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)C)c1	ZINC000046929178	373070398	/nfs/dbraw/zinc/07/03/98/373070398.db2.gz	KQJNPDSPHONHRQ-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1CCCC1	ZINC000046927921	373070611	/nfs/dbraw/zinc/07/06/11/373070611.db2.gz	KFRSLEJAXQVLFO-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1	ZINC000048519473	373193927	/nfs/dbraw/zinc/19/39/27/373193927.db2.gz	HCGZDVCALRMFND-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)C1CCCC1	ZINC000048519107	373193989	/nfs/dbraw/zinc/19/39/89/373193989.db2.gz	WDCVUDOSFNKCRV-UHFFFAOYSA-N	-1	0	271.313	2.661	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2	ZINC000049418083	373295493	/nfs/dbraw/zinc/29/54/93/373295493.db2.gz	DFEIEZIYXBEHKJ-UHFFFAOYSA-N	-1	0	281.377	2.608	20	30		CFEDRM
O=C(COC1CCCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513747	373306921	/nfs/dbraw/zinc/30/69/21/373306921.db2.gz	MEWAADKOZFZPRQ-UHFFFAOYSA-N	-1	0	289.397	2.565	20	30		CFEDRM
C=CCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000054399880	373524350	/nfs/dbraw/zinc/52/43/50/373524350.db2.gz	VXWLWRDMGQJTLV-CYBMUJFWSA-N	-1	0	261.321	2.675	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000061834719	373728159	/nfs/dbraw/zinc/72/81/59/373728159.db2.gz	YLCUPLCMVCNLTA-QMMMGPOBSA-N	-1	0	280.711	2.651	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(Cl)cc2C#N)C1	ZINC000062933052	373775089	/nfs/dbraw/zinc/77/50/89/373775089.db2.gz	YTNROFPFKQIJIG-CYBMUJFWSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1ccccn1	ZINC000073971122	374398452	/nfs/dbraw/zinc/39/84/52/374398452.db2.gz	HGPYATABFRHPLQ-ZDUSSCGKSA-N	-1	0	288.310	2.962	20	30		CFEDRM
CCOc1ncccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000093242852	375199710	/nfs/dbraw/zinc/19/97/10/375199710.db2.gz	WTBDJVPAINDRFJ-LLVKDONJSA-N	-1	0	287.344	2.735	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@@H]1C(=O)[O-]	ZINC000262100666	190048301	/nfs/dbraw/zinc/04/83/01/190048301.db2.gz	MBERUMRLMQIYGV-KBPBESRZSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000262041826	190047732	/nfs/dbraw/zinc/04/77/32/190047732.db2.gz	DBSHUAHDMPONPP-UHFFFAOYSA-N	-1	0	267.369	2.905	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000262150347	190049767	/nfs/dbraw/zinc/04/97/67/190049767.db2.gz	MXLRNCYNDYVMMK-INIZCTEOSA-N	-1	0	299.370	2.965	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000262531145	190057004	/nfs/dbraw/zinc/05/70/04/190057004.db2.gz	IJGDKUZMYLIFNK-XHSDSOJGSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=CCC1(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCC1	ZINC000263223545	190066825	/nfs/dbraw/zinc/06/68/25/190066825.db2.gz	ZLEYHGUYYCTZLL-CQSZACIVSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCCCCCCC(=O)[O-]	ZINC000263295545	190067738	/nfs/dbraw/zinc/06/77/38/190067738.db2.gz	SIBPIKJCZLGBHB-GFCCVEGCSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000262690968	190061017	/nfs/dbraw/zinc/06/10/17/190061017.db2.gz	DVVNUYCBKHUSOO-YUELXQCFSA-N	-1	0	287.359	2.716	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000135059176	378079610	/nfs/dbraw/zinc/07/96/10/378079610.db2.gz	AADPIYVRADYGCW-UHFFFAOYSA-N	-1	0	292.310	2.917	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCC[C@H](C)C2)s[n-]1	ZINC000330492254	378569954	/nfs/dbraw/zinc/56/99/54/378569954.db2.gz	QHDIBGGHSMSDEA-VHSXEESVSA-N	-1	0	282.413	2.817	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@H](C)[C@@H](C)CC)s1	ZINC000330617063	378591716	/nfs/dbraw/zinc/59/17/16/378591716.db2.gz	VYJJJAWNQUYGQV-JGVFFNPUSA-N	-1	0	288.442	2.833	20	30		CFEDRM
CCC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOCC1	ZINC000331054598	378622371	/nfs/dbraw/zinc/62/23/71/378622371.db2.gz	OFGPQTZPGMXOKY-UHFFFAOYSA-N	-1	0	294.307	2.564	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C#N)n1	ZINC000158622882	378672099	/nfs/dbraw/zinc/67/20/99/378672099.db2.gz	MYKUXRTYJWUCGW-VIFPVBQESA-N	-1	0	273.342	2.875	20	30		CFEDRM
N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1ccccn1	ZINC000165463626	379040353	/nfs/dbraw/zinc/04/03/53/379040353.db2.gz	YXTMCGWDOUXLBY-ZWNOBZJWSA-N	-1	0	299.355	2.880	20	30		CFEDRM
CCc1cc(C#N)c(NC(=O)c2cncs2)s1	ZINC000334466293	379349692	/nfs/dbraw/zinc/34/96/92/379349692.db2.gz	VKVFTNWVQWSQIE-UHFFFAOYSA-N	-1	0	263.347	2.891	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000172111047	379496093	/nfs/dbraw/zinc/49/60/93/379496093.db2.gz	XXDKDOYAWDWERS-SECBINFHSA-N	-1	0	269.728	2.965	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1	ZINC000266814011	190282348	/nfs/dbraw/zinc/28/23/48/190282348.db2.gz	ICIWOIUFWOIJAK-UHFFFAOYSA-N	-1	0	274.345	2.909	20	30		CFEDRM
Cn1cc(C#N)cc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000176145443	380185853	/nfs/dbraw/zinc/18/58/53/380185853.db2.gz	IMYIPIHAYKYNSD-UHFFFAOYSA-N	-1	0	275.695	2.508	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1ccccc1O	ZINC000179542007	380553970	/nfs/dbraw/zinc/55/39/70/380553970.db2.gz	GDQGVTVAHOFOKK-UHFFFAOYSA-N	-1	0	260.337	2.794	20	30		CFEDRM
CC(C)(CCNc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000336788111	380634519	/nfs/dbraw/zinc/63/45/19/380634519.db2.gz	NYCGQIVKQUJDKU-UHFFFAOYSA-N	-1	0	250.273	2.610	20	30		CFEDRM
Cc1nc(NCCC(C)(C)C(=O)[O-])c(Cl)cc1C#N	ZINC000336816742	380679046	/nfs/dbraw/zinc/67/90/46/380679046.db2.gz	NFNXPMGYKZYPDV-UHFFFAOYSA-N	-1	0	281.743	2.828	20	30		CFEDRM
C=CCOc1ccccc1C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000341201578	380828649	/nfs/dbraw/zinc/82/86/49/380828649.db2.gz	XBFWWRNRWMEGQS-UHFFFAOYSA-N	-1	0	295.342	2.593	20	30		CFEDRM
CC(C)OCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000182166752	381007500	/nfs/dbraw/zinc/00/75/00/381007500.db2.gz	MKSCTJSLXLGXPY-VGOFMYFVSA-N	-1	0	286.715	2.798	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c(C)o1	ZINC000183145620	381222932	/nfs/dbraw/zinc/22/29/32/381222932.db2.gz	ZRLNLXCDDBKLHY-UHFFFAOYSA-N	-1	0	290.344	2.877	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](SCc1ccccc1)C(C)C	ZINC000291093117	381664664	/nfs/dbraw/zinc/66/46/64/381664664.db2.gz	PTFYWRLDQFFIPB-AWEZNQCLSA-N	-1	0	277.389	2.625	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000291166966	381693492	/nfs/dbraw/zinc/69/34/92/381693492.db2.gz	DETLATAEEPBNSU-QMMMGPOBSA-N	-1	0	272.131	2.778	20	30		CFEDRM
Cc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361524741	381839463	/nfs/dbraw/zinc/83/94/63/381839463.db2.gz	LUSURCUMSVPUJT-LBPRGKRZSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1ccncc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361529141	381839636	/nfs/dbraw/zinc/83/96/36/381839636.db2.gz	DAHHUWRKLCPKPM-LBPRGKRZSA-N	-1	0	288.310	2.823	20	30		CFEDRM
N#CC(=C([O-])c1cc2[nH]ccc2s1)c1ccncn1	ZINC000361792685	381863846	/nfs/dbraw/zinc/86/38/46/381863846.db2.gz	PLLSABFICFBUIM-QMMMGPOBSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000351529335	382042853	/nfs/dbraw/zinc/04/28/53/382042853.db2.gz	JWAGBILXDRANHU-UHFFFAOYSA-N	-1	0	299.374	2.788	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)NCCCC(=O)[O-]	ZINC000417790111	382069263	/nfs/dbraw/zinc/06/92/63/382069263.db2.gz	HXTJJNKKQFRDQU-UHFFFAOYSA-N	-1	0	276.336	2.792	20	30		CFEDRM
C=CCSCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000187396296	382172996	/nfs/dbraw/zinc/17/29/96/382172996.db2.gz	TYQHQZOEXCGGDE-UHFFFAOYSA-N	-1	0	289.759	2.834	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2cccc(C)n2)s1	ZINC000345453152	382302550	/nfs/dbraw/zinc/30/25/50/382302550.db2.gz	ZSPUOKQANVHDCF-UHFFFAOYSA-N	-1	0	278.406	2.554	20	30		CFEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000345838446	382316982	/nfs/dbraw/zinc/31/69/82/382316982.db2.gz	DAFOJDIAGQXHPU-LBPRGKRZSA-N	-1	0	267.712	2.548	20	30		CFEDRM
Cc1nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2o1	ZINC000188258835	382378481	/nfs/dbraw/zinc/37/84/81/382378481.db2.gz	COFNMQLXHQGLAR-UHFFFAOYSA-N	-1	0	293.282	2.966	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188393031	382405030	/nfs/dbraw/zinc/40/50/30/382405030.db2.gz	GFPHUNGLVLBXPQ-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1	ZINC000188423589	382411181	/nfs/dbraw/zinc/41/11/81/382411181.db2.gz	LQUABAPGQUDSJE-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
N#Cc1cc2c(nc1NCCCCCC(=O)[O-])CCCC2	ZINC000043409285	184558959	/nfs/dbraw/zinc/55/89/59/184558959.db2.gz	LYSDXLUOXQFIIV-UHFFFAOYSA-N	-1	0	287.363	2.889	20	30		CFEDRM
N#CC(=C([O-])c1ccco1)c1cnc2ccccc2n1	ZINC000190956497	382686149	/nfs/dbraw/zinc/68/61/49/382686149.db2.gz	NYQAPUREAQCPBL-JTQLQIEISA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000398194163	382635411	/nfs/dbraw/zinc/63/54/11/382635411.db2.gz	BXXXHSQTAZPIEE-OLZOCXBDSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000192876121	382713284	/nfs/dbraw/zinc/71/32/84/382713284.db2.gz	ZEDPWZVCYWDPID-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
N#CC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCCC1	ZINC000578081179	382889150	/nfs/dbraw/zinc/88/91/50/382889150.db2.gz	OCUTXTOQIXDCSK-UHFFFAOYSA-N	-1	0	298.264	2.977	20	30		CFEDRM
CC(C)CCc1n[n-]c(=NCc2ccc(C#N)c(F)c2)o1	ZINC000421816062	382931406	/nfs/dbraw/zinc/93/14/06/382931406.db2.gz	WEMRDFQXOSWAKY-UHFFFAOYSA-N	-1	0	288.326	2.703	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1cccc(C(=O)[O-])c1	ZINC000237964643	382975198	/nfs/dbraw/zinc/97/51/98/382975198.db2.gz	YAAUGRVTOUTRME-UHFFFAOYSA-N	-1	0	287.237	2.575	20	30		CFEDRM
N#CC(=C([O-])c1sccc1C1CC1)c1ccncn1	ZINC000545447185	382977919	/nfs/dbraw/zinc/97/79/19/382977919.db2.gz	HJTSTBLXYQLYQG-NSHDSACASA-N	-1	0	269.329	2.906	20	30		CFEDRM
C=CCCCNC(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000447897430	383025712	/nfs/dbraw/zinc/02/57/12/383025712.db2.gz	MXSAFBDJOMMUJS-UHFFFAOYSA-N	-1	0	288.376	2.715	20	30		CFEDRM
C=C[C@@H]1CCCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000580835772	383080974	/nfs/dbraw/zinc/08/09/74/383080974.db2.gz	NXDBHUUIPUOZJB-SNVBAGLBSA-N	-1	0	291.307	2.541	20	30		CFEDRM
CC[C@@](C)(C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000583604089	383090686	/nfs/dbraw/zinc/09/06/86/383090686.db2.gz	VWJIDARQBOGFNS-LBPRGKRZSA-N	-1	0	270.691	2.607	20	30		CFEDRM
CC[C@](C)(C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000583604088	383090902	/nfs/dbraw/zinc/09/09/02/383090902.db2.gz	VWJIDARQBOGFNS-GFCCVEGCSA-N	-1	0	270.691	2.607	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1nc(-c2ccccc2)o[n-]1	ZINC000555855618	383149940	/nfs/dbraw/zinc/14/99/40/383149940.db2.gz	WFVOOXACYHVANW-KGLIPLIRSA-N	-1	0	285.347	2.552	20	30		CFEDRM
CC1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C#N	ZINC000339128071	383159561	/nfs/dbraw/zinc/15/95/61/383159561.db2.gz	OWQKQQHBCZBSED-AWEZNQCLSA-N	-1	0	289.335	2.815	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(O)cccc1Cl	ZINC000567249159	383256896	/nfs/dbraw/zinc/25/68/96/383256896.db2.gz	ZGLMTOVDUKEJGW-KCJUWKMLSA-N	-1	0	267.712	2.575	20	30		CFEDRM
C=CCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000248615263	383271640	/nfs/dbraw/zinc/27/16/40/383271640.db2.gz	ZEORQBNPAMDUHL-AVGNSLFASA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000567110833	383242166	/nfs/dbraw/zinc/24/21/66/383242166.db2.gz	ALVKCEJKEGDNME-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634899221	383396656	/nfs/dbraw/zinc/39/66/56/383396656.db2.gz	GDCXKRUXPYFIIJ-ZBEGNZNMSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CC1CCN(C(=O)CC2(C(=O)[O-])CCCCC2)CC1	ZINC000634904809	383398045	/nfs/dbraw/zinc/39/80/45/383398045.db2.gz	YHSQPERQBSGRDB-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1CC1	ZINC000634910959	383401093	/nfs/dbraw/zinc/40/10/93/383401093.db2.gz	ODEBTTBCSPZHAT-HNNXBMFYSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634916049	383402878	/nfs/dbraw/zinc/40/28/78/383402878.db2.gz	NJUVDGNEMSBDMI-SMDDNHRTSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634940727	383413537	/nfs/dbraw/zinc/41/35/37/383413537.db2.gz	MBEYOYXOQFZUJS-HNNXBMFYSA-N	-1	0	295.766	2.765	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634941958	383414164	/nfs/dbraw/zinc/41/41/64/383414164.db2.gz	QDYYJVJNRYOPKT-SWLSCSKDSA-N	-1	0	295.404	2.951	20	30		CFEDRM
C=CCCCNC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634833158	383373104	/nfs/dbraw/zinc/37/31/04/383373104.db2.gz	WJNVKCQDDHFTRU-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634941959	383414465	/nfs/dbraw/zinc/41/44/65/383414465.db2.gz	QDYYJVJNRYOPKT-WFASDCNBSA-N	-1	0	295.404	2.951	20	30		CFEDRM
C=CCN(CC=C)C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634851345	383381409	/nfs/dbraw/zinc/38/14/09/383381409.db2.gz	CPDGLTCGTWGWCU-HNNXBMFYSA-N	-1	0	267.369	2.714	20	30		CFEDRM
C=C(C)CN(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000481653155	383429378	/nfs/dbraw/zinc/42/93/78/383429378.db2.gz	FLBVUTSPTVHNAB-UHFFFAOYSA-N	-1	0	288.376	2.667	20	30		CFEDRM
C=CCC1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCC1	ZINC000450511557	383444422	/nfs/dbraw/zinc/44/44/22/383444422.db2.gz	BNJBMGVHRZBMFF-LBPRGKRZSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634947590	383417389	/nfs/dbraw/zinc/41/73/89/383417389.db2.gz	SESINDCJBXNNQG-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000634947378	383417557	/nfs/dbraw/zinc/41/75/57/383417557.db2.gz	NLGPTCUJLQZLDL-OLZOCXBDSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634947785	383417728	/nfs/dbraw/zinc/41/77/28/383417728.db2.gz	XPCGGCCUMDDFLZ-QWHCGFSZSA-N	-1	0	279.380	2.762	20	30		CFEDRM
C#CCN(C(=O)c1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000261719903	383548523	/nfs/dbraw/zinc/54/85/23/383548523.db2.gz	FRFUWFWAMMRXSM-UHFFFAOYSA-N	-1	0	285.343	2.793	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000635530527	383578594	/nfs/dbraw/zinc/57/85/94/383578594.db2.gz	WZISENISZYQOFF-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000430527350	383594550	/nfs/dbraw/zinc/59/45/50/383594550.db2.gz	UUQXGFBBDZXZPZ-GFCCVEGCSA-N	-1	0	269.304	2.739	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000262813336	383639776	/nfs/dbraw/zinc/63/97/76/383639776.db2.gz	DOVFRMQJKJPHRS-SNVBAGLBSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(OCCC)c1)C(=O)[O-]	ZINC000262829528	383640445	/nfs/dbraw/zinc/64/04/45/383640445.db2.gz	FSHCLNZNJYUYBZ-CQSZACIVSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC000262830980	383640934	/nfs/dbraw/zinc/64/09/34/383640934.db2.gz	FXCVSCZMROYCAT-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CSc1ccc(C)cc1)C(=O)[O-]	ZINC000262865491	383642098	/nfs/dbraw/zinc/64/20/98/383642098.db2.gz	JDQXSHIWIOXQBH-CYBMUJFWSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1nc(C(C)(C)C)[n-]s1	ZINC000435596039	383776705	/nfs/dbraw/zinc/77/67/05/383776705.db2.gz	GBOHSFVJEFEMIF-WDEREUQCSA-N	-1	0	281.425	2.651	20	30		CFEDRM
C=C(C)Cn1c(-c2scnc2C)n[n-]c1=NC(C)(C)C	ZINC000572878537	383831846	/nfs/dbraw/zinc/83/18/46/383831846.db2.gz	ONCHPZMEJYGAPY-UHFFFAOYSA-N	-1	0	291.424	2.918	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1cc(F)cc(Br)c1[O-]	ZINC000436854729	383898186	/nfs/dbraw/zinc/89/81/86/383898186.db2.gz	UBIWXUXVHKHGSN-LURJTMIESA-N	-1	0	288.116	2.598	20	30		CFEDRM
CC(C)[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271311494	385379430	/nfs/dbraw/zinc/37/94/30/385379430.db2.gz	LYOUQPOKLSMMOK-UEXZMILTSA-N	-1	0	292.335	2.923	20	30		CFEDRM
CCC#C[C@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000681041947	542403030	/nfs/dbraw/zinc/40/30/30/542403030.db2.gz	FYGYYGTUYWCXBI-JTQLQIEISA-N	-1	0	275.377	2.631	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(C)C	ZINC000281253501	195168640	/nfs/dbraw/zinc/16/86/40/195168640.db2.gz	CZAZUYRWROBNOU-SNVBAGLBSA-N	-1	0	274.345	2.504	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)CC2CCCCC2)c1C#N	ZINC000357239706	130426095	/nfs/dbraw/zinc/42/60/95/130426095.db2.gz	HMMPLYUCCNXKPM-SNVBAGLBSA-N	-1	0	274.368	2.557	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237573961	131043001	/nfs/dbraw/zinc/04/30/01/131043001.db2.gz	PQFLVMPUNNCUJV-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237745116	131055529	/nfs/dbraw/zinc/05/55/29/131055529.db2.gz	AVJXKZIBZNYYDK-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
CC[C@@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410541877	393629172	/nfs/dbraw/zinc/62/91/72/393629172.db2.gz	PGZWHVYQSFCMPB-YPMHNXCESA-N	-1	0	274.368	2.522	20	30		CFEDRM
N#Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1F	ZINC000080024130	393723100	/nfs/dbraw/zinc/72/31/00/393723100.db2.gz	ZGICNOMWOXAVDA-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H](CC(C)C)OC)s1	ZINC000416903132	393945923	/nfs/dbraw/zinc/94/59/23/393945923.db2.gz	ZRTQLUGBNNXREK-JTQLQIEISA-N	-1	0	287.454	2.711	20	30		CFEDRM
COc1cc(/C=C/c2ccncc2C#N)cc([N+](=O)[O-])c1[O-]	ZINC000436813337	394022913	/nfs/dbraw/zinc/02/29/13/394022913.db2.gz	DMVKICXAPMGVCW-NSCUHMNNSA-N	-1	0	297.270	2.746	20	30		CFEDRM
CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000126322870	394025604	/nfs/dbraw/zinc/02/56/04/394025604.db2.gz	QOFFEXIHLRWZMN-ZWNOBZJWSA-N	-1	0	296.367	2.554	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C\SCc1ccco1)C(=O)[O-]	ZINC000493350015	394218542	/nfs/dbraw/zinc/21/85/42/394218542.db2.gz	IAWNXSMMGAAZKD-UPZNUWHASA-N	-1	0	295.360	2.562	20	30		CFEDRM
C#CCCCCC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000367371808	394254373	/nfs/dbraw/zinc/25/43/73/394254373.db2.gz	NMSIQMOXSQLIKJ-UHFFFAOYSA-N	-1	0	291.401	2.821	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379277	395320344	/nfs/dbraw/zinc/32/03/44/395320344.db2.gz	XBVZWSXMMLQABX-JTQLQIEISA-N	-1	0	286.360	2.727	20	30		CFEDRM
Cn1c(C#N)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380040	395320399	/nfs/dbraw/zinc/32/03/99/395320399.db2.gz	FFRUFDUCAVTOLD-NSHDSACASA-N	-1	0	296.355	2.721	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1Nc1ncc(C(=O)[O-])cc1Cl	ZINC000647455861	395339611	/nfs/dbraw/zinc/33/96/11/395339611.db2.gz	SDWIWVFIZIISFL-MNOVXSKESA-N	-1	0	282.727	2.579	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000653344066	413295274	/nfs/dbraw/zinc/29/52/74/413295274.db2.gz	MTIZBCWFMFCGBR-OCCSQVGLSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCOc1ccccc1-c1cnn(CCC(=O)[O-])c1	ZINC000657205527	413335927	/nfs/dbraw/zinc/33/59/27/413335927.db2.gz	XZIKKHVPMOWWND-UHFFFAOYSA-N	-1	0	286.331	2.980	20	30		CFEDRM
C=CCOc1ccccc1C(=O)N[C@H](CCCC)C(=O)[O-]	ZINC000035409992	172180532	/nfs/dbraw/zinc/18/05/32/172180532.db2.gz	UAWVNUBOHIDORD-CYBMUJFWSA-N	-1	0	291.347	2.625	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1	ZINC000651722011	413591220	/nfs/dbraw/zinc/59/12/20/413591220.db2.gz	NXDLEHFNQIAOHV-VIFPVBQESA-N	-1	0	288.376	2.664	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000654810418	414002771	/nfs/dbraw/zinc/00/27/71/414002771.db2.gz	OLDVFZMAPQZCRP-ZWNOBZJWSA-N	-1	0	294.326	2.605	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)CCCC1	ZINC000665316385	414279857	/nfs/dbraw/zinc/27/98/57/414279857.db2.gz	DIQWNAOWOGOXOI-CYBMUJFWSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F	ZINC000655660414	414347570	/nfs/dbraw/zinc/34/75/70/414347570.db2.gz	XXCZFRDCRUYTTM-SNVBAGLBSA-N	-1	0	297.298	2.687	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000659153284	414455560	/nfs/dbraw/zinc/45/55/60/414455560.db2.gz	HWAKZDNVSDWXCW-GFCCVEGCSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000659155141	414456860	/nfs/dbraw/zinc/45/68/60/414456860.db2.gz	YSLNXMZJNFLBDI-RUXDESIVSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC000659154448	414456970	/nfs/dbraw/zinc/45/69/70/414456970.db2.gz	QGHQUQNKNMFZHO-SWLSCSKDSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000659165936	414459664	/nfs/dbraw/zinc/45/96/64/414459664.db2.gz	CFJWGAZEWLBQHK-YPMHNXCESA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000659170372	414461836	/nfs/dbraw/zinc/46/18/36/414461836.db2.gz	VGHVEXGZIHIOTI-GFCCVEGCSA-N	-1	0	273.332	2.813	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	ZINC000659169930	414461992	/nfs/dbraw/zinc/46/19/92/414461992.db2.gz	MEFSEWNDASDYQM-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000659170373	414462027	/nfs/dbraw/zinc/46/20/27/414462027.db2.gz	VGHVEXGZIHIOTI-LBPRGKRZSA-N	-1	0	273.332	2.813	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC(=O)[O-]	ZINC000659229802	414474905	/nfs/dbraw/zinc/47/49/05/414474905.db2.gz	VBRHXJVDEIAQSR-TXEJJXNPSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000655872942	414487050	/nfs/dbraw/zinc/48/70/50/414487050.db2.gz	SZSAYCUDDNSSEK-TZMCWYRMSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876772	414487308	/nfs/dbraw/zinc/48/73/08/414487308.db2.gz	SSDGGGUOIKQGFR-FVCCEPFGSA-N	-1	0	296.411	2.776	20	30		CFEDRM
C=CCC1(NC(=O)NCC2(C(=O)[O-])CCC2)CCCCC1	ZINC000659425264	414519457	/nfs/dbraw/zinc/51/94/57/414519457.db2.gz	HOEHEDGWYXVCKQ-UHFFFAOYSA-N	-1	0	294.395	2.820	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000656491894	414592128	/nfs/dbraw/zinc/59/21/28/414592128.db2.gz	SGXLTQCUJCYUHA-ZDUSSCGKSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC1(CNC(=O)N2CCC[C@H]2C(=O)[O-])CCCC1	ZINC000656588749	414610605	/nfs/dbraw/zinc/61/06/05/414610605.db2.gz	SOLITDUCAGSATK-ZDUSSCGKSA-N	-1	0	294.395	2.772	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@@H](C(=O)[O-])C2CCC2)c1	ZINC000662902080	414632031	/nfs/dbraw/zinc/63/20/31/414632031.db2.gz	LHHFKNCHTJNOTG-CQSZACIVSA-N	-1	0	286.331	2.674	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000663119951	414653289	/nfs/dbraw/zinc/65/32/89/414653289.db2.gz	QRHHDQMXZYWCOT-ZDUSSCGKSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000663119948	414653325	/nfs/dbraw/zinc/65/33/25/414653325.db2.gz	QRHHDQMXZYWCOT-CYBMUJFWSA-N	-1	0	267.369	2.740	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)nn1	ZINC001243153731	782021380	/nfs/dbraw/zinc/02/13/80/782021380.db2.gz	RTZOKGFFQAHGGF-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
CC(C)[C@H](C)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000079077585	177429308	/nfs/dbraw/zinc/42/93/08/177429308.db2.gz	YUXMQLQDBWGYCV-VIFPVBQESA-N	-1	0	276.365	2.584	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)cnc2ccccc12	ZINC000354466951	227004040	/nfs/dbraw/zinc/00/40/40/227004040.db2.gz	KNFAWECEWWGZNK-CYBMUJFWSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1cc(N=C([O-])c2csc(C3CC3)n2)cn(C)c1=O	ZINC000330180467	228058378	/nfs/dbraw/zinc/05/83/78/228058378.db2.gz	GAHDAXXYIUCSDZ-UHFFFAOYSA-N	-1	0	289.360	2.664	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2CCCCO2)c1[O-]	ZINC000049212538	260204019	/nfs/dbraw/zinc/20/40/19/260204019.db2.gz	VINMKVYCAFJNEA-BXRZMRDGSA-N	-1	0	298.726	2.942	20	30		CFEDRM
CC(=O)c1cc(Cl)cc(CN(C)C[C@H](C)C#N)c1O	ZINC000050144448	260206493	/nfs/dbraw/zinc/20/64/93/260206493.db2.gz	IWLIMNIUOQTHAM-SECBINFHSA-N	-1	0	280.755	2.840	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000521049422	260238295	/nfs/dbraw/zinc/23/82/95/260238295.db2.gz	VQQCUMZYPZRPFQ-UHFFFAOYSA-N	-1	0	298.726	2.992	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125687	260265203	/nfs/dbraw/zinc/26/52/03/260265203.db2.gz	JIEPQAXKVNAUMZ-UHFFFAOYSA-N	-1	0	297.376	2.703	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2[nH]1	ZINC000103329244	261280213	/nfs/dbraw/zinc/28/02/13/261280213.db2.gz	RIZIZJOHXQQPGG-QMMMGPOBSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CCC)CC(=O)[O-])c1ccccc1	ZINC000190781739	262185521	/nfs/dbraw/zinc/18/55/21/262185521.db2.gz	AGGJMKIEOLAQIO-ZDUSSCGKSA-N	-1	0	275.348	2.670	20	30		CFEDRM
CC(C)c1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354475714	262264285	/nfs/dbraw/zinc/26/42/85/262264285.db2.gz	YEJJZGYAFHHDRR-SECBINFHSA-N	-1	0	272.333	2.547	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncnc2)n1	ZINC000355236584	262356147	/nfs/dbraw/zinc/35/61/47/262356147.db2.gz	XCGGYZMELSYWTL-SNVBAGLBSA-N	-1	0	272.333	2.547	20	30		CFEDRM
C=CCC1(CNC(=O)N(C)CCCC(=O)[O-])CCCC1	ZINC000414610196	263009280	/nfs/dbraw/zinc/00/92/80/263009280.db2.gz	MZDBPMHFRKHURY-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
Cc1nnc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000273483890	263017127	/nfs/dbraw/zinc/01/71/27/263017127.db2.gz	JKWCIRCGSJZYDP-PQHBYJLHSA-N	-1	0	292.320	2.640	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H]1C#N	ZINC000277520781	263041669	/nfs/dbraw/zinc/04/16/69/263041669.db2.gz	LQMVDEVYDFNCNG-LBPRGKRZSA-N	-1	0	294.301	2.825	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000277866142	263044225	/nfs/dbraw/zinc/04/42/25/263044225.db2.gz	BHDLIHSHLCHSMR-SNVBAGLBSA-N	-1	0	284.718	2.853	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C)n1	ZINC000118911947	263128983	/nfs/dbraw/zinc/12/89/83/263128983.db2.gz	JJNHZZOACOAUPE-MRVPVSSYSA-N	-1	0	263.347	2.707	20	30		CFEDRM
C[C@@H](CC#N)N(C)Cc1cc(Cl)c(F)cc1[O-]	ZINC000295287782	263175615	/nfs/dbraw/zinc/17/56/15/263175615.db2.gz	IZPZNGSRUZBGII-QMMMGPOBSA-N	-1	0	256.708	2.919	20	30		CFEDRM
C[C@H](CC#N)N(C)Cc1cc(Cl)c(F)cc1[O-]	ZINC000295287779	263175626	/nfs/dbraw/zinc/17/56/26/263175626.db2.gz	IZPZNGSRUZBGII-MRVPVSSYSA-N	-1	0	256.708	2.919	20	30		CFEDRM
CC(C)(C#N)CN=c1[n-]nc(Cc2ccccc2)s1	ZINC000340853422	263308827	/nfs/dbraw/zinc/30/88/27/263308827.db2.gz	RFFANSBNDZKOKT-UHFFFAOYSA-N	-1	0	272.377	2.512	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)NCC2(C)CCCC2)[n-]n1	ZINC000331060941	264110112	/nfs/dbraw/zinc/11/01/12/264110112.db2.gz	NOJWOMYWCHXAGX-UHFFFAOYSA-N	-1	0	292.383	2.592	20	30		CFEDRM
O=C(N[C@H](CO)CC1CCCC1)c1cc(F)c([O-])c(F)c1	ZINC000331250424	264180780	/nfs/dbraw/zinc/18/07/80/264180780.db2.gz	YYZYLQCOBWUEJQ-NSHDSACASA-N	-1	0	299.317	2.916	20	30		CFEDRM
C=C[C@@H](C)NC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000362630333	267026693	/nfs/dbraw/zinc/02/66/93/267026693.db2.gz	HKCLFBXPBDCIEU-MRVPVSSYSA-N	-1	0	268.386	2.560	20	30		CFEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000435777572	268103644	/nfs/dbraw/zinc/10/36/44/268103644.db2.gz	JDOHXJAAYMTJHO-LBPRGKRZSA-N	-1	0	290.282	2.826	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000192920498	277783058	/nfs/dbraw/zinc/78/30/58/277783058.db2.gz	OLNOIWDZPBCXFD-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
COc1nc(-c2ccc(C)c(C(=O)[O-])c2)ccc1C#N	ZINC001243193670	782054092	/nfs/dbraw/zinc/05/40/92/782054092.db2.gz	IRQALCIDIRFGFD-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2ncccc2CC#N)cc1C(=O)[O-]	ZINC001243193546	782054189	/nfs/dbraw/zinc/05/41/89/782054189.db2.gz	WFTLGFRMVHUKQB-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2ncc3c(C#N)c[nH]c3n2)cc1C(=O)[O-]	ZINC001243193343	782054301	/nfs/dbraw/zinc/05/43/01/782054301.db2.gz	AXUQDCQIQAQQHG-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc2nc[nH]c2c(C#N)n1	ZINC001243202058	782061797	/nfs/dbraw/zinc/06/17/97/782061797.db2.gz	IKVILRQLWJGOQQ-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N(C)C[C@H](C)C(=O)[O-])c2c1	ZINC000263567325	301927856	/nfs/dbraw/zinc/92/78/56/301927856.db2.gz	XLEKIHMELLBCKD-NSHDSACASA-N	-1	0	283.331	2.572	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000052856180	303180814	/nfs/dbraw/zinc/18/08/14/303180814.db2.gz	JEVOXRVHJBPAKG-VIFPVBQESA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H](C(=O)[O-])C2)ccc1C(F)(F)F	ZINC000163839411	303184780	/nfs/dbraw/zinc/18/47/80/303184780.db2.gz	RPFZXGZPBUWGSV-VIFPVBQESA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(-c2cc(C#N)nc(C3CC3)n2)ccc1C(=O)[O-]	ZINC001243213921	782074156	/nfs/dbraw/zinc/07/41/56/782074156.db2.gz	GMIISCSUPSYMJE-UHFFFAOYSA-N	-1	0	279.299	2.899	20	30		CFEDRM
C=CC1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000186803893	327702842	/nfs/dbraw/zinc/70/28/42/327702842.db2.gz	SUMHCAHTKJVIDJ-UHFFFAOYSA-N	-1	0	267.275	2.709	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CC(C)(C)C(=O)[O-]	ZINC000571359515	328115847	/nfs/dbraw/zinc/11/58/47/328115847.db2.gz	OYDFRWULFDKUHH-UHFFFAOYSA-N	-1	0	281.377	2.764	20	30		CFEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000340037026	328116685	/nfs/dbraw/zinc/11/66/85/328116685.db2.gz	GECQNFXMUFLUJW-SNVBAGLBSA-N	-1	0	265.272	2.954	20	30		CFEDRM
CC(C)(C#N)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000278625523	328228731	/nfs/dbraw/zinc/22/87/31/328228731.db2.gz	FHYSZONVLJJKSD-UHFFFAOYSA-N	-1	0	297.698	2.832	20	30		CFEDRM
CC(C)n1cc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)nn1	ZINC000287277672	328250525	/nfs/dbraw/zinc/25/05/25/328250525.db2.gz	RHVXYZVEQJDFDM-WEVVVXLNSA-N	-1	0	287.294	2.526	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1	ZINC000048518668	328309536	/nfs/dbraw/zinc/30/95/36/328309536.db2.gz	UZEJEAIGZJALON-BQYQJAHWSA-N	-1	0	292.360	2.658	20	30		CFEDRM
O=C(NCC#Cc1ccccc1)c1ccc([O-])c(Cl)c1	ZINC000049346833	328355302	/nfs/dbraw/zinc/35/53/02/328355302.db2.gz	AYPXYMYXJKPPFF-UHFFFAOYSA-N	-1	0	285.730	2.827	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)o1	ZINC000182795340	323882351	/nfs/dbraw/zinc/88/23/51/323882351.db2.gz	ABDGALJHPQAQOP-UHFFFAOYSA-N	-1	0	294.307	2.708	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(F)c1)c1cccc(C#N)c1	ZINC000186699411	323984812	/nfs/dbraw/zinc/98/48/12/323984812.db2.gz	YKRURDYSCYTPHT-UHFFFAOYSA-N	-1	0	288.253	2.819	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1[O-]	ZINC000188208449	324009960	/nfs/dbraw/zinc/00/99/60/324009960.db2.gz	JACCPOZYFQMYKS-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
N#Cc1nc(NC(=O)c2ccc(C3CCC3)cc2)[n-]c1C#N	ZINC000192038280	324057070	/nfs/dbraw/zinc/05/70/70/324057070.db2.gz	QKSVXPARSDLQCC-UHFFFAOYSA-N	-1	0	291.314	2.673	20	30		CFEDRM
CC(=Cc1ccc(C)s1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193610114	324073953	/nfs/dbraw/zinc/07/39/53/324073953.db2.gz	VRWBYCAYZPOFDJ-SOFGYWHQSA-N	-1	0	271.345	2.880	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000262852656	326960744	/nfs/dbraw/zinc/96/07/44/326960744.db2.gz	HXMAVQORSLLUKQ-NEPJUHHUSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000263540549	327078367	/nfs/dbraw/zinc/07/83/67/327078367.db2.gz	QPKOLRQBLZGNNM-LLVKDONJSA-N	-1	0	267.350	2.514	20	30		CFEDRM
CC(C)[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC000107098948	327247880	/nfs/dbraw/zinc/24/78/80/327247880.db2.gz	IKBNDCWVMCHXQI-VIMFPOPESA-N	-1	0	289.162	2.628	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000261856083	327457148	/nfs/dbraw/zinc/45/71/48/327457148.db2.gz	XIGUUGLGPBUVEW-ZDUSSCGKSA-N	-1	0	282.384	2.629	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1	ZINC000042344071	328768286	/nfs/dbraw/zinc/76/82/86/328768286.db2.gz	GKOYQIHQMAYZOM-MDZDMXLPSA-N	-1	0	267.350	2.786	20	30		CFEDRM
C=CCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)C1	ZINC000180296682	329219485	/nfs/dbraw/zinc/21/94/85/329219485.db2.gz	MFLPURKNSCSMQP-LSDHHAIUSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000262268830	330003337	/nfs/dbraw/zinc/00/33/37/330003337.db2.gz	GJPXWHUFRAWQAF-UHFFFAOYSA-N	-1	0	285.343	2.793	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1cccs1)C(=O)[O-]	ZINC000262849433	330035345	/nfs/dbraw/zinc/03/53/45/330035345.db2.gz	HRMFTOHRRNXCOC-JTQLQIEISA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000262855061	330035406	/nfs/dbraw/zinc/03/54/06/330035406.db2.gz	IEVCPANWNMHBGP-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000262927372	330037037	/nfs/dbraw/zinc/03/70/37/330037037.db2.gz	OOJQDMSWFHMWOM-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000262948466	330037646	/nfs/dbraw/zinc/03/76/46/330037646.db2.gz	HWZQQBBPBCCWLZ-INIZCTEOSA-N	-1	0	275.348	2.501	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1scnc1C(C)(C)C)C(=O)[O-]	ZINC000262972470	330037813	/nfs/dbraw/zinc/03/78/13/330037813.db2.gz	STMAWXGFFVSQII-SECBINFHSA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000263011573	330038786	/nfs/dbraw/zinc/03/87/86/330038786.db2.gz	XGGFUHXGAUCFRO-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000263024856	330039316	/nfs/dbraw/zinc/03/93/16/330039316.db2.gz	YJASLWYXMFPSIC-UONOGXRCSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000263034868	330039867	/nfs/dbraw/zinc/03/98/67/330039867.db2.gz	CLDQLNNARGGJKR-NWDGAFQWSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000263154733	330046303	/nfs/dbraw/zinc/04/63/03/330046303.db2.gz	HVERHFJKBSQLCK-SECBINFHSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1	ZINC000263193607	330048518	/nfs/dbraw/zinc/04/85/18/330048518.db2.gz	IXQUZYFKCQPCIB-NWDGAFQWSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263333398	330052512	/nfs/dbraw/zinc/05/25/12/330052512.db2.gz	QJJIAQDXRAEPQP-NEPJUHHUSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](c1ccccc1)C1CC1)C(=O)[O-]	ZINC000263513049	330058304	/nfs/dbraw/zinc/05/83/04/330058304.db2.gz	CXNDEXDSSVIIOF-HUUCEWRRSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000580467536	330142179	/nfs/dbraw/zinc/14/21/79/330142179.db2.gz	ZXGHSRMZRXVFAT-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CC(C)CN=c1[n-]nc(S[C@H]2CC[C@H](C#N)C2)s1	ZINC000430137497	330562041	/nfs/dbraw/zinc/56/20/41/330562041.db2.gz	YUJBWXCLEGRYRW-UWVGGRQHSA-N	-1	0	282.438	2.812	20	30		CFEDRM
C=C(C)CNC(=O)c1cc(F)cc(Br)c1[O-]	ZINC000436845730	330686556	/nfs/dbraw/zinc/68/65/56/330686556.db2.gz	ABJLZNUFEJZOEK-UHFFFAOYSA-N	-1	0	288.116	2.600	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC000447504369	330867169	/nfs/dbraw/zinc/86/71/69/330867169.db2.gz	NFQDOYOGWBLNJG-SECBINFHSA-N	-1	0	291.738	2.536	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1scnc1C(C)C	ZINC000451104258	331015619	/nfs/dbraw/zinc/01/56/19/331015619.db2.gz	QOIUGFVAJFDEOB-UHFFFAOYSA-N	-1	0	260.384	2.584	20	30		CFEDRM
C=C(C)COCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000163543567	331054681	/nfs/dbraw/zinc/05/46/81/331054681.db2.gz	ZAYIMHRJWOTANN-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1	ZINC000453573591	331134587	/nfs/dbraw/zinc/13/45/87/331134587.db2.gz	APOKDHJFXNPQIV-ZDUSSCGKSA-N	-1	0	280.331	2.541	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1C(C)C	ZINC000453574665	331134590	/nfs/dbraw/zinc/13/45/90/331134590.db2.gz	CBANVRIFSQFHQY-CYBMUJFWSA-N	-1	0	297.362	2.669	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N=c1[n-]nc(-c2ccco2)s1	ZINC000454510993	331147673	/nfs/dbraw/zinc/14/76/73/331147673.db2.gz	FJUMXZWONHCUQI-UHFFFAOYSA-N	-1	0	292.364	2.554	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F	ZINC000489692576	332065119	/nfs/dbraw/zinc/06/51/19/332065119.db2.gz	UKZDSPATKHKSOZ-LLVKDONJSA-N	-1	0	299.358	2.993	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F	ZINC000489830292	332069527	/nfs/dbraw/zinc/06/95/27/332069527.db2.gz	KDKFQKQCHQSFAM-VHSXEESVSA-N	-1	0	287.347	2.849	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(CSC)cc1)C(=O)[O-]	ZINC000315876999	333384110	/nfs/dbraw/zinc/38/41/10/333384110.db2.gz	JVQPIMDKDQPOTD-ZDUSSCGKSA-N	-1	0	293.388	2.699	20	30		CFEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc2ccccc2[nH]1	ZINC000551925987	334266404	/nfs/dbraw/zinc/26/64/04/334266404.db2.gz	JLXBGGOVVYMOTG-SNVBAGLBSA-N	-1	0	292.298	2.918	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263288090	334594958	/nfs/dbraw/zinc/59/49/58/334594958.db2.gz	UVZCCTZWEVABRY-GFCCVEGCSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000567970675	334780136	/nfs/dbraw/zinc/78/01/36/334780136.db2.gz	SJKISQXFSOWDTM-YPMHNXCESA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=CCOc1ccc(CN=c2ccc(OC(C)C)n[n-]2)cc1	ZINC000576558320	335218621	/nfs/dbraw/zinc/21/86/21/335218621.db2.gz	AZEKNUYCNCRURI-UHFFFAOYSA-N	-1	0	299.374	2.863	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1	ZINC000177017481	335354211	/nfs/dbraw/zinc/35/42/11/335354211.db2.gz	NCICJGKPWBLKSI-UHFFFAOYSA-N	-1	0	288.253	2.989	20	30		CFEDRM
C=CCOc1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1	ZINC000577529737	335365565	/nfs/dbraw/zinc/36/55/65/335365565.db2.gz	XUZDVFGAGBLJBB-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CC(C)C2)c1	ZINC000578383591	335624101	/nfs/dbraw/zinc/62/41/01/335624101.db2.gz	SHCKGXVVLPEZKA-UHFFFAOYSA-N	-1	0	286.331	2.863	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(CCC)[C@H](CC)C(=O)[O-]	ZINC000579322398	335734278	/nfs/dbraw/zinc/73/42/78/335734278.db2.gz	FHANPOUZKODHJX-VXGBXAGGSA-N	-1	0	270.373	2.626	20	30		CFEDRM
Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(C#N)CCCC3)c2C)o1	ZINC000334904876	534161077	/nfs/dbraw/zinc/16/10/77/534161077.db2.gz	HHQNKAFDOIOKRL-UHFFFAOYSA-N	-1	0	298.346	2.731	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000330272307	534331058	/nfs/dbraw/zinc/33/10/58/534331058.db2.gz	XKWJUIQPBITQBS-IXBNRNDTSA-N	-1	0	278.381	2.594	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(Cl)c(C#N)n1	ZINC000263400096	519207766	/nfs/dbraw/zinc/20/77/66/519207766.db2.gz	ITMGCOJGRJISCG-UHFFFAOYSA-N	-1	0	267.716	2.662	20	30		CFEDRM
CC(C)C1CCC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000338103142	519561452	/nfs/dbraw/zinc/56/14/52/519561452.db2.gz	VZAPDLVMOFYQDG-UHFFFAOYSA-N	-1	0	285.351	2.554	20	30		CFEDRM
Cc1ccsc1-c1nc(=NC(=O)NC2CCC2)s[n-]1	ZINC000329979471	534454120	/nfs/dbraw/zinc/45/41/20/534454120.db2.gz	JQDBWSTUMYAXFN-UHFFFAOYSA-N	-1	0	294.405	2.875	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)CC(C)(C)C)[n-]1	ZINC000361862594	519931465	/nfs/dbraw/zinc/93/14/65/519931465.db2.gz	PBZUYGVQOBTMCU-NSHDSACASA-N	-1	0	276.384	2.768	20	30		CFEDRM
CCCC[C@@H](CC)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361920143	521017235	/nfs/dbraw/zinc/01/72/35/521017235.db2.gz	TVRLIYKTEDHLIU-GFCCVEGCSA-N	-1	0	276.384	2.912	20	30		CFEDRM
CN(CCCC(=O)[O-])c1cc(Cl)ccc1C#N	ZINC000062784879	522725437	/nfs/dbraw/zinc/72/54/37/522725437.db2.gz	OPTOBMSYJNFOHX-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H](O)CC2CCCC2)s1	ZINC000352900850	526521281	/nfs/dbraw/zinc/52/12/81/526521281.db2.gz	KBVYHZFYBCKSHN-NSHDSACASA-N	-1	0	299.465	2.591	20	30		CFEDRM
N#Cc1c(F)cccc1NCCCCCC(=O)[O-]	ZINC000071293542	526524347	/nfs/dbraw/zinc/52/43/47/526524347.db2.gz	DFOZLNOCXAMSFW-UHFFFAOYSA-N	-1	0	250.273	2.754	20	30		CFEDRM
CC(C)(C)c1[n-]n(C[C@H]2CCCO2)c(=O)c1CCC#N	ZINC000347884707	526887067	/nfs/dbraw/zinc/88/70/67/526887067.db2.gz	GSLBJCGQBODRQS-LLVKDONJSA-N	-1	0	277.368	2.521	20	30		CFEDRM
Cc1nc(NCCCCCC(=O)[O-])c(Cl)cc1C#N	ZINC000311735266	526997145	/nfs/dbraw/zinc/99/71/45/526997145.db2.gz	RUCYREKVOHDXMD-UHFFFAOYSA-N	-1	0	281.743	2.972	20	30		CFEDRM
CCC(CC)n1ccc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000354472705	528896024	/nfs/dbraw/zinc/89/60/24/528896024.db2.gz	PHTMTFLDGPKNJV-GFCCVEGCSA-N	-1	0	283.335	2.524	20	30		CFEDRM
CCC(CC)n1nc(C([O-])=C(C#N)c2ccncn2)cc1C	ZINC000354466661	528903126	/nfs/dbraw/zinc/90/31/26/528903126.db2.gz	NDENEWLWTNKDHZ-CYBMUJFWSA-N	-1	0	297.362	2.833	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000738427598	574049325	/nfs/dbraw/zinc/04/93/25/574049325.db2.gz	DBRGJRCIYLWBHC-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
Cc1nc(C)c(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000736427968	574051575	/nfs/dbraw/zinc/05/15/75/574051575.db2.gz	DSARRHYLDJTYNB-UHFFFAOYSA-N	-1	0	275.333	2.904	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000736427830	574051726	/nfs/dbraw/zinc/05/17/26/574051726.db2.gz	VUPLOSIAPGQDLI-KBPBESRZSA-N	-1	0	294.395	2.666	20	30		CFEDRM
C[C@@H](CC#N)Sc1ccccc1NCC(=O)[O-]	ZINC000736544276	574058994	/nfs/dbraw/zinc/05/89/94/574058994.db2.gz	DALUJOHAKNDDRG-VIFPVBQESA-N	-1	0	250.323	2.577	20	30		CFEDRM
O=C(OCCC#Cc1ccccc1)c1ccc([N+](=O)[O-])[n-]1	ZINC000744187098	574059616	/nfs/dbraw/zinc/05/96/16/574059616.db2.gz	KHOQITSIVHFOLC-UHFFFAOYSA-N	-1	0	284.271	2.522	20	30		CFEDRM
C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1cccc(C#N)c1	ZINC000736683120	574064943	/nfs/dbraw/zinc/06/49/43/574064943.db2.gz	IBNSSQNAVRBZSV-NSHDSACASA-N	-1	0	290.319	2.552	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1	ZINC000736683629	574064996	/nfs/dbraw/zinc/06/49/96/574064996.db2.gz	WIBPEIIJNQCQSF-UHFFFAOYSA-N	-1	0	272.691	2.674	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738493214	574095291	/nfs/dbraw/zinc/09/52/91/574095291.db2.gz	LMXYGYAFLRXVGI-SNVBAGLBSA-N	-1	0	278.308	2.696	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738505807	574103955	/nfs/dbraw/zinc/10/39/55/574103955.db2.gz	SZZOGTFYPXPQKG-UHFFFAOYSA-N	-1	0	295.364	2.817	20	30		CFEDRM
CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000737058296	574104743	/nfs/dbraw/zinc/10/47/43/574104743.db2.gz	OKCAXISNBJQXNX-UHFFFAOYSA-N	-1	0	294.310	2.923	20	30		CFEDRM
CCOc1ccc(/C=N\Cc2ccc(C(=O)[O-])o2)c(O)c1	ZINC000737198679	574118288	/nfs/dbraw/zinc/11/82/88/574118288.db2.gz	FAYKHADEWOFJFF-PXNMLYILSA-N	-1	0	289.287	2.701	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)n1C	ZINC000754901005	574127582	/nfs/dbraw/zinc/12/75/82/574127582.db2.gz	NFEBECMCJWCCRS-UHFFFAOYSA-N	-1	0	271.320	2.786	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ncccc1Cl	ZINC000740619359	574129683	/nfs/dbraw/zinc/12/96/83/574129683.db2.gz	CVWSMYYOJFUEJQ-MRVPVSSYSA-N	-1	0	282.731	2.571	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@@H]2CCO[C@H]21	ZINC000737426629	574140159	/nfs/dbraw/zinc/14/01/59/574140159.db2.gz	BVGWGMFCQFMQAV-GXFFZTMASA-N	-1	0	274.320	2.598	20	30		CFEDRM
COc1ccc(CCNN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000737440757	574141038	/nfs/dbraw/zinc/14/10/38/574141038.db2.gz	ODLDPGZNRJJLCM-UHFFFAOYSA-N	-1	0	298.342	2.560	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000737534564	574146831	/nfs/dbraw/zinc/14/68/31/574146831.db2.gz	RSTYIIWUNGSSPT-UHFFFAOYSA-N	-1	0	260.293	2.591	20	30		CFEDRM
CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1	ZINC000746394799	574147402	/nfs/dbraw/zinc/14/74/02/574147402.db2.gz	RPRMRCNIAORWGF-FBKCMUNRSA-N	-1	0	292.335	2.925	20	30		CFEDRM
C=CCN(C(=O)c1cc(F)c(F)c([O-])c1F)C(C)C	ZINC000755244220	574149826	/nfs/dbraw/zinc/14/98/26/574149826.db2.gz	FRHNOSQWGQALIB-UHFFFAOYSA-N	-1	0	273.254	2.846	20	30		CFEDRM
CCn1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000732527163	574160423	/nfs/dbraw/zinc/16/04/23/574160423.db2.gz	LGSVCHOMIBNKBF-UHFFFAOYSA-N	-1	0	292.726	2.701	20	30		CFEDRM
C[C@H](Oc1cccc(C=NNc2ccccc2)c1)C(=O)[O-]	ZINC000746677463	574161887	/nfs/dbraw/zinc/16/18/87/574161887.db2.gz	XODMWHAPHQJBEB-LBPRGKRZSA-N	-1	0	284.315	2.985	20	30		CFEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)CC	ZINC000732606467	574163105	/nfs/dbraw/zinc/16/31/05/574163105.db2.gz	HIUNWVDUSXHNPO-UHFFFAOYSA-N	-1	0	263.403	2.593	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H]2C[C@H]2c2ccccc2)n1	ZINC000755463419	574163481	/nfs/dbraw/zinc/16/34/81/574163481.db2.gz	IOSHDFNBSVPOAW-OLZOCXBDSA-N	-1	0	268.320	2.692	20	30		CFEDRM
Cc1ccc(O)c(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000755472234	574164412	/nfs/dbraw/zinc/16/44/12/574164412.db2.gz	NURTYPIYSJCZHX-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
N#Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000738431540	574169051	/nfs/dbraw/zinc/16/90/51/574169051.db2.gz	WZBAWEOXCSPZQR-UHFFFAOYSA-N	-1	0	297.270	2.837	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(O)c(F)c1	ZINC000755599627	574170641	/nfs/dbraw/zinc/17/06/41/574170641.db2.gz	DDHNOTIMMFKBTC-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccccc1NC(=O)[O-]	ZINC000738494022	574171414	/nfs/dbraw/zinc/17/14/14/574171414.db2.gz	WDGJFCFNIJVIJC-SNVBAGLBSA-N	-1	0	278.308	2.696	20	30		CFEDRM
N#Cc1cccc(NN=Cc2cccc(F)c2[O-])c1	ZINC000755626084	574172495	/nfs/dbraw/zinc/17/24/95/574172495.db2.gz	XKFHTBJSQTWVLW-UHFFFAOYSA-N	-1	0	255.252	2.849	20	30		CFEDRM
C[C@@H](CC#N)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738892331	574189503	/nfs/dbraw/zinc/18/95/03/574189503.db2.gz	GLSNTZAWONDKNH-ZETCQYMHSA-N	-1	0	282.683	2.889	20	30		CFEDRM
Cc1noc(C)c1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738939543	574190859	/nfs/dbraw/zinc/19/08/59/574190859.db2.gz	DOFHTRZBBWDGCU-RFAUZJTJSA-N	-1	0	299.330	2.640	20	30		CFEDRM
Cc1oc(C=NNCCCc2ccccc2)cc1C(=O)[O-]	ZINC000738970076	574192029	/nfs/dbraw/zinc/19/20/29/574192029.db2.gz	RFNHJTLFOPTBAU-UHFFFAOYSA-N	-1	0	286.331	2.843	20	30		CFEDRM
COC[C@H](C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755871871	574193419	/nfs/dbraw/zinc/19/34/19/574193419.db2.gz	MTWSYBKZUVFOBG-MRVPVSSYSA-N	-1	0	270.716	2.718	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2ccc(CC(=O)[O-])cc2)c1	ZINC000755900680	574195349	/nfs/dbraw/zinc/19/53/49/574195349.db2.gz	OAUGDYZLWCQMTO-UHFFFAOYSA-N	-1	0	283.331	2.853	20	30		CFEDRM
Cc1ccnc(N=NCc2ccc(OCCC(=O)[O-])cc2)c1	ZINC000755901782	574195466	/nfs/dbraw/zinc/19/54/66/574195466.db2.gz	HOSFWKVGQJFQQN-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
N#CCOc1cccc(/C=C/c2ccc(C(=O)[O-])cn2)c1	ZINC000739089132	574197289	/nfs/dbraw/zinc/19/72/89/574197289.db2.gz	YVGKKRQCCCKAKM-GQCTYLIASA-N	-1	0	280.283	2.853	20	30		CFEDRM
N#Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC000739117038	574199190	/nfs/dbraw/zinc/19/91/90/574199190.db2.gz	HVFJZOBGOWVHDB-UHFFFAOYSA-N	-1	0	298.273	2.577	20	30		CFEDRM
N#Cc1ccc([C@@H](Sc2nccs2)C(=O)[O-])cc1	ZINC000739117585	574199292	/nfs/dbraw/zinc/19/92/92/574199292.db2.gz	MAWVXFSSTKOGSI-SNVBAGLBSA-N	-1	0	276.342	2.933	20	30		CFEDRM
N#Cc1cnc(N2Cc3ccc(C(=O)[O-])cc3C2)c(Cl)c1	ZINC000739141981	574199499	/nfs/dbraw/zinc/19/94/99/574199499.db2.gz	GQCHHWNXYZCGGO-UHFFFAOYSA-N	-1	0	299.717	2.825	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/C[C@@H](NC(=O)[O-])C(C)C)c1	ZINC000739504767	574215973	/nfs/dbraw/zinc/21/59/73/574215973.db2.gz	OKCXHXKARYTHTB-WJHGTXIHSA-N	-1	0	294.351	2.502	20	30		CFEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000756231901	574217450	/nfs/dbraw/zinc/21/74/50/574217450.db2.gz	PFMKAPCKTLQOHG-XHDPSFHLSA-N	-1	0	284.359	2.801	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2ccccc2F)c1	ZINC000748005535	574224330	/nfs/dbraw/zinc/22/43/30/574224330.db2.gz	SMQHJOCIBVZIKX-UHFFFAOYSA-N	-1	0	284.290	2.974	20	30		CFEDRM
O=C([O-])N1CCC[C@H](/N=C\c2cc(Cl)ccc2O)C1	ZINC000739924172	574229737	/nfs/dbraw/zinc/22/97/37/574229737.db2.gz	CPJUCOHTALPCPP-URXIRXLPSA-N	-1	0	282.727	2.607	20	30		CFEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCOC1	ZINC000741760426	574245217	/nfs/dbraw/zinc/24/52/17/574245217.db2.gz	YUXJBTNTLGYXTQ-SECBINFHSA-N	-1	0	282.727	2.863	20	30		CFEDRM
N#CCCCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000740306439	574246180	/nfs/dbraw/zinc/24/61/80/574246180.db2.gz	GWOIBCRKGJOCSH-UHFFFAOYSA-N	-1	0	282.683	2.890	20	30		CFEDRM
N#Cc1ccc(COc2cccc(CNC(=O)[O-])c2)cc1	ZINC000740315877	574246571	/nfs/dbraw/zinc/24/65/71/574246571.db2.gz	QKIXRODJYJBDDU-UHFFFAOYSA-N	-1	0	282.299	2.905	20	30		CFEDRM
N#CC1(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)CCC1	ZINC000740309723	574246702	/nfs/dbraw/zinc/24/67/02/574246702.db2.gz	MRGWYBKSMSPPCM-UHFFFAOYSA-N	-1	0	293.710	2.606	20	30		CFEDRM
N#Cc1nc(N[C@@H]2CCCCN(C(=O)[O-])C2)ccc1Cl	ZINC000740323852	574247048	/nfs/dbraw/zinc/24/70/48/574247048.db2.gz	KZTOAYNBDVBXOO-SECBINFHSA-N	-1	0	294.742	2.551	20	30		CFEDRM
CCc1ncc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000748412204	574251382	/nfs/dbraw/zinc/25/13/82/574251382.db2.gz	MFWABUUSGQMWLZ-UHFFFAOYSA-N	-1	0	273.317	2.535	20	30		CFEDRM
O=C([O-])N1CC[C@@H](/N=C/c2c(O)ccc3ccccc32)C1	ZINC000740505126	574252197	/nfs/dbraw/zinc/25/21/97/574252197.db2.gz	IOKQDGJAHQUUQH-UDPFGDFPSA-N	-1	0	284.315	2.717	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C/c1ccccc1O	ZINC000740631068	574259605	/nfs/dbraw/zinc/25/96/05/574259605.db2.gz	WTUZHCVOXNHSEE-VSYSVEPCSA-N	-1	0	276.336	2.638	20	30		CFEDRM
CCC(N=Nc1ncccn1)c1cc(C(=O)[O-])ccc1F	ZINC000756880456	574270777	/nfs/dbraw/zinc/27/07/77/574270777.db2.gz	MYHOKAHEOQVEFA-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
CCCCCCCCC(=O)N[C@@H]1CCN(C(=O)[O-])C1	ZINC000739330205	574287344	/nfs/dbraw/zinc/28/73/44/574287344.db2.gz	LXEOWHAFLIZVCW-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
Cc1nc(Cl)cc(NN=Cc2cc(F)c([O-])c(F)c2)n1	ZINC000749859766	574312966	/nfs/dbraw/zinc/31/29/66/574312966.db2.gz	UBEZTRYFTSPDLP-UHFFFAOYSA-N	-1	0	298.680	2.868	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C/c2nccs2)cs1	ZINC000735233041	574316139	/nfs/dbraw/zinc/31/61/39/574316139.db2.gz	YJIZYSVHTHHXKQ-OWOJBTEDSA-N	-1	0	265.315	2.799	20	30		CFEDRM
C=CCCCN(C)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000735412668	574322495	/nfs/dbraw/zinc/32/24/95/574322495.db2.gz	HSEPBNOGYBOIBZ-UHFFFAOYSA-N	-1	0	279.294	2.547	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(F)c1	ZINC000725857831	574333646	/nfs/dbraw/zinc/33/36/46/574333646.db2.gz	CLDAKBSMMLJGNA-UHFFFAOYSA-N	-1	0	299.330	2.707	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C[C@@H]1CC=CCC1	ZINC000725857646	574333748	/nfs/dbraw/zinc/33/37/48/574333748.db2.gz	AKGIBCWWUVDKSN-LLVKDONJSA-N	-1	0	285.372	2.875	20	30		CFEDRM
C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CNC(=O)[O-])CC1	ZINC000739055945	574335719	/nfs/dbraw/zinc/33/57/19/574335719.db2.gz	YNZSMWDJANBHQN-GFCCVEGCSA-N	-1	0	287.363	2.599	20	30		CFEDRM
CC(C)C[C@H](CNC(=O)[O-])Nc1cccc(F)c1C#N	ZINC000738812665	574338712	/nfs/dbraw/zinc/33/87/12/574338712.db2.gz	UPAQBBDGVQDAPW-SNVBAGLBSA-N	-1	0	279.315	2.792	20	30		CFEDRM
CCC(COC)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000735971341	574345136	/nfs/dbraw/zinc/34/51/36/574345136.db2.gz	ZOFZTRSTVNLQCV-UHFFFAOYSA-N	-1	0	270.716	2.863	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736094600	574350629	/nfs/dbraw/zinc/35/06/29/574350629.db2.gz	OUWSIBIUVRBUID-UHFFFAOYSA-N	-1	0	293.392	2.659	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736095094	574350765	/nfs/dbraw/zinc/35/07/65/574350765.db2.gz	IORJYWRTRHRJMV-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736097254	574351274	/nfs/dbraw/zinc/35/12/74/574351274.db2.gz	BMNHTMAUTZWANR-CYBMUJFWSA-N	-1	0	297.399	2.517	20	30		CFEDRM
C=CCOCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000736109647	574351329	/nfs/dbraw/zinc/35/13/29/574351329.db2.gz	UXOLLEAJPDERTG-UHFFFAOYSA-N	-1	0	285.299	2.679	20	30		CFEDRM
C=CCn1c(C)cc(C(=O)CSC[C@H](C)C(=O)[O-])c1C	ZINC000736118261	574351668	/nfs/dbraw/zinc/35/16/68/574351668.db2.gz	SPQCWBUVHFGSHD-JTQLQIEISA-N	-1	0	295.404	2.928	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CCOC2CCC2)c1[O-]	ZINC000743044924	574352530	/nfs/dbraw/zinc/35/25/30/574352530.db2.gz	UJZHHENCPCKSRZ-NVNXTCNLSA-N	-1	0	298.726	2.942	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccco3)nc1-2	ZINC000750724617	574352616	/nfs/dbraw/zinc/35/26/16/574352616.db2.gz	OCILSZQLOSJDBG-RXNFCKPNSA-N	-1	0	292.298	2.749	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736200999	574354256	/nfs/dbraw/zinc/35/42/56/574354256.db2.gz	FHRRPTDCAJHPFU-QMMMGPOBSA-N	-1	0	294.286	2.539	20	30		CFEDRM
CC(C)(C)CN(CCC#N)Cc1ccoc1C(=O)[O-]	ZINC000736261528	574358143	/nfs/dbraw/zinc/35/81/43/574358143.db2.gz	SETUNWWNVBMPHK-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000743417051	574363169	/nfs/dbraw/zinc/36/31/69/574363169.db2.gz	FLOVKUPOMVYUEZ-UHFFFAOYSA-N	-1	0	289.678	2.949	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000398198753	574363701	/nfs/dbraw/zinc/36/37/01/574363701.db2.gz	DPOJZYZTUYBFSM-CHWSQXEVSA-N	-1	0	282.384	2.770	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ncccc1Cl	ZINC000751130086	574369908	/nfs/dbraw/zinc/36/99/08/574369908.db2.gz	BZPUPVGWWXWRLM-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(Cl)nc1	ZINC000751132702	574369946	/nfs/dbraw/zinc/36/99/46/574369946.db2.gz	GQTHGTRXMWKEHI-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1cccc(C(=O)[O-])c1	ZINC000751516022	574378138	/nfs/dbraw/zinc/37/81/38/574378138.db2.gz	DMMXLESYPNQZKI-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
CO[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000753139408	574399196	/nfs/dbraw/zinc/39/91/96/574399196.db2.gz	UFYCZXQGHWSWKW-FCOKVBTJSA-N	-1	0	278.308	2.533	20	30		CFEDRM
C#CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000935404381	649905077	/nfs/dbraw/zinc/90/50/77/649905077.db2.gz	NTFGFCGLIIOGPA-UHFFFAOYSA-N	-1	0	284.142	2.937	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H](C)CC(=O)[O-]	ZINC000825682315	602157729	/nfs/dbraw/zinc/15/77/29/602157729.db2.gz	XCXGRNGKHRVAKB-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#CC1(C(=O)Nc2ccccc2CC(=O)[O-])CCCCC1	ZINC000819084662	597317387	/nfs/dbraw/zinc/31/73/87/597317387.db2.gz	YOEIBKGKYNADEI-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
CC[C@H](C)[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC000820425384	597393457	/nfs/dbraw/zinc/39/34/57/597393457.db2.gz	JPPJMADNKZQADY-CUTXFRRPSA-N	-1	0	286.331	2.859	20	30		CFEDRM
CCOc1ccc(/C=N/[C@H](C(=O)[O-])[C@@H](C)CC)c(O)c1	ZINC000820386957	597393532	/nfs/dbraw/zinc/39/35/32/597393532.db2.gz	DEENZFVWCLSCSQ-JTAOIJCTSA-N	-1	0	279.336	2.709	20	30		CFEDRM
CC[C@H](C)[C@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC000820425385	597393669	/nfs/dbraw/zinc/39/36/69/597393669.db2.gz	JPPJMADNKZQADY-PAXVXTLBSA-N	-1	0	286.331	2.859	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2ccsc21	ZINC000819857453	597603646	/nfs/dbraw/zinc/60/36/46/597603646.db2.gz	XKFFIDVAVIGEOO-CQSZACIVSA-N	-1	0	288.328	2.844	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc2ccccc2c1	ZINC000819873303	597620853	/nfs/dbraw/zinc/62/08/53/597620853.db2.gz	ABKRSLNVHXRITQ-QGZVFWFLSA-N	-1	0	297.310	2.888	20	30		CFEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1F	ZINC000820161855	597623379	/nfs/dbraw/zinc/62/33/79/597623379.db2.gz	SULFFQXUDLGXRL-RTHLEPHNSA-N	-1	0	297.257	2.574	20	30		CFEDRM
Cc1nnc(SCc2ccc(C(=O)[O-])cc2)c(C#N)c1C	ZINC000821225044	597682190	/nfs/dbraw/zinc/68/21/90/597682190.db2.gz	RSYZKFVPKVIHIW-UHFFFAOYSA-N	-1	0	299.355	2.956	20	30		CFEDRM
CC(=NNCCC(=O)[O-])c1sc(C(C)(C)C)nc1C	ZINC000819727017	597740911	/nfs/dbraw/zinc/74/09/11/597740911.db2.gz	YRBAGMRHHMBFTG-UHFFFAOYSA-N	-1	0	283.397	2.537	20	30		CFEDRM
O=C([O-])CCNN=Cc1sc2ccccc2c1Cl	ZINC000821524710	597741404	/nfs/dbraw/zinc/74/14/04/597741404.db2.gz	PUQUYOVWVRPJLP-UHFFFAOYSA-N	-1	0	282.752	2.953	20	30		CFEDRM
C[C@H](C=NNCCC(=O)[O-])c1cccc(Br)c1	ZINC000820072559	597741463	/nfs/dbraw/zinc/74/14/63/597741463.db2.gz	SZFUTAJPVBLXAO-SECBINFHSA-N	-1	0	299.168	2.603	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)s1	ZINC000042317499	620640752	/nfs/dbraw/zinc/64/07/52/620640752.db2.gz	CLIBSXSTKYBSLA-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
N#CCOc1cccc(NCc2cccc(C(=O)[O-])c2)c1	ZINC000821324856	598220778	/nfs/dbraw/zinc/22/07/78/598220778.db2.gz	SZHXBVJENJQGLX-UHFFFAOYSA-N	-1	0	282.299	2.899	20	30		CFEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1	ZINC000820114842	598222533	/nfs/dbraw/zinc/22/25/33/598222533.db2.gz	QXSUELCHXGZOIE-XPTSAGLGSA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1cc(C#N)ccc1OCc1cc(C(=O)[O-])co1	ZINC000738314430	599993747	/nfs/dbraw/zinc/99/37/47/599993747.db2.gz	ZZYNPLBXBGNPAE-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000100019077	600016241	/nfs/dbraw/zinc/01/62/41/600016241.db2.gz	UYLFFPIOTGMZOY-GFCCVEGCSA-N	-1	0	255.358	2.670	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000100019074	600021473	/nfs/dbraw/zinc/02/14/73/600021473.db2.gz	UYLFFPIOTGMZOY-LBPRGKRZSA-N	-1	0	255.358	2.670	20	30		CFEDRM
C=CC1CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1	ZINC000706491592	600239033	/nfs/dbraw/zinc/23/90/33/600239033.db2.gz	KHKRNEBWDYGYDL-UHFFFAOYSA-N	-1	0	272.757	2.897	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000163157951	600269785	/nfs/dbraw/zinc/26/97/85/600269785.db2.gz	JGNNKFNLGZRLAF-JTQLQIEISA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC000162351229	600398237	/nfs/dbraw/zinc/39/82/37/600398237.db2.gz	RVGPQNJYLKKROG-UHFFFAOYSA-N	-1	0	280.299	2.952	20	30		CFEDRM
C=CCN(Cc1cc(C)c(C(=O)[O-])o1)CC(F)(F)F	ZINC000688898109	600499719	/nfs/dbraw/zinc/49/97/19/600499719.db2.gz	VLRCXSYMAFKUPM-UHFFFAOYSA-N	-1	0	277.242	2.837	20	30		CFEDRM
COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000205491814	600590213	/nfs/dbraw/zinc/59/02/13/600590213.db2.gz	BBGGLZZAXFZJHB-HNNXBMFYSA-N	-1	0	282.299	2.805	20	30		CFEDRM
CC(C)CCN(CCC#N)Cc1ccoc1C(=O)[O-]	ZINC000826848910	601016986	/nfs/dbraw/zinc/01/69/86/601016986.db2.gz	LCAQYZYZLSTOMB-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000825671485	601127363	/nfs/dbraw/zinc/12/73/63/601127363.db2.gz	QMHMATQDOJGGJO-UHFFFAOYSA-N	-1	0	251.257	2.819	20	30		CFEDRM
C#CC[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C1CC1	ZINC000825600374	601143486	/nfs/dbraw/zinc/14/34/86/601143486.db2.gz	LRMVFWRQNPJDHV-ZDUSSCGKSA-N	-1	0	273.288	2.735	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])s1)C(C)C	ZINC000825600319	601194467	/nfs/dbraw/zinc/19/44/67/601194467.db2.gz	JKLXMNPSVWPBDZ-VIFPVBQESA-N	-1	0	266.318	2.651	20	30		CFEDRM
O=C([O-])Nc1cccc(NC(=O)C#Cc2ccccc2)c1	ZINC000833291778	601197669	/nfs/dbraw/zinc/19/76/69/601197669.db2.gz	SJDOPROMELHYRH-UHFFFAOYSA-N	-1	0	280.283	2.767	20	30		CFEDRM
O=C([O-])c1occc1/C=C1/Cc2ccc(F)cc2C1=O	ZINC000833354648	601201456	/nfs/dbraw/zinc/20/14/56/601201456.db2.gz	AQMOOCJJSPYXDZ-POHAHGRESA-N	-1	0	272.231	2.939	20	30		CFEDRM
COc1ccc2c(c1)O/C(=C\c1ccoc1C(=O)[O-])C2=O	ZINC000832500275	601222987	/nfs/dbraw/zinc/22/29/87/601222987.db2.gz	VTXSGHMWXLNXGF-SDQBBNPISA-N	-1	0	286.239	2.603	20	30		CFEDRM
C=C(C)CN(CC)C(=O)COc1ccccc1NC(=O)[O-]	ZINC000825642169	601228204	/nfs/dbraw/zinc/22/82/04/601228204.db2.gz	JCFKJCSMTBOCKH-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
N#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)s1	ZINC000833070673	601288584	/nfs/dbraw/zinc/28/85/84/601288584.db2.gz	QPBCCLWRZNINTQ-UHFFFAOYSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1C(=O)[O-]	ZINC000832944049	601288815	/nfs/dbraw/zinc/28/88/15/601288815.db2.gz	UAMWSPYGUJGXBZ-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])o1)C2	ZINC000832486921	601294303	/nfs/dbraw/zinc/29/43/03/601294303.db2.gz	DXIUKBIGGMUOSN-YFHOEESVSA-N	-1	0	284.267	2.809	20	30		CFEDRM
N#CCc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000833069456	601298664	/nfs/dbraw/zinc/29/86/64/601298664.db2.gz	ZDNYDMRTMSHIEC-INIZCTEOSA-N	-1	0	291.310	2.862	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c(F)c1	ZINC000832157768	601330693	/nfs/dbraw/zinc/33/06/93/601330693.db2.gz	VEFLULKUJFHEGH-CLTKARDFSA-N	-1	0	289.262	2.757	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3sccc3C2=O)[nH]1	ZINC000833311997	601331995	/nfs/dbraw/zinc/33/19/95/601331995.db2.gz	GYORCDJTRKKKLP-FPLPWBNLSA-N	-1	0	273.313	2.987	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)C2	ZINC000832487097	601332494	/nfs/dbraw/zinc/33/24/94/601332494.db2.gz	QNERLAAHQOYARG-JXMROGBWSA-N	-1	0	283.283	2.544	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CC23CCCC3)C(=O)[O-])cc1	ZINC000833071627	601341402	/nfs/dbraw/zinc/34/14/02/601341402.db2.gz	HWVZVXXOUADHMF-KBPBESRZSA-N	-1	0	299.326	2.807	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)c2cccc(F)c2)C(=O)[O-])c1	ZINC000833077476	601345528	/nfs/dbraw/zinc/34/55/28/601345528.db2.gz	UHHCJSGAKOXJKZ-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
CCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829210062	601349192	/nfs/dbraw/zinc/34/91/92/601349192.db2.gz	YHWJSQVJHAXYEG-MFKMUULPSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000825912940	601444224	/nfs/dbraw/zinc/44/42/24/601444224.db2.gz	HKMUORJHNMTFRI-SOFGYWHQSA-N	-1	0	298.298	2.567	20	30		CFEDRM
COc1ccc(C)cc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000832252283	601445585	/nfs/dbraw/zinc/44/55/85/601445585.db2.gz	KVVMGQYLPKDTIY-FNORWQNLSA-N	-1	0	285.299	2.926	20	30		CFEDRM
N#CCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000833067679	601445609	/nfs/dbraw/zinc/44/56/09/601445609.db2.gz	HQISTKIRZKRGMU-YWEYNIOJSA-N	-1	0	296.282	2.511	20	30		CFEDRM
O=C([O-])[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1	ZINC000833188815	601577311	/nfs/dbraw/zinc/57/73/11/601577311.db2.gz	MGRBGYHEBUFJHN-CQSZACIVSA-N	-1	0	277.751	2.631	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000827213240	601621073	/nfs/dbraw/zinc/62/10/73/601621073.db2.gz	LYUNYJQWZRIHPI-JTQLQIEISA-N	-1	0	290.323	2.567	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@](F)(C(=O)[O-])C1	ZINC000829357715	601653272	/nfs/dbraw/zinc/65/32/72/601653272.db2.gz	UYXHJJVDPVHLLD-CQSZACIVSA-N	-1	0	273.348	2.762	20	30		CFEDRM
Cc1nn(Cc2ccccc2C#N)c(C)c1[C@H](C)C(=O)[O-]	ZINC000833020992	601778766	/nfs/dbraw/zinc/77/87/66/601778766.db2.gz	DUKICCDOFKVHFL-JTQLQIEISA-N	-1	0	283.331	2.608	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)cc2)c[nH]1	ZINC000833092324	601791576	/nfs/dbraw/zinc/79/15/76/601791576.db2.gz	CPHAXMVRWPOTRO-BHQIHCQQSA-N	-1	0	259.236	2.748	20	30		CFEDRM
Cc1ccc2c(c1)C/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832961531	601793196	/nfs/dbraw/zinc/79/31/96/601793196.db2.gz	DVAJFSTZTVCDQC-XGICHPGQSA-N	-1	0	267.284	2.844	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\COc3ccc(F)cc3C2=O)c[nH]1	ZINC000833298076	601793437	/nfs/dbraw/zinc/79/34/37/601793437.db2.gz	MXHMIENIYPDOCO-YCRREMRBSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cc(F)c(F)c(F)c2)c[nH]1	ZINC000814863768	601798032	/nfs/dbraw/zinc/79/80/32/601798032.db2.gz	BLHNRWPBPNXFET-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccoc2C(=O)[O-])c1	ZINC000832953693	601826055	/nfs/dbraw/zinc/82/60/55/601826055.db2.gz	YTTNMGCLLTZJGC-HYXAFXHYSA-N	-1	0	272.256	2.888	20	30		CFEDRM
C[C@@H](CSCCCOc1cccc(C#N)c1)C(=O)[O-]	ZINC000827575095	601974625	/nfs/dbraw/zinc/97/46/25/601974625.db2.gz	KNAAYONWGCUVAR-NSHDSACASA-N	-1	0	279.361	2.781	20	30		CFEDRM
N#CC1(C(=O)OCc2ccc(C(=O)[O-])s2)CCCCC1	ZINC000833064470	602005753	/nfs/dbraw/zinc/00/57/53/602005753.db2.gz	JIRWATVNAJKRCC-UHFFFAOYSA-N	-1	0	293.344	2.964	20	30		CFEDRM
CCC(CC)NN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794908006	602074891	/nfs/dbraw/zinc/07/48/91/602074891.db2.gz	HEWZAOCUEJAESP-LLVKDONJSA-N	-1	0	278.352	2.651	20	30		CFEDRM
CC(C)(C#N)CCCSCc1noc(CCC(=O)[O-])n1	ZINC000826072562	602178753	/nfs/dbraw/zinc/17/87/53/602178753.db2.gz	WZMHGOUNLCWIHL-UHFFFAOYSA-N	-1	0	297.380	2.650	20	30		CFEDRM
N#Cc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833075314	602187292	/nfs/dbraw/zinc/18/72/92/602187292.db2.gz	QHKPYVSYJZATNG-AATRIKPKSA-N	-1	0	298.323	2.970	20	30		CFEDRM
C=CCC(CC=C)C(=O)Oc1ccccc1CC(=O)[O-]	ZINC000825665088	602193850	/nfs/dbraw/zinc/19/38/50/602193850.db2.gz	TYBXIBOUWYXQIF-UHFFFAOYSA-N	-1	0	274.316	2.988	20	30		CFEDRM
CC(C)CN(CCC(=O)[O-])c1ncc(C#N)cc1Cl	ZINC000826875526	602236906	/nfs/dbraw/zinc/23/69/06/602236906.db2.gz	AWNIFFDHXDJGCO-UHFFFAOYSA-N	-1	0	281.743	2.544	20	30		CFEDRM
C[C@@H](CSCc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000235131635	602289213	/nfs/dbraw/zinc/28/92/13/602289213.db2.gz	XIOZUOKOIMJSIC-QMMMGPOBSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1ccc(F)c(C#N)c1	ZINC000235426763	602289336	/nfs/dbraw/zinc/28/93/36/602289336.db2.gz	JAWQNZZCNXREPA-MRVPVSSYSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1cc(F)ccc1C#N	ZINC000090097414	602313037	/nfs/dbraw/zinc/31/30/37/602313037.db2.gz	JYAXVKYYMHHWBQ-MRVPVSSYSA-N	-1	0	253.298	2.794	20	30		CFEDRM
Cc1cc(C)c(C#N)c(N[C@H]2CCCCN(C(=O)[O-])C2)n1	ZINC000740064560	602814010	/nfs/dbraw/zinc/81/40/10/602814010.db2.gz	VJJYTDUBOCQAOC-LBPRGKRZSA-N	-1	0	288.351	2.515	20	30		CFEDRM
CN(C(=O)[O-])[C@H]1CCCN(c2c(Cl)cccc2C#N)C1	ZINC000827823706	603183904	/nfs/dbraw/zinc/18/39/04/603183904.db2.gz	XUZBNOREESQRMP-NSHDSACASA-N	-1	0	293.754	2.790	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738894200	603301288	/nfs/dbraw/zinc/30/12/88/603301288.db2.gz	QVPLLJBMBOZVTM-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NOCc2ccccc2)cn1	ZINC000832840058	603487934	/nfs/dbraw/zinc/48/79/34/603487934.db2.gz	DUPXVMCHBCJFHO-UHFFFAOYSA-N	-1	0	271.276	2.722	20	30		CFEDRM
O=C([O-])N1CCC(C=NNCc2cccc(Cl)c2)CC1	ZINC000831869054	603605340	/nfs/dbraw/zinc/60/53/40/603605340.db2.gz	HMKIZVCWBAFXDN-UHFFFAOYSA-N	-1	0	295.770	2.805	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000900337802	620660840	/nfs/dbraw/zinc/66/08/40/620660840.db2.gz	NVHPUTBMMUYYFV-LLVKDONJSA-N	-1	0	294.738	2.555	20	30		CFEDRM
N#Cc1ccccc1SC[C@@H]1CCN(C(=O)[O-])C1	ZINC000831156815	603632838	/nfs/dbraw/zinc/63/28/38/603632838.db2.gz	LORRPWDCVUTFJT-SNVBAGLBSA-N	-1	0	262.334	2.650	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(F)cc1C)C(=O)[O-]	ZINC000900322877	620661945	/nfs/dbraw/zinc/66/19/45/620661945.db2.gz	QWFWCRRDKDHQLQ-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
CCCCCCCC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1	ZINC000826821484	603713814	/nfs/dbraw/zinc/71/38/14/603713814.db2.gz	UVTASMSPZDJZSJ-LBPRGKRZSA-N	-1	0	270.373	2.558	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(F)cc1C)C(=O)[O-]	ZINC000900322878	620662120	/nfs/dbraw/zinc/66/21/20/620662120.db2.gz	QWFWCRRDKDHQLQ-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1cccc2ccccc21	ZINC000831092863	603729982	/nfs/dbraw/zinc/72/99/82/603729982.db2.gz	ZHOLIRIVQYBMQN-OAHLLOKOSA-N	-1	0	295.342	2.528	20	30		CFEDRM
C#Cc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1	ZINC000900355568	620663874	/nfs/dbraw/zinc/66/38/74/620663874.db2.gz	PUJMZZCMPSKKBD-AWEZNQCLSA-N	-1	0	286.331	2.529	20	30		CFEDRM
C=C(Br)CN(C)CC[C@@H](NC(=O)[O-])C(C)C	ZINC000823474030	603822201	/nfs/dbraw/zinc/82/22/01/603822201.db2.gz	LKQYIWJCNOVRSU-SNVBAGLBSA-N	-1	0	293.205	2.509	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(SC)ccc1C	ZINC000900344264	620665176	/nfs/dbraw/zinc/66/51/76/620665176.db2.gz	MMHYXRWVVSKUCK-UHFFFAOYSA-N	-1	0	294.376	2.821	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000900376368	620666534	/nfs/dbraw/zinc/66/65/34/620666534.db2.gz	QPFBBLDTENITJC-AWEZNQCLSA-N	-1	0	293.754	2.688	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2ncc(C#N)cc2Cl)C1	ZINC000900376410	620666541	/nfs/dbraw/zinc/66/65/41/620666541.db2.gz	RZWXGEGARVBDDA-AWEZNQCLSA-N	-1	0	293.754	2.688	20	30		CFEDRM
C[C@H](CCNc1nc2ccccc2cc1C#N)NC(=O)[O-]	ZINC000824802645	603950736	/nfs/dbraw/zinc/95/07/36/603950736.db2.gz	MXXKSNJPJAZXMU-SNVBAGLBSA-N	-1	0	284.319	2.565	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)[O-])nc1	ZINC000823491374	604048031	/nfs/dbraw/zinc/04/80/31/604048031.db2.gz	VIDMMGLHUQGCLL-UHFFFAOYSA-N	-1	0	275.308	2.878	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823491212	604066752	/nfs/dbraw/zinc/06/67/52/604066752.db2.gz	SIJUWIAQSABQCX-AGUYFDCRSA-N	-1	0	292.379	2.544	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-]	ZINC000823490527	604069252	/nfs/dbraw/zinc/06/92/52/604069252.db2.gz	FORUQCFGRUNDHZ-GXTWGEPZSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H](C)CN(C)C(=O)[O-]	ZINC000823506701	604077886	/nfs/dbraw/zinc/07/78/86/604077886.db2.gz	KNPKKQIUEGKWEY-LLVKDONJSA-N	-1	0	296.392	2.509	20	30		CFEDRM
C=C(C)COC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823480770	604225565	/nfs/dbraw/zinc/22/55/65/604225565.db2.gz	NTFBWMBXFJSXAG-YPMHNXCESA-N	-1	0	277.320	2.751	20	30		CFEDRM
C#CCCOC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823451170	604231633	/nfs/dbraw/zinc/23/16/33/604231633.db2.gz	OXQQBWDYCNGWAO-UHFFFAOYSA-N	-1	0	297.694	2.619	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000823490613	604249295	/nfs/dbraw/zinc/24/92/95/604249295.db2.gz	HPUFJNFWPOXKLA-JSGCOSHPSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000825660099	604268673	/nfs/dbraw/zinc/26/86/73/604268673.db2.gz	SNMSOCQOJZKXHS-UHFFFAOYSA-N	-1	0	277.295	2.562	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(C#N)c1	ZINC000830529059	604292919	/nfs/dbraw/zinc/29/29/19/604292919.db2.gz	ZCTLUGBTBAQJEF-UHFFFAOYSA-N	-1	0	298.273	2.672	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H]2CC(=O)[O-])c2ccccc2n1	ZINC000833069878	604468830	/nfs/dbraw/zinc/46/88/30/604468830.db2.gz	YIFCBALVRYJWEO-GFCCVEGCSA-N	-1	0	281.315	2.550	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1	ZINC000825659891	604485062	/nfs/dbraw/zinc/48/50/62/604485062.db2.gz	KFPUCNISBJNSJO-UHFFFAOYSA-N	-1	0	280.349	2.876	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)OCC	ZINC000833366912	604541993	/nfs/dbraw/zinc/54/19/93/604541993.db2.gz	FTVAAGBJGQRPJV-ZDUSSCGKSA-N	-1	0	297.395	2.652	20	30		CFEDRM
CC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCCC1	ZINC000833555477	604580565	/nfs/dbraw/zinc/58/05/65/604580565.db2.gz	WUAXCNZWQZUYHZ-UHFFFAOYSA-N	-1	0	287.315	2.880	20	30		CFEDRM
C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccco1	ZINC000833408590	604582227	/nfs/dbraw/zinc/58/22/27/604582227.db2.gz	DNPBTDKNMLKPON-JTQLQIEISA-N	-1	0	299.282	2.696	20	30		CFEDRM
C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccco1	ZINC000833408591	604582350	/nfs/dbraw/zinc/58/23/50/604582350.db2.gz	DNPBTDKNMLKPON-SNVBAGLBSA-N	-1	0	299.282	2.696	20	30		CFEDRM
C=CCCCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833373341	604583960	/nfs/dbraw/zinc/58/39/60/604583960.db2.gz	LNUSBHIONALQJY-UHFFFAOYSA-N	-1	0	273.288	2.656	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)OCC	ZINC000833368946	604597564	/nfs/dbraw/zinc/59/75/64/604597564.db2.gz	YBBQTYMBPMDHGF-GXFFZTMASA-N	-1	0	296.319	2.953	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1ccc(C(=O)[O-])s1)OCC	ZINC000833368941	604597589	/nfs/dbraw/zinc/59/75/89/604597589.db2.gz	YAEPNUUAGDFRGR-NSHDSACASA-N	-1	0	298.360	2.861	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833370622	604599021	/nfs/dbraw/zinc/59/90/21/604599021.db2.gz	FMLQCUIVPIYRAR-JTQLQIEISA-N	-1	0	294.376	2.949	20	30		CFEDRM
C=C(C)CN(CC)c1nc(Cl)c(C(=O)[O-])s1	ZINC000087768148	604628499	/nfs/dbraw/zinc/62/84/99/604628499.db2.gz	CPHFZXRPSSPANK-UHFFFAOYSA-N	-1	0	260.746	2.897	20	30		CFEDRM
N#CCCN(Cc1ccccn1)Cc1ccccc1C(=O)[O-]	ZINC000833759940	604634567	/nfs/dbraw/zinc/63/45/67/604634567.db2.gz	AJGLZCNJFINTDY-UHFFFAOYSA-N	-1	0	295.342	2.696	20	30		CFEDRM
CN(Cc1cc(C#N)cs1)[C@H](C(=O)[O-])c1ccccc1	ZINC000833694865	604645579	/nfs/dbraw/zinc/64/55/79/604645579.db2.gz	TYUWHMJZYMLYAV-AWEZNQCLSA-N	-1	0	286.356	2.877	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763367135	604666174	/nfs/dbraw/zinc/66/61/74/604666174.db2.gz	AECFMWOWUZOTKX-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
C[C@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763369599	604668408	/nfs/dbraw/zinc/66/84/08/604668408.db2.gz	VQKVZSMXHDHMAP-LLVKDONJSA-N	-1	0	269.304	2.981	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C	ZINC000832868614	604696037	/nfs/dbraw/zinc/69/60/37/604696037.db2.gz	QARIDYNCQHGWED-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(C(=O)[O-])o1	ZINC000833532729	604721371	/nfs/dbraw/zinc/72/13/71/604721371.db2.gz	SIYGRBNYJPPPBZ-JTQLQIEISA-N	-1	0	299.282	2.962	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(Cl)c1	ZINC000042344055	620677053	/nfs/dbraw/zinc/67/70/53/620677053.db2.gz	DVJKWCWQFURDHW-UHFFFAOYSA-N	-1	0	275.757	2.775	20	30		CFEDRM
O=C([O-])c1ccc(OCC#Cc2ccc(F)cc2)cc1	ZINC000833321769	604798385	/nfs/dbraw/zinc/79/83/85/604798385.db2.gz	MIKCLLHAQGVMGS-UHFFFAOYSA-N	-1	0	270.259	2.954	20	30		CFEDRM
C=CCN(C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1)C(C)C	ZINC000823500828	604831427	/nfs/dbraw/zinc/83/14/27/604831427.db2.gz	MDCMRBDWCWDIEW-CYBMUJFWSA-N	-1	0	296.411	2.826	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)OCC	ZINC000833367959	604866589	/nfs/dbraw/zinc/86/65/89/604866589.db2.gz	YOUWSMKSYPKQAZ-ZDUSSCGKSA-N	-1	0	297.395	2.604	20	30		CFEDRM
CCCCCCCOC(=O)c1cnccc1C(=O)[O-]	ZINC000829357338	604871865	/nfs/dbraw/zinc/87/18/65/604871865.db2.gz	NMLXFPZFKGSLAW-UHFFFAOYSA-N	-1	0	265.309	2.907	20	30		CFEDRM
Cc1ccc(C#N)c(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1	ZINC000134985773	604872003	/nfs/dbraw/zinc/87/20/03/604872003.db2.gz	WUKSJLYBOPHVES-CYBMUJFWSA-N	-1	0	287.363	2.589	20	30		CFEDRM
CC1=C(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1	ZINC000833578359	604880640	/nfs/dbraw/zinc/88/06/40/604880640.db2.gz	GVNVPAMAFPBIHT-CQSZACIVSA-N	-1	0	285.299	2.728	20	30		CFEDRM
C#CCNc1cc(Br)cc(C(=O)[O-])c1Cl	ZINC000833364488	604925310	/nfs/dbraw/zinc/92/53/10/604925310.db2.gz	SDYSUTWMHSJPAK-UHFFFAOYSA-N	-1	0	288.528	2.846	20	30		CFEDRM
C=C(Cl)CN(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000833370147	604959569	/nfs/dbraw/zinc/95/95/69/604959569.db2.gz	LGGCTHWYZQSYBB-LLVKDONJSA-N	-1	0	293.672	2.914	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833362989	605014564	/nfs/dbraw/zinc/01/45/64/605014564.db2.gz	VGAOHGRMJHRGEI-ZIAGYGMSSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NOCc1ccccc1	ZINC000833407110	605039015	/nfs/dbraw/zinc/03/90/15/605039015.db2.gz	RBUVRTUUWRTSHD-LBPRGKRZSA-N	-1	0	272.304	2.684	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNCCCc1ccccc1	ZINC000833405000	605039846	/nfs/dbraw/zinc/03/98/46/605039846.db2.gz	ARYMRCQNIVTCIR-AWEZNQCLSA-N	-1	0	299.374	2.690	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccc1O	ZINC000812443754	605099052	/nfs/dbraw/zinc/09/90/52/605099052.db2.gz	XNNCOHXMWXTHJW-UHFFFAOYSA-N	-1	0	270.288	2.927	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnc(C)s1	ZINC000761256561	605099923	/nfs/dbraw/zinc/09/99/23/605099923.db2.gz	WSVVQDALOGRDNF-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cnc2ccccc2n1	ZINC000812445977	605100931	/nfs/dbraw/zinc/10/09/31/605100931.db2.gz	IMLJHOPKLYYEJG-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)C#N	ZINC000833528903	605161798	/nfs/dbraw/zinc/16/17/98/605161798.db2.gz	MLFLPJUQCNTEOO-LLVKDONJSA-N	-1	0	289.331	2.799	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C#N	ZINC000833530195	605163547	/nfs/dbraw/zinc/16/35/47/605163547.db2.gz	BMDOYLYZFQPYMF-MRVPVSSYSA-N	-1	0	279.267	2.619	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000833607021	605164088	/nfs/dbraw/zinc/16/40/88/605164088.db2.gz	YAQOISRNZICVAU-LERXQTSPSA-N	-1	0	287.315	2.663	20	30		CFEDRM
COc1cc(NCc2ccc(C#N)o2)ccc1NC(=O)[O-]	ZINC000829197158	605244665	/nfs/dbraw/zinc/24/46/65/605244665.db2.gz	FERPFZOFPFBMNC-UHFFFAOYSA-N	-1	0	287.275	2.862	20	30		CFEDRM
C=CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccncc1	ZINC000833371163	605261324	/nfs/dbraw/zinc/26/13/24/605261324.db2.gz	PNWYOJISUPGNFR-ZDUSSCGKSA-N	-1	0	290.363	2.706	20	30		CFEDRM
C=CCCCN(C)C(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823496841	605351749	/nfs/dbraw/zinc/35/17/49/605351749.db2.gz	QBWGDDNHLCKIOY-UHFFFAOYSA-N	-1	0	276.336	2.596	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000135305658	605393225	/nfs/dbraw/zinc/39/32/25/605393225.db2.gz	NGQBBWFMASCXDW-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@](C)(C#N)C1	ZINC000833547463	605419156	/nfs/dbraw/zinc/41/91/56/605419156.db2.gz	STDBMNYALXAOCK-HZMBPMFUSA-N	-1	0	262.309	2.664	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1	ZINC000833550808	605419159	/nfs/dbraw/zinc/41/91/59/605419159.db2.gz	DMYIAHZLOQPBDS-HNNXBMFYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@](C)(C#N)C1	ZINC000833547468	605419628	/nfs/dbraw/zinc/41/96/28/605419628.db2.gz	STDBMNYALXAOCK-YGRLFVJLSA-N	-1	0	262.309	2.664	20	30		CFEDRM
C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2F)C1	ZINC000833551227	605419704	/nfs/dbraw/zinc/41/97/04/605419704.db2.gz	JWMPSHPMCCNLBW-HIFRSBDPSA-N	-1	0	276.311	2.577	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C)CC#N)ccc1NC(=O)[O-]	ZINC000829971385	605421166	/nfs/dbraw/zinc/42/11/66/605421166.db2.gz	LFYNCRXMBVBBJR-VIFPVBQESA-N	-1	0	262.265	2.544	20	30		CFEDRM
Cc1cc(C(=O)OC2(C#N)CCC2)ccc1NC(=O)[O-]	ZINC000829971722	605424328	/nfs/dbraw/zinc/42/43/28/605424328.db2.gz	QIUUYUIWSAGPAY-UHFFFAOYSA-N	-1	0	274.276	2.688	20	30		CFEDRM
O=C([O-])NCCCN=Nc1ccnc2cc(Cl)ccc12	ZINC000832605206	605459488	/nfs/dbraw/zinc/45/94/88/605459488.db2.gz	LTIASTUBQJHXLZ-UHFFFAOYSA-N	-1	0	292.726	2.944	20	30		CFEDRM
C#CCC(C)(C)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833360864	605521116	/nfs/dbraw/zinc/52/11/16/605521116.db2.gz	PZYXZMPCOLSGOM-UHFFFAOYSA-N	-1	0	275.304	2.983	20	30		CFEDRM
C#CCCCCCC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000833361731	605580260	/nfs/dbraw/zinc/58/02/60/605580260.db2.gz	JKYOSRIYBXYZGQ-UHFFFAOYSA-N	-1	0	287.359	2.627	20	30		CFEDRM
CC(N=Nc1ccncc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814899683	605584300	/nfs/dbraw/zinc/58/43/00/605584300.db2.gz	IDPHXWRMBPMOCA-NSHDSACASA-N	-1	0	263.341	2.572	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833361751	605604471	/nfs/dbraw/zinc/60/44/71/605604471.db2.gz	JYWRXRSVSXOJEK-UHFFFAOYSA-N	-1	0	288.347	2.976	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000819700919	605619128	/nfs/dbraw/zinc/61/91/28/605619128.db2.gz	PUZOAUFWLKCTNA-UHFFFAOYSA-N	-1	0	273.332	2.836	20	30		CFEDRM
C#CCCCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000833361873	605619177	/nfs/dbraw/zinc/61/91/77/605619177.db2.gz	QGGBAWGHGNOMKR-QGZVFWFLSA-N	-1	0	299.370	2.781	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833361721	605625426	/nfs/dbraw/zinc/62/54/26/605625426.db2.gz	JDARTSFKJCFJOI-UHFFFAOYSA-N	-1	0	265.334	2.969	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1N=Nc1ccccn1	ZINC000834103876	605723675	/nfs/dbraw/zinc/72/36/75/605723675.db2.gz	IJNLIDBZEALHJM-DGCLKSJQSA-N	-1	0	288.351	2.792	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)CCCC(=O)[O-]	ZINC000833376296	605761788	/nfs/dbraw/zinc/76/17/88/605761788.db2.gz	RMKDNLDEXPBBEY-UHFFFAOYSA-N	-1	0	279.311	2.595	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1ccc(C(=O)[O-])cc1	ZINC000781128415	605783574	/nfs/dbraw/zinc/78/35/74/605783574.db2.gz	WHQJWEAFVILUFF-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823485905	605810871	/nfs/dbraw/zinc/81/08/71/605810871.db2.gz	LQJPRACRGPQHAU-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
N#Cc1ccc(SCCNC(=O)[O-])cc1C(F)(F)F	ZINC000833977770	605941507	/nfs/dbraw/zinc/94/15/07/605941507.db2.gz	XYVOKUWBXAEPFK-UHFFFAOYSA-N	-1	0	290.266	2.937	20	30		CFEDRM
N#CCC[C@H](C#N)COc1cccc2c1N(C(=O)[O-])CCC2	ZINC000833968489	606037678	/nfs/dbraw/zinc/03/76/78/606037678.db2.gz	LDUFNHVTGCSKOI-GFCCVEGCSA-N	-1	0	299.330	2.940	20	30		CFEDRM
N#CCC[C@H](C#N)COc1ccc(NC(=O)[O-])cc1	ZINC000833967970	606037909	/nfs/dbraw/zinc/03/79/09/606037909.db2.gz	IPWCZXJAQLUJOP-SNVBAGLBSA-N	-1	0	259.265	2.599	20	30		CFEDRM
N#Cc1ccc([C@@H](O)COc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833973910	606038069	/nfs/dbraw/zinc/03/80/69/606038069.db2.gz	SAXUFZXFXRZQHV-HNNXBMFYSA-N	-1	0	298.298	2.761	20	30		CFEDRM
C=CCN(CC=C)C(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833788265	606040112	/nfs/dbraw/zinc/04/01/12/606040112.db2.gz	SHAMSIGHAMZVIS-UHFFFAOYSA-N	-1	0	274.320	2.520	20	30		CFEDRM
O=C([O-])NC1(CN=Cc2cc3ccccc3[nH]c2=O)CCC1	ZINC000834153457	606071702	/nfs/dbraw/zinc/07/17/02/606071702.db2.gz	ARFAEWNAQWZWCJ-MFOYZWKCSA-N	-1	0	299.330	2.550	20	30		CFEDRM
O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1[O-]	ZINC000255085081	617954507	/nfs/dbraw/zinc/95/45/07/617954507.db2.gz	GZUMWYHSYWXMIY-XQRVVYSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=C[C@@H]1CCCCN1c1nc(C)c(C(=O)[O-])s1	ZINC000900950025	620731398	/nfs/dbraw/zinc/73/13/98/620731398.db2.gz	ALLOJCZSZHZCOG-SECBINFHSA-N	-1	0	252.339	2.695	20	30		CFEDRM
Cc1nc(NCC(C)(C)CC#N)sc1C(=O)[O-]	ZINC000900951151	620731832	/nfs/dbraw/zinc/73/18/32/620731832.db2.gz	UMRITYGDJYMANM-UHFFFAOYSA-N	-1	0	253.327	2.502	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000255206434	618096703	/nfs/dbraw/zinc/09/67/03/618096703.db2.gz	YZCJKEUJUNZJPH-XQRVVYSFSA-N	-1	0	260.268	2.644	20	30		CFEDRM
Cc1cccc(C2(C(=O)[N-]S(=O)(=O)C(C)C)CC2)c1	ZINC000049417601	617604097	/nfs/dbraw/zinc/60/40/97/617604097.db2.gz	GTFPOBNSTBVCQJ-UHFFFAOYSA-N	-1	0	281.377	2.721	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCSc1ccccc1	ZINC000049417414	617604170	/nfs/dbraw/zinc/60/41/70/617604170.db2.gz	XTRWNCXKASWGSV-UHFFFAOYSA-N	-1	0	287.406	2.864	20	30		CFEDRM
Cc1ccc(CCCCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000049501142	617606591	/nfs/dbraw/zinc/60/65/91/617606591.db2.gz	WNYHECSMCDYFCZ-UHFFFAOYSA-N	-1	0	269.366	2.624	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501609	617607093	/nfs/dbraw/zinc/60/70/93/617607093.db2.gz	VBYQPVMYLMVSAZ-HZMBPMFUSA-N	-1	0	291.372	2.916	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000049515060	617608169	/nfs/dbraw/zinc/60/81/69/617608169.db2.gz	CRILWPFPYUUNJQ-UHFFFAOYSA-N	-1	0	290.772	2.712	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000890553651	617644654	/nfs/dbraw/zinc/64/46/54/617644654.db2.gz	XSWXHPSLAXYNPD-JTQLQIEISA-N	-1	0	274.345	2.907	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1ccc([O-])c(Cl)c1	ZINC000890562239	617654846	/nfs/dbraw/zinc/65/48/46/617654846.db2.gz	USZNCVTXAJMPNM-JTQLQIEISA-N	-1	0	251.713	2.836	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1cc(OC)ccc1O	ZINC000254950141	617695288	/nfs/dbraw/zinc/69/52/88/617695288.db2.gz	NQDMQCNCTYCDEF-XQRVVYSFSA-N	-1	0	272.304	2.513	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cnn3ccccc23)c([O-])c1	ZINC000255027896	617759275	/nfs/dbraw/zinc/75/92/75/617759275.db2.gz	CZMBLLSVTBUAFI-YVMONPNESA-N	-1	0	294.310	2.945	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1	ZINC000121583541	617769330	/nfs/dbraw/zinc/76/93/30/617769330.db2.gz	AITDMPQBRQZXHF-SNVBAGLBSA-N	-1	0	292.404	2.893	20	30		CFEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cc(O)cc(O)c1	ZINC000255034947	617770678	/nfs/dbraw/zinc/77/06/78/617770678.db2.gz	OJRXOPUMXGZZBM-UPHRSURJSA-N	-1	0	292.237	2.978	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cnn(C3CCC3)c2)c1	ZINC000901122774	620753584	/nfs/dbraw/zinc/75/35/84/620753584.db2.gz	GRMOKIBGSCOSMT-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cnn(CC3CCC3)c2)c1	ZINC000901123607	620753726	/nfs/dbraw/zinc/75/37/26/620753726.db2.gz	PRXWHFXCAJFDNU-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(Cl)c1O	ZINC000890762519	617842220	/nfs/dbraw/zinc/84/22/20/617842220.db2.gz	FYRKQXZBFLYRDA-FZMZJTMJSA-N	-1	0	295.766	2.643	20	30		CFEDRM
Cc1ccc(C=NOCC(F)(F)F)cc1C(=O)[O-]	ZINC000901207678	620764971	/nfs/dbraw/zinc/76/49/71/620764971.db2.gz	MXKLPEISHOXKBD-UHFFFAOYSA-N	-1	0	261.199	2.606	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494281	617977622	/nfs/dbraw/zinc/97/76/22/617977622.db2.gz	ZDOLDFRRZKGZEX-UHFFFAOYSA-N	-1	0	261.730	2.641	20	30		CFEDRM
CC[C@@H](C)NN=Cc1cc(C(=O)[O-])ccc1Br	ZINC000901232549	620768573	/nfs/dbraw/zinc/76/85/73/620768573.db2.gz	AZRPNCVRENCSOO-MRVPVSSYSA-N	-1	0	299.168	2.869	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCC(C)C)c1	ZINC000045098326	618040630	/nfs/dbraw/zinc/04/06/30/618040630.db2.gz	ISPMCDGCPSNEHY-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NN[C@@H]1CCCOC1	ZINC000780261181	618071053	/nfs/dbraw/zinc/07/10/53/618071053.db2.gz	LNFGGJGWAYCFAP-SNVBAGLBSA-N	-1	0	289.162	2.802	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000049003917	618077731	/nfs/dbraw/zinc/07/77/31/618077731.db2.gz	GNFSFQFARDEODS-ZDUSSCGKSA-N	-1	0	299.392	2.764	20	30		CFEDRM
CSCc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417776	618080960	/nfs/dbraw/zinc/08/09/60/618080960.db2.gz	HXBAGLTXNRIJLS-UHFFFAOYSA-N	-1	0	287.406	2.592	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CCCO2)c1[O-]	ZINC000255519969	618085028	/nfs/dbraw/zinc/08/50/28/618085028.db2.gz	ZDFSXVYFABMZSE-WBERELSBSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1nc(C(C)(C)C)cs1	ZINC000092467493	618180944	/nfs/dbraw/zinc/18/09/44/618180944.db2.gz	LLZIQJOKACDASY-UHFFFAOYSA-N	-1	0	297.380	2.545	20	30		CFEDRM
COC(=O)[C@@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000255305706	618184645	/nfs/dbraw/zinc/18/46/45/618184645.db2.gz	BNFZTKJOSZTKDG-SPVAGPGUSA-N	-1	0	276.119	2.679	20	30		CFEDRM
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000255320536	618196800	/nfs/dbraw/zinc/19/68/00/618196800.db2.gz	OOJSSEDJBRVSED-WTKPLQERSA-N	-1	0	297.310	2.952	20	30		CFEDRM
Cc1ccccc1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176821387	618205719	/nfs/dbraw/zinc/20/57/19/618205719.db2.gz	DKQIETVYABKHNE-UHFFFAOYSA-N	-1	0	266.300	2.754	20	30		CFEDRM
COc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1OC	ZINC000176819801	618205814	/nfs/dbraw/zinc/20/58/14/618205814.db2.gz	GDMJWEIPZMLARA-UHFFFAOYSA-N	-1	0	298.298	2.533	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909427809	618251764	/nfs/dbraw/zinc/25/17/64/618251764.db2.gz	YIUHDJFZLGZGBJ-CQSZACIVSA-N	-1	0	287.359	2.799	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccs2)c1	ZINC000255776570	618298912	/nfs/dbraw/zinc/29/89/12/618298912.db2.gz	WBTOTVOPBIRCCQ-QPEQYQDCSA-N	-1	0	262.290	2.981	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](C)CCC(=O)[O-]	ZINC000909447987	618319508	/nfs/dbraw/zinc/31/95/08/618319508.db2.gz	HISRLCGYGMPVBG-NSHDSACASA-N	-1	0	293.388	2.948	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000794402313	618342444	/nfs/dbraw/zinc/34/24/44/618342444.db2.gz	VEJHNVBRPDDEJR-FSPLSTOPSA-N	-1	0	273.745	2.579	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(Cl)cc1Cl	ZINC000092462379	618344327	/nfs/dbraw/zinc/34/43/27/618344327.db2.gz	WISLLZXNFQGCBN-UHFFFAOYSA-N	-1	0	288.130	2.706	20	30		CFEDRM
[O-]c1c(F)cc(C=NNCCC(F)(F)F)cc1F	ZINC000794547194	618412473	/nfs/dbraw/zinc/41/24/73/618412473.db2.gz	FWCGRDKMMZGFGX-UHFFFAOYSA-N	-1	0	268.185	2.546	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909494643	618422043	/nfs/dbraw/zinc/42/20/43/618422043.db2.gz	DBTHPWZPMSSIQP-WBMJQRKESA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccc(C)cc1	ZINC000856028192	618422875	/nfs/dbraw/zinc/42/28/75/618422875.db2.gz	CYSGYQMBUURAAK-UHFFFAOYSA-N	-1	0	251.351	2.711	20	30		CFEDRM
CCc1oc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C	ZINC000162620901	618427961	/nfs/dbraw/zinc/42/79/61/618427961.db2.gz	NTOQUATXZAPNJZ-GFCCVEGCSA-N	-1	0	288.347	2.532	20	30		CFEDRM
CCOc1cc(C=NNc2cncnc2)cc(Cl)c1O	ZINC000794976125	618499583	/nfs/dbraw/zinc/49/95/83/618499583.db2.gz	FAMMFXMUSAMEBZ-UHFFFAOYSA-N	-1	0	292.726	2.680	20	30		CFEDRM
CCCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000901418055	620812886	/nfs/dbraw/zinc/81/28/86/620812886.db2.gz	XZDRTVVNHUZMRM-IBSYWUHOSA-N	-1	0	298.338	2.867	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000901451343	620817216	/nfs/dbraw/zinc/81/72/16/620817216.db2.gz	SFHVREFHAXLHSE-DFBGVHRSSA-N	-1	0	257.333	2.969	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000255893015	618637968	/nfs/dbraw/zinc/63/79/68/618637968.db2.gz	CFRHDGPBBVLZDW-PLNGDYQASA-N	-1	0	292.285	2.917	20	30		CFEDRM
N#Cc1ccc2ncc(/C=C\C(=O)c3ccccc3[O-])n2c1	ZINC000255911395	618661115	/nfs/dbraw/zinc/66/11/15/618661115.db2.gz	NSTDPPPMCNRWIB-SREVYHEPSA-N	-1	0	289.294	2.808	20	30		CFEDRM
COc1cc(C=NNCCC(C)(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000782907641	618663902	/nfs/dbraw/zinc/66/39/02/618663902.db2.gz	LOSJVLYVCHRQSR-UHFFFAOYSA-N	-1	0	295.339	2.669	20	30		CFEDRM
C=CCCC[C@@H](C(=O)[N-]S(=O)(=O)CC)c1ccccc1	ZINC000892685292	618708235	/nfs/dbraw/zinc/70/82/35/618708235.db2.gz	YGEASQCOPSZUDW-CQSZACIVSA-N	-1	0	295.404	2.592	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ncccn2)n1	ZINC000892802477	618749555	/nfs/dbraw/zinc/74/95/55/618749555.db2.gz	NGPNEPOFHLFPIP-VIFPVBQESA-N	-1	0	272.333	2.547	20	30		CFEDRM
N#Cc1sc(N2CCC[C@H](CCC(=O)[O-])C2)nc1Cl	ZINC000312004208	618853743	/nfs/dbraw/zinc/85/37/43/618853743.db2.gz	SCWFVQPMNMXNMB-MRVPVSSYSA-N	-1	0	299.783	2.749	20	30		CFEDRM
O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)c1ccccc1[O-]	ZINC000195306549	618949981	/nfs/dbraw/zinc/94/99/81/618949981.db2.gz	CDNSYVHNHRKCMZ-FNORWQNLSA-N	-1	0	295.294	2.619	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)C1(Cc2ccccc2)CC1	ZINC000092702317	619079706	/nfs/dbraw/zinc/07/97/06/619079706.db2.gz	PNFWWUFJPTVKRT-UHFFFAOYSA-N	-1	0	281.377	2.706	20	30		CFEDRM
COCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881329	619124795	/nfs/dbraw/zinc/12/47/95/619124795.db2.gz	IXZMTOFJAIHPGW-LBPRGKRZSA-N	-1	0	299.392	2.851	20	30		CFEDRM
Cc1nccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)n1	ZINC000814689995	619255100	/nfs/dbraw/zinc/25/51/00/619255100.db2.gz	PHVBWFOTDVINRJ-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
N#C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000928218217	619323369	/nfs/dbraw/zinc/32/33/69/619323369.db2.gz	ZCWSRPCDTVOPDS-SECBINFHSA-N	-1	0	298.264	2.787	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)c(C)o1	ZINC000048505766	619346218	/nfs/dbraw/zinc/34/62/18/619346218.db2.gz	UHDVMWPEWJTOID-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)c1	ZINC000048505746	619346428	/nfs/dbraw/zinc/34/64/28/619346428.db2.gz	NWXJEVFOVOTVJQ-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518814	619348828	/nfs/dbraw/zinc/34/88/28/619348828.db2.gz	IBVMLPMZDPEHPP-UHFFFAOYSA-N	-1	0	273.329	2.802	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518931	619348997	/nfs/dbraw/zinc/34/89/97/619348997.db2.gz	GPMYOOSFOGWJSI-YUMQZZPRSA-N	-1	0	273.741	2.641	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518930	619349148	/nfs/dbraw/zinc/34/91/48/619349148.db2.gz	GPMYOOSFOGWJSI-SFYZADRCSA-N	-1	0	273.741	2.641	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1ccccc1F	ZINC000048519099	619349600	/nfs/dbraw/zinc/34/96/00/619349600.db2.gz	VGAYSEMVFNCFTH-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
CC[C@@H](NN=Cc1cscc1C(F)(F)F)C(=O)[O-]	ZINC000793055688	619505380	/nfs/dbraw/zinc/50/53/80/619505380.db2.gz	OELDTQVXOLCNFJ-MRVPVSSYSA-N	-1	0	280.271	2.554	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000793057238	619506284	/nfs/dbraw/zinc/50/62/84/619506284.db2.gz	MZFHVIRHYHFKIS-GFCCVEGCSA-N	-1	0	266.316	2.619	20	30		CFEDRM
COC(=O)c1ccc(O)c(C=NN[C@H](C)C(C)(C)C)c1	ZINC000793114399	619509918	/nfs/dbraw/zinc/50/99/18/619509918.db2.gz	LTCCYRSUBVAVEN-SNVBAGLBSA-N	-1	0	278.352	2.537	20	30		CFEDRM
CC[C@H](C)CON=Cc1cccc(OCC(=O)[O-])c1	ZINC000793147058	619521539	/nfs/dbraw/zinc/52/15/39/619521539.db2.gz	YDPCCFPXZNMWRY-NSHDSACASA-N	-1	0	265.309	2.547	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1	ZINC000049447202	619533324	/nfs/dbraw/zinc/53/33/24/619533324.db2.gz	NIBRQMAJUNAIRM-UHFFFAOYSA-N	-1	0	273.238	2.904	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000049135118	619535309	/nfs/dbraw/zinc/53/53/09/619535309.db2.gz	BJUKNRPOJRIMTG-JTQLQIEISA-N	-1	0	292.360	2.640	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)COC(C)C)cc1	ZINC000049135166	619535375	/nfs/dbraw/zinc/53/53/75/619535375.db2.gz	WXMOKHMRIGGATL-UHFFFAOYSA-N	-1	0	299.392	2.709	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)C1CC1	ZINC000049135232	619535593	/nfs/dbraw/zinc/53/55/93/619535593.db2.gz	XEPFAXJUMJQSDW-NSHDSACASA-N	-1	0	281.377	2.909	20	30		CFEDRM
C=C(C)C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCC	ZINC000895591949	619565358	/nfs/dbraw/zinc/56/53/58/619565358.db2.gz	IVAGJECUGZRWHY-CYBMUJFWSA-N	-1	0	299.317	2.658	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/C[C@@H]2CCCCC2(F)F)c1O	ZINC000840707404	619866009	/nfs/dbraw/zinc/86/60/09/619866009.db2.gz	OYQGRYJEECIXAD-MEBUONCMSA-N	-1	0	298.333	2.832	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cccc(OC)c1	ZINC000869282518	619893688	/nfs/dbraw/zinc/89/36/88/619893688.db2.gz	MLNQYAMGEIBHPW-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
CO[C@@H]1COC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000840711039	619925434	/nfs/dbraw/zinc/92/54/34/619925434.db2.gz	OHSGNURGVHHREV-RSBZQFRRSA-N	-1	0	290.146	2.532	20	30		CFEDRM
O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513586	619955226	/nfs/dbraw/zinc/95/52/26/619955226.db2.gz	ICCNPRNBDLNYIP-UHFFFAOYSA-N	-1	0	299.367	2.987	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1ccc2ccc(O)cc2c1O	ZINC000897400175	620102008	/nfs/dbraw/zinc/10/20/08/620102008.db2.gz	JXHYGRLJJMMLPA-NSHDSACASA-N	-1	0	284.315	2.673	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2ncc(Cl)cc2Cl)[n-]1	ZINC000899346109	620547197	/nfs/dbraw/zinc/54/71/97/620547197.db2.gz	BSEJLIHDZDWMKP-UHFFFAOYSA-N	-1	0	282.130	2.895	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)cc1	ZINC000899347204	620547738	/nfs/dbraw/zinc/54/77/38/620547738.db2.gz	MPIKBTCPRSIZIZ-NSHDSACASA-N	-1	0	293.248	2.849	20	30		CFEDRM
Cc1oc(/C=C\C(=O)c2cnn(C(C)C)c2)cc1C(=O)[O-]	ZINC000899350286	620550370	/nfs/dbraw/zinc/55/03/70/620550370.db2.gz	BPXFHUGWHJWJJV-PLNGDYQASA-N	-1	0	288.303	2.960	20	30		CFEDRM
O=C(/C=C/c1cnn(CC2CCC2)c1)c1ccc(O)cc1[O-]	ZINC000899362119	620553258	/nfs/dbraw/zinc/55/32/58/620553258.db2.gz	KPVUNSONBRYICN-QPJJXVBHSA-N	-1	0	298.342	2.991	20	30		CFEDRM
Cn1nc2c(c1C=CC(=O)c1sccc1[O-])CCC2	ZINC000899366426	620554923	/nfs/dbraw/zinc/55/49/23/620554923.db2.gz	LLORUGUTJMPTMN-AATRIKPKSA-N	-1	0	274.345	2.572	20	30		CFEDRM
Cc1c(C(=O)/C=C/c2cncc(C(=O)[O-])c2)cnn1C(C)C	ZINC000899369409	620555686	/nfs/dbraw/zinc/55/56/86/620555686.db2.gz	XBYFJFAIZWHZCY-SNAWJCMRSA-N	-1	0	299.330	2.762	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000042235267	620576744	/nfs/dbraw/zinc/57/67/44/620576744.db2.gz	OFCXCUWGGBIDAC-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000899534835	620578469	/nfs/dbraw/zinc/57/84/69/620578469.db2.gz	HVDYBZHQNUJKFL-LBPRGKRZSA-N	-1	0	261.321	2.707	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899765952	620598302	/nfs/dbraw/zinc/59/83/02/620598302.db2.gz	HUCSGVOBYLKOGY-CYBMUJFWSA-N	-1	0	288.347	2.942	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899828883	620604930	/nfs/dbraw/zinc/60/49/30/620604930.db2.gz	ARKDVGMIQSNMNJ-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000042307310	620629302	/nfs/dbraw/zinc/62/93/02/620629302.db2.gz	GEPTXTKVIRBKEF-UHFFFAOYSA-N	-1	0	294.376	2.781	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000901579194	620867982	/nfs/dbraw/zinc/86/79/82/620867982.db2.gz	XVRQUTGMJYIBIW-GFCCVEGCSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000902137006	620980264	/nfs/dbraw/zinc/98/02/64/620980264.db2.gz	XJOTYMDFPRDGIY-LBPRGKRZSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1sc(C)cc1C#N	ZINC000903170137	621279860	/nfs/dbraw/zinc/27/98/60/621279860.db2.gz	WHCWPLZXPYQSQX-UHFFFAOYSA-N	-1	0	270.379	2.636	20	30		CFEDRM
C[C@@H]1[C@@](F)(Cl)[C@]1(C)CN=Nc1ccc(C(=O)[O-])cn1	ZINC000905457382	621777145	/nfs/dbraw/zinc/77/71/45/621777145.db2.gz	QHIANMVBUVHTFK-BPTDKIDVSA-N	-1	0	285.706	2.738	20	30		CFEDRM
C[C@H]1Cc2c(C#N)c([N-]S(C)(=O)=O)sc2[C@@H](C)C1	ZINC000906074559	621928882	/nfs/dbraw/zinc/92/88/82/621928882.db2.gz	HXOBFAOJGWFDPP-SFYZADRCSA-N	-1	0	284.406	2.677	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OC2CCCC2)CC2CCC1CC2	ZINC000907222246	622100330	/nfs/dbraw/zinc/10/03/30/622100330.db2.gz	YWDNEEIBJWCHBG-QOZQQMKHSA-N	-1	0	262.353	2.697	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000907578880	622138960	/nfs/dbraw/zinc/13/89/60/622138960.db2.gz	LJZVGNILWYOLCF-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1CCC)C(=O)[O-]	ZINC000907662295	622148635	/nfs/dbraw/zinc/14/86/35/622148635.db2.gz	UWLQTBVGRXOGQR-CQSZACIVSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CCCCC1	ZINC000907674354	622150073	/nfs/dbraw/zinc/15/00/73/622150073.db2.gz	SOGOQHPPHIFOMX-QWHCGFSZSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000907646430	622151084	/nfs/dbraw/zinc/15/10/84/622151084.db2.gz	SBPFJZXZEVQOAQ-SUMWQHHRSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000907647821	622151114	/nfs/dbraw/zinc/15/11/14/622151114.db2.gz	VRCXMIMDXWGOCH-DZGCQCFKSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000907741053	622155869	/nfs/dbraw/zinc/15/58/69/622155869.db2.gz	JQLDESFAASIFON-SNVBAGLBSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C)C(=O)[O-]	ZINC000907781017	622162909	/nfs/dbraw/zinc/16/29/09/622162909.db2.gz	LQQAKNFSNGSLGI-YHQUGGNUSA-N	-1	0	279.380	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000907780134	622163117	/nfs/dbraw/zinc/16/31/17/622163117.db2.gz	DKFPODSOBIHXQR-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000908028154	622187129	/nfs/dbraw/zinc/18/71/29/622187129.db2.gz	NMFIIZNWBSKMRZ-GFCCVEGCSA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908072245	622193137	/nfs/dbraw/zinc/19/31/37/622193137.db2.gz	QDIAGRBHIXFWNE-LLVKDONJSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000908219109	622202785	/nfs/dbraw/zinc/20/27/85/622202785.db2.gz	BJTYCDJHOVGSND-UHFFFAOYSA-N	-1	0	265.309	2.715	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc(C(=O)[O-])cnc1C	ZINC000908220257	622203049	/nfs/dbraw/zinc/20/30/49/622203049.db2.gz	PZTZIVZYOFZVPB-UHFFFAOYSA-N	-1	0	276.336	2.517	20	30		CFEDRM
C#CCCCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1	ZINC000908218439	622205519	/nfs/dbraw/zinc/20/55/19/622205519.db2.gz	IZLCKNPMHGBUPS-UHFFFAOYSA-N	-1	0	299.326	2.593	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908240394	622206958	/nfs/dbraw/zinc/20/69/58/622206958.db2.gz	IFOMKDACUCTCSM-AWEZNQCLSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C#CCCCCC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908289748	622212738	/nfs/dbraw/zinc/21/27/38/622212738.db2.gz	JJQZMRUHADBQAT-CQSZACIVSA-N	-1	0	279.380	2.577	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OC/C=C\Cl)CC2CCC1CC2	ZINC000908314229	622213769	/nfs/dbraw/zinc/21/37/69/622213769.db2.gz	VMBIKHKYJOQIIG-MFVDYVGGSA-N	-1	0	268.744	2.507	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000908588416	622249784	/nfs/dbraw/zinc/24/97/84/622249784.db2.gz	VTEANWWDCCSAPZ-OAHLLOKOSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1ccccc1CCC(=O)[O-]	ZINC000908698058	622262029	/nfs/dbraw/zinc/26/20/29/622262029.db2.gz	CBBQTZUBSFUDJD-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C#CCCCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000908939002	622287084	/nfs/dbraw/zinc/28/70/84/622287084.db2.gz	UAZCTWMXHXYNKI-AWEZNQCLSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCCCCCCC(=O)[O-]	ZINC000909141799	622321296	/nfs/dbraw/zinc/32/12/96/622321296.db2.gz	ICOSTOSEVXPCMQ-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCCCCCCC(=O)[O-]	ZINC000909146595	622321818	/nfs/dbraw/zinc/32/18/18/622321818.db2.gz	PIEPVJIPEZJFLD-AWEZNQCLSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000909303072	622341004	/nfs/dbraw/zinc/34/10/04/622341004.db2.gz	INERYOGXVDHQRL-WMLDXEAASA-N	-1	0	287.359	2.670	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909694634	622345957	/nfs/dbraw/zinc/34/59/57/622345957.db2.gz	MYXHBDNTUOUGIP-INIZCTEOSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1	ZINC000909731603	622347474	/nfs/dbraw/zinc/34/74/74/622347474.db2.gz	IVLQJKJQZFQKMH-UHFFFAOYSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909793470	622353191	/nfs/dbraw/zinc/35/31/91/622353191.db2.gz	BXAQOMFYDZJEMC-CQSZACIVSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909847620	622356325	/nfs/dbraw/zinc/35/63/25/622356325.db2.gz	UEGAVYFWVZPNDK-HNNXBMFYSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C#CCC1(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)CCCCC1	ZINC000909844700	622360587	/nfs/dbraw/zinc/36/05/87/622360587.db2.gz	WKEHWKXUYLYOTA-INIZCTEOSA-N	-1	0	291.391	2.674	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])CC1	ZINC000909864801	622361310	/nfs/dbraw/zinc/36/13/10/622361310.db2.gz	CFWCZLNRRUDWGZ-MFKMUULPSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909867575	622361745	/nfs/dbraw/zinc/36/17/45/622361745.db2.gz	CNNAQFZWPYPMSX-QGZVFWFLSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000909868660	622362597	/nfs/dbraw/zinc/36/25/97/622362597.db2.gz	VDUDIJAPOPJQCF-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC1(CNC(=O)c2cc(C(=O)[O-])on2)CCCC1	ZINC000909946521	622375435	/nfs/dbraw/zinc/37/54/35/622375435.db2.gz	WQSFPJIVMXCSFU-UHFFFAOYSA-N	-1	0	292.335	2.629	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000909951789	622375814	/nfs/dbraw/zinc/37/58/14/622375814.db2.gz	BKSHITHTGPNTOG-LLVKDONJSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccn([C@@H](CCC)C(=O)[O-])n2)C1	ZINC000909951836	622375969	/nfs/dbraw/zinc/37/59/69/622375969.db2.gz	BVYPEVOSIMRZMU-NSHDSACASA-N	-1	0	291.351	2.604	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000910116001	622403670	/nfs/dbraw/zinc/40/36/70/622403670.db2.gz	SEFYNTGSEBMFEC-OAHLLOKOSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910197092	622408829	/nfs/dbraw/zinc/40/88/29/622408829.db2.gz	XQFSZFMMQIMRGD-INIZCTEOSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](C)CC(=O)[O-]	ZINC000910242015	622417469	/nfs/dbraw/zinc/41/74/69/622417469.db2.gz	OQYSFFVWACMPFC-ZDUSSCGKSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000910268382	622421228	/nfs/dbraw/zinc/42/12/28/622421228.db2.gz	YDSCCYJWWYPEGR-GQYWMQPJSA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000910268381	622421371	/nfs/dbraw/zinc/42/13/71/622421371.db2.gz	YDSCCYJWWYPEGR-DMEOUFDRSA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1cccc(C)c1Cl)C(=O)[O-]	ZINC000910293341	622430653	/nfs/dbraw/zinc/43/06/53/622430653.db2.gz	WPLWXNROGNUSBV-LBPRGKRZSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C#C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])C1	ZINC000910354623	622438168	/nfs/dbraw/zinc/43/81/68/622438168.db2.gz	BPRLTBWMIXQYNS-SECBINFHSA-N	-1	0	298.264	2.648	20	30		CFEDRM
N#Cc1nc(N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)ccc1Cl	ZINC000910385333	622440023	/nfs/dbraw/zinc/44/00/23/622440023.db2.gz	JDRRNUAKZCZLFW-LOKLDPHHSA-N	-1	0	291.738	2.518	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000910473203	622449854	/nfs/dbraw/zinc/44/98/54/622449854.db2.gz	HOPUEHIMHCZQPQ-QWHCGFSZSA-N	-1	0	273.332	2.628	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)OCC	ZINC000910560720	622457644	/nfs/dbraw/zinc/45/76/44/622457644.db2.gz	UCNGCVHJEIDHLA-ZIAGYGMSSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910787413	622475918	/nfs/dbraw/zinc/47/59/18/622475918.db2.gz	QTZZWJLPDRSLGS-GFCCVEGCSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C=CCC1(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])CCC1	ZINC000910912292	622485537	/nfs/dbraw/zinc/48/55/37/622485537.db2.gz	QIFPHCMFJXINGX-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC1(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])CCC1	ZINC000910912293	622485756	/nfs/dbraw/zinc/48/57/56/622485756.db2.gz	QIFPHCMFJXINGX-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)C(=O)[O-]	ZINC000910912867	622485875	/nfs/dbraw/zinc/48/58/75/622485875.db2.gz	PLWPTWUVSVXLNO-SRVKXCTJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(C(F)(F)F)CCC1)C(=O)[O-]	ZINC000910916088	622486851	/nfs/dbraw/zinc/48/68/51/622486851.db2.gz	TUKZPIJGKQKEDM-VIFPVBQESA-N	-1	0	293.285	2.645	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000910917507	622487296	/nfs/dbraw/zinc/48/72/96/622487296.db2.gz	BKMXXVWJFXPJQP-LLVKDONJSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000910918200	622487324	/nfs/dbraw/zinc/48/73/24/622487324.db2.gz	IOUYIEGRTOGBOL-ZDUSSCGKSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/c1ccsc1)C(=O)[O-]	ZINC000910918781	622487348	/nfs/dbraw/zinc/48/73/48/622487348.db2.gz	PLSNULPQCSNGCJ-SYTKJHMZSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000910918698	622487371	/nfs/dbraw/zinc/48/73/71/622487371.db2.gz	NZTMPWNGDRCGEC-CYBMUJFWSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000910922215	622487672	/nfs/dbraw/zinc/48/76/72/622487672.db2.gz	ICDACDNECWKLMF-IUCAKERBSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000910922950	622487726	/nfs/dbraw/zinc/48/77/26/622487726.db2.gz	PFENMCWALJGFCN-VIFPVBQESA-N	-1	0	287.768	2.941	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CCCC)C(=O)[O-]	ZINC000910924901	622488207	/nfs/dbraw/zinc/48/82/07/622488207.db2.gz	GNYZOYPFKBNOTQ-NEPJUHHUSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)[O-]	ZINC000910924750	622488251	/nfs/dbraw/zinc/48/82/51/622488251.db2.gz	DLQJFUMTFRVPDA-XJFOESAGSA-N	-1	0	277.364	2.514	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C(C)=C/c1ccco1)C(=O)[O-]	ZINC000910925698	622488275	/nfs/dbraw/zinc/48/82/75/622488275.db2.gz	NOVIFIHSWFOVKT-OCHBPSSRSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910961489	622490189	/nfs/dbraw/zinc/49/01/89/622490189.db2.gz	URTWULZBWNOKQD-LLVKDONJSA-N	-1	0	291.347	2.867	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccnc1	ZINC000910983778	622494404	/nfs/dbraw/zinc/49/44/04/622494404.db2.gz	RFJOJSGBMCCHHM-AWEZNQCLSA-N	-1	0	278.352	2.684	20	30		CFEDRM
C#C[C@@](C)(CC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000911385508	622518774	/nfs/dbraw/zinc/51/87/74/622518774.db2.gz	VQACHNKEQPZOHN-AWEZNQCLSA-N	-1	0	279.723	2.570	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCC1	ZINC000911462632	622522665	/nfs/dbraw/zinc/52/26/65/622522665.db2.gz	BRYZRXDLNAEKGW-UHFFFAOYSA-N	-1	0	275.304	2.775	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911683679	622534916	/nfs/dbraw/zinc/53/49/16/622534916.db2.gz	JHEDSDDIPMLFDY-UHFFFAOYSA-N	-1	0	265.284	2.983	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccncc1	ZINC000819819025	622564121	/nfs/dbraw/zinc/56/41/21/622564121.db2.gz	REVMXKPHGXNIJH-NTZNESFSSA-N	-1	0	275.352	2.609	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1ncccn1	ZINC000912974109	622809463	/nfs/dbraw/zinc/80/94/63/622809463.db2.gz	LCZKDYPPWLHHRG-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
Cc1nn(C)c2ncc(/C=C/C(=O)c3ccccc3[O-])cc12	ZINC000156600186	622948680	/nfs/dbraw/zinc/94/86/80/622948680.db2.gz	RIBPCQDMAFBPJF-BQYQJAHWSA-N	-1	0	293.326	2.878	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000156638787	622952680	/nfs/dbraw/zinc/95/26/80/622952680.db2.gz	BMENTEQKUZWVJZ-RUDMXATFSA-N	-1	0	298.294	2.781	20	30		CFEDRM
O=C(/C=C/c1csnn1)c1cc(Cl)ccc1[O-]	ZINC000156677855	622953673	/nfs/dbraw/zinc/95/36/73/622953673.db2.gz	VMLHQRMKCHWQBD-DUXPYHPUSA-N	-1	0	266.709	2.793	20	30		CFEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1	ZINC000156661903	622955162	/nfs/dbraw/zinc/95/51/62/622955162.db2.gz	BNAKVDGJHMOMCF-XBXARRHUSA-N	-1	0	297.310	2.952	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1	ZINC000045098539	622965398	/nfs/dbraw/zinc/96/53/98/622965398.db2.gz	ARTHYMTUDHKNIL-UHFFFAOYSA-N	-1	0	267.350	2.694	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CC=CCC1	ZINC000046708798	623093828	/nfs/dbraw/zinc/09/38/28/623093828.db2.gz	FVFFBGLYAKJKAU-LLVKDONJSA-N	-1	0	265.334	2.688	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Sc1ccc(F)cc1	ZINC000824028233	623435932	/nfs/dbraw/zinc/43/59/32/623435932.db2.gz	BYTVBQZIFGPVJY-JTQLQIEISA-N	-1	0	269.341	2.930	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOCC(F)F	ZINC000814903993	623442180	/nfs/dbraw/zinc/44/21/80/623442180.db2.gz	LWWPQKQCXDUICX-UHFFFAOYSA-N	-1	0	269.247	2.707	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000824232213	623473726	/nfs/dbraw/zinc/47/37/26/623473726.db2.gz	GPULIURDHLOOMO-SSDOTTSWSA-N	-1	0	277.217	2.679	20	30		CFEDRM
CC(=NN(C)[C@@H](C)CO)c1ccc(Cl)c(Cl)c1[O-]	ZINC000842540218	623485308	/nfs/dbraw/zinc/48/53/08/623485308.db2.gz	JBAHKHVAEMCLRG-ZETCQYMHSA-N	-1	0	291.178	2.736	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000825698883	623743064	/nfs/dbraw/zinc/74/30/64/623743064.db2.gz	ORMWUNKWKOFEHL-UHFFFAOYSA-N	-1	0	292.335	2.722	20	30		CFEDRM
CCC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000914533449	623893199	/nfs/dbraw/zinc/89/31/99/623893199.db2.gz	UYYBLFQIYZXKPR-LBPRGKRZSA-N	-1	0	293.330	2.675	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H](C)C(F)(F)F	ZINC000834998242	623921190	/nfs/dbraw/zinc/92/11/90/623921190.db2.gz	DTEQRZVLSHRUMH-QMMMGPOBSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CC(=NN[C@@H](C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000835002128	623926223	/nfs/dbraw/zinc/92/62/23/623926223.db2.gz	RGXANRDASIOESD-ZETCQYMHSA-N	-1	0	291.229	2.565	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCC1	ZINC000914729286	623928843	/nfs/dbraw/zinc/92/88/43/623928843.db2.gz	NOBMOMRPLUPGEM-UHFFFAOYSA-N	-1	0	276.267	2.546	20	30		CFEDRM
CCOC(=O)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000193676796	624084183	/nfs/dbraw/zinc/08/41/83/624084183.db2.gz	PGPLPURVRVSIGT-LHHJGKSTSA-N	-1	0	276.119	2.681	20	30		CFEDRM
N#CCC[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000153666233	624085808	/nfs/dbraw/zinc/08/58/08/624085808.db2.gz	CNWWAPZDKLAMNQ-SNVBAGLBSA-N	-1	0	256.227	2.710	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1	ZINC000916249480	624231909	/nfs/dbraw/zinc/23/19/09/624231909.db2.gz	RIOAOOIGUYVDRF-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
Cc1nnc(NN=Cc2ccc(-c3ccccc3)o2)[n-]c1=O	ZINC000917538772	624351817	/nfs/dbraw/zinc/35/18/17/624351817.db2.gz	OIRROLSRZJCKMD-UHFFFAOYSA-N	-1	0	295.302	2.592	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2csc([N+](=O)[O-])c2)cc1	ZINC000917530140	624355550	/nfs/dbraw/zinc/35/55/50/624355550.db2.gz	XVYDFRYJJQPLLU-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
Cc1ncc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000917530814	624355807	/nfs/dbraw/zinc/35/58/07/624355807.db2.gz	DCVUSTDNXOAPDW-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1ccc(NN=C2COc3ccc(F)cc32)cc1	ZINC000918151588	624423343	/nfs/dbraw/zinc/42/33/43/624423343.db2.gz	ZWJQHIDQLCSUDX-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
C#CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000829788764	624538167	/nfs/dbraw/zinc/53/81/67/624538167.db2.gz	GJNONPJGMJYDMT-LLVKDONJSA-N	-1	0	287.388	2.632	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830323920	624708789	/nfs/dbraw/zinc/70/87/89/624708789.db2.gz	LWEUGEWDHQJHNZ-JTQLQIEISA-N	-1	0	295.310	2.654	20	30		CFEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000064618633	624951901	/nfs/dbraw/zinc/95/19/01/624951901.db2.gz	UJAYCVXUKMYSDL-GFCCVEGCSA-N	-1	0	290.429	2.890	20	30		CFEDRM
CNC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000170851812	624962256	/nfs/dbraw/zinc/96/22/56/624962256.db2.gz	BQUBDHDUPBTOIW-XBXARRHUSA-N	-1	0	299.301	2.787	20	30		CFEDRM
Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000069524698	625139388	/nfs/dbraw/zinc/13/93/88/625139388.db2.gz	YSLLPBQTQADNMQ-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000181871411	625226902	/nfs/dbraw/zinc/22/69/02/625226902.db2.gz	XJPWSXJYEHLBKR-LLVKDONJSA-N	-1	0	263.403	2.591	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000832213971	625244895	/nfs/dbraw/zinc/24/48/95/625244895.db2.gz	WROCUBNCIBYSJW-SECBINFHSA-N	-1	0	275.333	2.539	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1	ZINC000070036236	625257756	/nfs/dbraw/zinc/25/77/56/625257756.db2.gz	MZCXKAZFGITJIY-UHFFFAOYSA-N	-1	0	289.784	2.825	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)c1	ZINC000073087052	625772057	/nfs/dbraw/zinc/77/20/57/625772057.db2.gz	SWTJEQRFKJQVOO-LLVKDONJSA-N	-1	0	269.366	2.932	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000851601244	634451959	/nfs/dbraw/zinc/45/19/59/634451959.db2.gz	JSNDHXBXCRLVKF-XJKSGUPXSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000851624046	634461579	/nfs/dbraw/zinc/46/15/79/634461579.db2.gz	YLLDNRIQLIIZOV-MNHHLFBFSA-N	-1	0	287.315	2.701	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc(F)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814927762	625902481	/nfs/dbraw/zinc/90/24/81/625902481.db2.gz	FEZBJCZGEQWNMX-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834936043	625926414	/nfs/dbraw/zinc/92/64/14/625926414.db2.gz	PMVMCDMQODKHST-GXFFZTMASA-N	-1	0	264.325	2.844	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834936042	625927825	/nfs/dbraw/zinc/92/78/25/625927825.db2.gz	PMVMCDMQODKHST-GWCFXTLKSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CCCON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000842551965	625940569	/nfs/dbraw/zinc/94/05/69/625940569.db2.gz	VTJUKAXUIDZVKQ-LLVKDONJSA-N	-1	0	265.309	2.689	20	30		CFEDRM
CC(=NOC(C)C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000834999941	625949936	/nfs/dbraw/zinc/94/99/36/625949936.db2.gz	GDUBXNGRVVBMFT-LLVKDONJSA-N	-1	0	265.309	2.688	20	30		CFEDRM
CCOC(=O)C(C)(C)ON=C(C)c1csc(C(=O)[O-])c1	ZINC000835007706	625954631	/nfs/dbraw/zinc/95/46/31/625954631.db2.gz	XCKUXTXYEXFKCP-UHFFFAOYSA-N	-1	0	299.348	2.529	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008207	625954923	/nfs/dbraw/zinc/95/49/23/625954923.db2.gz	HCBXAWKPELWBSY-TVQRCGJNSA-N	-1	0	282.315	2.983	20	30		CFEDRM
Cc1ccc(CNN=C2CCC(C(=O)[O-])CC2)cc1	ZINC000835007932	625955370	/nfs/dbraw/zinc/95/53/70/625955370.db2.gz	CKUKIJRIQSNYBX-UHFFFAOYSA-N	-1	0	260.337	2.715	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCSC2)c(F)c1	ZINC000835009594	625955752	/nfs/dbraw/zinc/95/57/52/625955752.db2.gz	ZIPCTXKOSSFAFU-UHFFFAOYSA-N	-1	0	268.313	2.819	20	30		CFEDRM
CC(C)OCC(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009167	625956148	/nfs/dbraw/zinc/95/61/48/625956148.db2.gz	RWZDWLGZJBLAHO-UHFFFAOYSA-N	-1	0	268.288	2.737	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@H]1C	ZINC000835009374	625956326	/nfs/dbraw/zinc/95/63/26/625956326.db2.gz	UWRIGBDMUOAFDK-YUMQZZPRSA-N	-1	0	250.273	2.968	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012680	625958537	/nfs/dbraw/zinc/95/85/37/625958537.db2.gz	RWDBTWPPSJRHMK-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012681	625958927	/nfs/dbraw/zinc/95/89/27/625958927.db2.gz	RWDBTWPPSJRHMK-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000835023618	625968399	/nfs/dbraw/zinc/96/83/99/625968399.db2.gz	MDYXSRNMQNLBTJ-JGVFFNPUSA-N	-1	0	283.278	2.649	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc([O-])c(F)c1	ZINC000186409757	626045327	/nfs/dbraw/zinc/04/53/27/626045327.db2.gz	FJNHQVMLDFKELM-DAFODLJHSA-N	-1	0	261.227	2.962	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1	ZINC000073838036	626396086	/nfs/dbraw/zinc/39/60/86/626396086.db2.gz	IKFUSYFZVXXACY-LLVKDONJSA-N	-1	0	299.392	2.929	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccccc1F	ZINC000073837793	626396156	/nfs/dbraw/zinc/39/61/56/626396156.db2.gz	PGONGGSDOFHCMJ-UHFFFAOYSA-N	-1	0	287.356	2.843	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1cscn1	ZINC000073838078	626396194	/nfs/dbraw/zinc/39/61/94/626396194.db2.gz	NXTGQIOVFBOSHF-UHFFFAOYSA-N	-1	0	290.410	2.551	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000788082324	626420234	/nfs/dbraw/zinc/42/02/34/626420234.db2.gz	XKSPTLSJYDWXHP-DOGVGXBMSA-N	-1	0	257.318	2.669	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC2(CC2)C1	ZINC000923066836	626448712	/nfs/dbraw/zinc/44/87/12/626448712.db2.gz	PJYFKSGDORBUMI-UHFFFAOYSA-N	-1	0	288.278	2.546	20	30		CFEDRM
C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000923083326	626449574	/nfs/dbraw/zinc/44/95/74/626449574.db2.gz	NOVYRWXOKOQLGK-NSHDSACASA-N	-1	0	298.342	2.897	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-]	ZINC000923083849	626449679	/nfs/dbraw/zinc/44/96/79/626449679.db2.gz	SRJRETLVAZUYKB-QMMMGPOBSA-N	-1	0	289.303	2.835	20	30		CFEDRM
N#CC1(C(=O)NCc2ccc(C(=O)[O-])s2)CCCCC1	ZINC000923079577	626449948	/nfs/dbraw/zinc/44/99/48/626449948.db2.gz	FSBHRZFOPGNSCO-UHFFFAOYSA-N	-1	0	292.360	2.537	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000923104205	626451377	/nfs/dbraw/zinc/45/13/77/626451377.db2.gz	TUKDRZCJIUSITA-MEDUHNTESA-N	-1	0	286.331	2.531	20	30		CFEDRM
CC#CCOC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000923131388	626452329	/nfs/dbraw/zinc/45/23/29/626452329.db2.gz	HISKGZZOJMKEGK-UHFFFAOYSA-N	-1	0	296.348	2.670	20	30		CFEDRM
C#CCCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923178280	626454683	/nfs/dbraw/zinc/45/46/83/626454683.db2.gz	SEUHLKZKSNSPMC-AWEZNQCLSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1	ZINC000923201403	626456534	/nfs/dbraw/zinc/45/65/34/626456534.db2.gz	ORKRCPXABBJRNM-JZYAIQKZSA-N	-1	0	299.370	2.572	20	30		CFEDRM
CC1(C#N)CN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000839133347	626528034	/nfs/dbraw/zinc/52/80/34/626528034.db2.gz	PHBAUMFQYZPLJW-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
CC[C@](C)([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000839290824	626532967	/nfs/dbraw/zinc/53/29/67/626532967.db2.gz	BIJXSEQBNDMVFK-XINAWCOVSA-N	-1	0	269.160	2.734	20	30		CFEDRM
O=C(/C=C1/COc2ccc(F)cc21)c1ccc(O)cc1[O-]	ZINC000757467574	626552923	/nfs/dbraw/zinc/55/29/23/626552923.db2.gz	GFVJCVZTYACFPY-UITAMQMPSA-N	-1	0	286.258	2.896	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2nccs2)c([O-])c1	ZINC000757471378	626553125	/nfs/dbraw/zinc/55/31/25/626553125.db2.gz	CNAUZNOHLWIITM-SNAWJCMRSA-N	-1	0	261.302	2.753	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])[nH]1	ZINC000757475941	626553236	/nfs/dbraw/zinc/55/32/36/626553236.db2.gz	NSCKXFMKIKLZNT-VMPITWQZSA-N	-1	0	285.299	2.711	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H]1CC(C)(C)Oc2ccccc21	ZINC000839789159	626555534	/nfs/dbraw/zinc/55/55/34/626555534.db2.gz	WEFWIUGHTNAJQN-LBPRGKRZSA-N	-1	0	261.321	2.565	20	30		CFEDRM
CC1(CN=Nc2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000758065496	626575290	/nfs/dbraw/zinc/57/52/90/626575290.db2.gz	AJDDHQJVSFJZCF-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NOCc2ccc(F)cc2)ccc1[O-]	ZINC000758143757	626579218	/nfs/dbraw/zinc/57/92/18/626579218.db2.gz	VSWQJUCIRLVFJQ-UHFFFAOYSA-N	-1	0	290.250	2.990	20	30		CFEDRM
Cc1ncccc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091824	626628123	/nfs/dbraw/zinc/62/81/23/626628123.db2.gz	VLKQFKNRDWFWJD-GQCTYLIASA-N	-1	0	284.271	2.900	20	30		CFEDRM
COc1ccc(/C=C/C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000759713087	626686556	/nfs/dbraw/zinc/68/65/56/626686556.db2.gz	HDQOEFMMLRPIOI-WEVVVXLNSA-N	-1	0	294.310	2.924	20	30		CFEDRM
CCC(N=Nc1ccc(C)nn1)c1ccc(C(=O)[O-])cc1	ZINC000760253071	626724225	/nfs/dbraw/zinc/72/42/25/626724225.db2.gz	NVROXDFNSNDNLQ-UHFFFAOYSA-N	-1	0	284.319	2.709	20	30		CFEDRM
N#CC(=C([O-])C=CSc1ccccc1)c1ccncn1	ZINC000760337713	626736023	/nfs/dbraw/zinc/73/60/23/626736023.db2.gz	BHUKNMBPQAYMBD-BUUCAEBMSA-N	-1	0	281.340	2.959	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2sccc2c1	ZINC000761027322	626791918	/nfs/dbraw/zinc/79/19/18/626791918.db2.gz	OYDUSLJXKDFSGN-ZDUSSCGKSA-N	-1	0	298.367	2.846	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2sccc2c1	ZINC000761037259	626792788	/nfs/dbraw/zinc/79/27/88/626792788.db2.gz	LWTJCYPJIIYBCW-LBPRGKRZSA-N	-1	0	286.356	2.748	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1csc2ccccc12	ZINC000762048427	626884530	/nfs/dbraw/zinc/88/45/30/626884530.db2.gz	OLSFWEZFFNRBGX-UHFFFAOYSA-N	-1	0	289.356	2.543	20	30		CFEDRM
Cc1nnc(N=NC[C@@H](C)c2cccc(Cl)c2)[n-]c1=O	ZINC000763347023	626982100	/nfs/dbraw/zinc/98/21/00/626982100.db2.gz	UWBLBQWKICWPJN-MRVPVSSYSA-N	-1	0	291.742	2.740	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2nccc3ccccc32)nc1	ZINC000763368066	626983114	/nfs/dbraw/zinc/98/31/14/626983114.db2.gz	JKKPHQNNPKXGNK-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])cn2)C[C@@H]1OC	ZINC000763370622	626983610	/nfs/dbraw/zinc/98/36/10/626983610.db2.gz	SOPWNUYOZAIXRF-LBPRGKRZSA-N	-1	0	291.351	2.773	20	30		CFEDRM
COc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369224	626983716	/nfs/dbraw/zinc/98/37/16/626983716.db2.gz	SZDPCWJNNOUBKX-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc3[nH]ccc32)nc1	ZINC000763377193	626984120	/nfs/dbraw/zinc/98/41/20/626984120.db2.gz	LGHUVEKOKRMNIB-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
COc1ccc(C)cc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372136	626984125	/nfs/dbraw/zinc/98/41/25/626984125.db2.gz	USRAJIIILFTPJF-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
CC#CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000764941751	627107624	/nfs/dbraw/zinc/10/76/24/627107624.db2.gz	VMJUMZRZRXAVRQ-UHFFFAOYSA-N	-1	0	259.353	2.756	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cncs1)CC2	ZINC000767720541	627279872	/nfs/dbraw/zinc/27/98/72/627279872.db2.gz	DIXIWVLSUVECIM-XBXARRHUSA-N	-1	0	289.312	2.955	20	30		CFEDRM
Cc1nnc(N=NC2C[C@@H](c3ccccc3)C2(C)C)[n-]c1=O	ZINC000768476349	627346384	/nfs/dbraw/zinc/34/63/84/627346384.db2.gz	MUMQGZDYLKQAKH-LBPRGKRZSA-N	-1	0	297.362	2.867	20	30		CFEDRM
C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)CC(C)(C)C	ZINC000770866554	627552173	/nfs/dbraw/zinc/55/21/73/627552173.db2.gz	SXUJDBMHALMBBR-RYUDHWBXSA-N	-1	0	289.379	2.774	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nc1	ZINC000771510428	627610781	/nfs/dbraw/zinc/61/07/81/627610781.db2.gz	JLFCHJUUOPTOQK-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
C[C@@H](CC#N)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000771879517	627641354	/nfs/dbraw/zinc/64/13/54/627641354.db2.gz	AZYFNDWDWKNWHZ-ZETCQYMHSA-N	-1	0	272.135	2.925	20	30		CFEDRM
COC(=O)c1coc(/C=C/C(=O)c2ccc(F)cc2[O-])c1	ZINC000774134546	627891597	/nfs/dbraw/zinc/89/15/97/627891597.db2.gz	CUSDUKDVWBWUES-HWKANZROSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CCOCCON=Cc1cccc(Br)c1[O-]	ZINC000774422897	627923846	/nfs/dbraw/zinc/92/38/46/627923846.db2.gz	QNNQMILYHZLBIE-UHFFFAOYSA-N	-1	0	288.141	2.542	20	30		CFEDRM
O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccncc2)cc1	ZINC000776188403	628113369	/nfs/dbraw/zinc/11/33/69/628113369.db2.gz	MVXDIOYYKSNYOC-UTCJRWHESA-N	-1	0	297.310	2.831	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725979	628171532	/nfs/dbraw/zinc/17/15/32/628171532.db2.gz	ITCGFXVVFZNXNX-AWEZNQCLSA-N	-1	0	292.335	2.664	20	30		CFEDRM
COc1cc(C=NOC2CCCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000777456597	628227720	/nfs/dbraw/zinc/22/77/20/628227720.db2.gz	DGQAWFGCLRBYHP-UHFFFAOYSA-N	-1	0	294.307	2.992	20	30		CFEDRM
C=CCC[C@H](C(=O)[N-]OC1CCOCC1)c1ccccc1	ZINC000777820868	628254614	/nfs/dbraw/zinc/25/46/14/628254614.db2.gz	NKIUIJOHEMCECT-INIZCTEOSA-N	-1	0	289.375	2.963	20	30		CFEDRM
COC[C@@H](C)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000777902654	628263487	/nfs/dbraw/zinc/26/34/87/628263487.db2.gz	SEHSOCJHHUQYCN-SSDOTTSWSA-N	-1	0	277.151	2.657	20	30		CFEDRM
CN1CCc2cc(C(=O)Nc3cc(C#N)ccc3[O-])ccc21	ZINC000779031282	628347983	/nfs/dbraw/zinc/34/79/83/628347983.db2.gz	HZJMBYOFXPQYPD-UHFFFAOYSA-N	-1	0	293.326	2.508	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3ccccc3C2=O)ccc1O	ZINC000779358856	628376448	/nfs/dbraw/zinc/37/64/48/628376448.db2.gz	XYAPLRFCHPXCIF-GHXNOFRVSA-N	-1	0	280.279	2.913	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc3n[nH]cc3c2)c1	ZINC000779820076	628411294	/nfs/dbraw/zinc/41/12/94/628411294.db2.gz	DPXPDMSFCJLAPT-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
CC1(C)C[C@@H](NN=Cc2cccc(Cl)c2[O-])CCO1	ZINC000780241345	628443138	/nfs/dbraw/zinc/44/31/38/628443138.db2.gz	ODWFLLRTVPTJSD-NSHDSACASA-N	-1	0	282.771	2.927	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2ccnc(F)c2)cc1F	ZINC000781125188	628523742	/nfs/dbraw/zinc/52/37/42/628523742.db2.gz	UKFSYSNLBMCVRA-UHFFFAOYSA-N	-1	0	267.210	2.651	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000781132853	628524697	/nfs/dbraw/zinc/52/46/97/628524697.db2.gz	OVQGIFWDMWLRCO-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
Cc1cccnc1C=NNc1ccccc1C(=O)[O-]	ZINC000781586022	628562552	/nfs/dbraw/zinc/56/25/52/628562552.db2.gz	RZGBGJFDFBHQKH-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
O=C1c2ccccc2CN1N=Cc1cc(F)c([O-])c(F)c1	ZINC000781595529	628563618	/nfs/dbraw/zinc/56/36/18/628563618.db2.gz	SGESYUSDHUYAIO-UHFFFAOYSA-N	-1	0	288.253	2.660	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCSC1	ZINC000782255721	628620009	/nfs/dbraw/zinc/62/00/09/628620009.db2.gz	WYXJVVKBXHYSOV-VIFPVBQESA-N	-1	0	280.349	2.544	20	30		CFEDRM
CC(C)(C)CCNN=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000782902474	628662059	/nfs/dbraw/zinc/66/20/59/628662059.db2.gz	AROYYYGYDGFNFD-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1	ZINC000783077348	628673143	/nfs/dbraw/zinc/67/31/43/628673143.db2.gz	PHARIARLBXWFMF-CYBMUJFWSA-N	-1	0	296.326	2.674	20	30		CFEDRM
CC(C)(C)OC(=O)CCNN=Cc1cccc(Cl)c1[O-]	ZINC000783869056	628751753	/nfs/dbraw/zinc/75/17/53/628751753.db2.gz	RXAGJXKQLQZXIR-UHFFFAOYSA-N	-1	0	298.770	2.701	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784828796	628844678	/nfs/dbraw/zinc/84/46/78/628844678.db2.gz	KPHVUGQHFOAPKC-CYBMUJFWSA-N	-1	0	294.310	2.548	20	30		CFEDRM
N#C[C@@]1(F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000786579301	628969466	/nfs/dbraw/zinc/96/94/66/628969466.db2.gz	ONQXEWXXXDFZHM-LBPRGKRZSA-N	-1	0	272.682	2.622	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)o1	ZINC000787064521	628990928	/nfs/dbraw/zinc/99/09/28/628990928.db2.gz	AMJPTCYBVCGASQ-CQSZACIVSA-N	-1	0	296.326	2.569	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)co1	ZINC000787066257	628990993	/nfs/dbraw/zinc/99/09/93/628990993.db2.gz	COQZDHPXBPNJQE-OAHLLOKOSA-N	-1	0	296.326	2.569	20	30		CFEDRM
Cc1ccc2nc(C=NNc3cccc(C(=O)[O-])c3)cn2c1	ZINC000788940205	629109562	/nfs/dbraw/zinc/10/95/62/629109562.db2.gz	OPGBJVOTYJAFRU-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1	ZINC000790005372	629203293	/nfs/dbraw/zinc/20/32/93/629203293.db2.gz	QMJPUIDSIPXAEF-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
COCC(=NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC000790149657	629213493	/nfs/dbraw/zinc/21/34/93/629213493.db2.gz	NPIDJBRANUATQL-UHFFFAOYSA-N	-1	0	284.315	2.847	20	30		CFEDRM
Cc1cccnc1N=NCc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000790187467	629217592	/nfs/dbraw/zinc/21/75/92/629217592.db2.gz	VXHKUFHEWCBLEH-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
Cc1cccnc1NN=Cc1ccccc1C(=O)[O-]	ZINC000790192814	629218564	/nfs/dbraw/zinc/21/85/64/629218564.db2.gz	FJCWKIPCBAQLIK-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2Cl)C(=O)O1	ZINC000790207781	629220154	/nfs/dbraw/zinc/22/01/54/629220154.db2.gz	DCDXNYXOHQQFJF-VUDBWIFFSA-N	-1	0	296.731	2.630	20	30		CFEDRM
CC[C@@H](C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000791501943	629323280	/nfs/dbraw/zinc/32/32/80/629323280.db2.gz	FHEJULTXVDQRJZ-KOLCDFICSA-N	-1	0	294.376	2.607	20	30		CFEDRM
Cc1cc([C@@H](C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1	ZINC000835061279	629363732	/nfs/dbraw/zinc/36/37/32/629363732.db2.gz	YHOFWLMETRWWAR-ZRUQZJFASA-N	-1	0	299.374	2.643	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCCc1ccc([N+](=O)[O-])cc1	ZINC000792940331	629469294	/nfs/dbraw/zinc/46/92/94/629469294.db2.gz	MUUPEENNBOMEJB-UHFFFAOYSA-N	-1	0	299.286	2.933	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H](C(F)(F)F)C1)C(=O)[O-]	ZINC000793056012	629480756	/nfs/dbraw/zinc/48/07/56/629480756.db2.gz	RJKWWIFIROWSBJ-CBAPKCEASA-N	-1	0	266.263	2.548	20	30		CFEDRM
CCO[C@@H]1CC(=NN[C@H](CC)C(=O)[O-])C12CCCCC2	ZINC000793059137	629481377	/nfs/dbraw/zinc/48/13/77/629481377.db2.gz	YODJVFZYPQWNGU-DGCLKSJQSA-N	-1	0	282.384	2.555	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc2cc(O)ccc2c1)C(=O)[O-]	ZINC000793072355	629482730	/nfs/dbraw/zinc/48/27/30/629482730.db2.gz	NLKGLNYIXJAWEE-OAHLLOKOSA-N	-1	0	286.331	2.722	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000793071358	629482748	/nfs/dbraw/zinc/48/27/48/629482748.db2.gz	DCTWIDVWSMKRSJ-LLVKDONJSA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@H](NN=C(Cc1ccc(C)cc1)C1CC1)C(=O)[O-]	ZINC000793071750	629482760	/nfs/dbraw/zinc/48/27/60/629482760.db2.gz	LQKWUNYGUCYHTC-AWEZNQCLSA-N	-1	0	274.364	2.756	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](C(C)C)[C@H](C)C1)C(=O)[O-]	ZINC000793072842	629482850	/nfs/dbraw/zinc/48/28/50/629482850.db2.gz	WQWMTTVZWNHVFO-RTXFEEFZSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@@H](NN=C[C@H](C)CCc1ccccc1)C(=O)[O-]	ZINC000793072655	629483028	/nfs/dbraw/zinc/48/30/28/629483028.db2.gz	UGIWJRHXMMAHLS-TZMCWYRMSA-N	-1	0	262.353	2.694	20	30		CFEDRM
C=CCOc1ccc(C=NN[C@@H](CC)C(=O)[O-])cc1Cl	ZINC000793071456	629483043	/nfs/dbraw/zinc/48/30/43/629483043.db2.gz	JDWPALDKHZVICN-LBPRGKRZSA-N	-1	0	296.754	2.692	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C)cc1Br)C(=O)[O-]	ZINC000793073429	629483551	/nfs/dbraw/zinc/48/35/51/629483551.db2.gz	VFIIOOLQWQIKLA-LLVKDONJSA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=C1c2cccc(F)c2CC[C@@H]1C)C(=O)[O-]	ZINC000793080103	629484231	/nfs/dbraw/zinc/48/42/31/629484231.db2.gz	WBMREYCGZVXIBX-TVQRCGJNSA-N	-1	0	278.327	2.565	20	30		CFEDRM
CC[C@H](NN=CC1CCC(C(F)(F)F)CC1)C(=O)[O-]	ZINC000793077388	629484501	/nfs/dbraw/zinc/48/45/01/629484501.db2.gz	FTDWHXJAVUYVAG-RTBKNWGFSA-N	-1	0	280.290	2.794	20	30		CFEDRM
CC[C@@H](NN=C1CCC(C#N)(c2ccccc2)CC1)C(=O)[O-]	ZINC000793079831	629484565	/nfs/dbraw/zinc/48/45/65/629484565.db2.gz	UGLKFKJXXGPPJG-LDCVWXEPSA-N	-1	0	299.374	2.831	20	30		CFEDRM
C[C@@H](NN=Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000793111504	629487799	/nfs/dbraw/zinc/48/77/99/629487799.db2.gz	IGXZPWNSTXAZQT-SECBINFHSA-N	-1	0	265.313	2.659	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2cccc(Cl)n2)ccc1[O-]	ZINC000793174580	629498425	/nfs/dbraw/zinc/49/84/25/629498425.db2.gz	KXEVZOOSHMWXHF-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1c(F)ccc(O)c1F	ZINC000794483891	629649662	/nfs/dbraw/zinc/64/96/62/629649662.db2.gz	PBTJPLOLLGUVFC-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
CN(C)Cc1cnc(/C=C/C(=O)c2ccccc2[O-])s1	ZINC000794700235	629676540	/nfs/dbraw/zinc/67/65/40/629676540.db2.gz	HZERSESMPJWLEM-BQYQJAHWSA-N	-1	0	288.372	2.806	20	30		CFEDRM
Cc1cnn(C)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000794702690	629676772	/nfs/dbraw/zinc/67/67/72/629676772.db2.gz	RJWCSTKCBTXKJR-VOTSOKGWSA-N	-1	0	256.305	2.639	20	30		CFEDRM
Cc1cnn(C)c1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000794710487	629677741	/nfs/dbraw/zinc/67/77/41/629677741.db2.gz	IDDYTBCDDKECQX-GQCTYLIASA-N	-1	0	276.723	2.984	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccnc(F)c1	ZINC000794720850	629679534	/nfs/dbraw/zinc/67/95/34/629679534.db2.gz	IGTUOOGYZHSFPE-DAFODLJHSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCSC2)cc1	ZINC000794857629	629696154	/nfs/dbraw/zinc/69/61/54/629696154.db2.gz	WMGIAUORJXUFRP-SNVBAGLBSA-N	-1	0	264.350	2.926	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCF)nc1	ZINC000794921557	629704114	/nfs/dbraw/zinc/70/41/14/629704114.db2.gz	CYUPCJHSGZSEMG-SECBINFHSA-N	-1	0	265.288	2.707	20	30		CFEDRM
CCOC1CC(CN=Nc2ccc(C(=O)[O-])cc2OC)C1	ZINC000794924122	629704972	/nfs/dbraw/zinc/70/49/72/629704972.db2.gz	VLJQEEAIMLJOAP-UHFFFAOYSA-N	-1	0	292.335	2.606	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NNC2CCCCC2)cc1)C(=O)[O-]	ZINC000794932336	629706533	/nfs/dbraw/zinc/70/65/33/629706533.db2.gz	DYNAAEKBDUUUNY-GFCCVEGCSA-N	-1	0	290.363	2.795	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccnn1C	ZINC000794943096	629708305	/nfs/dbraw/zinc/70/83/05/629708305.db2.gz	ICQOHLCAIRBSPF-PLNGDYQASA-N	-1	0	284.315	2.631	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cnccn1	ZINC000794942944	629708339	/nfs/dbraw/zinc/70/83/39/629708339.db2.gz	SYJQINKGYAKTKZ-ONEGZZNKSA-N	-1	0	282.299	2.688	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1ccc(CC(=O)[O-])cc1	ZINC000794985217	629718017	/nfs/dbraw/zinc/71/80/17/629718017.db2.gz	SWYCVUNEGUJYCF-UHFFFAOYSA-N	-1	0	287.294	2.684	20	30		CFEDRM
C=CCN1C(=O)C(=N[N-]c2ncccc2F)c2ccccc21	ZINC000794989767	629718484	/nfs/dbraw/zinc/71/84/84/629718484.db2.gz	CCLFHJKCLVZHLK-UHFFFAOYSA-N	-1	0	296.305	2.570	20	30		CFEDRM
CCC(=NOCCCOC)c1ccc(C(=O)[O-])cc1	ZINC000795055386	629730602	/nfs/dbraw/zinc/73/06/02/629730602.db2.gz	LLDZNADMRCOIDO-UHFFFAOYSA-N	-1	0	265.309	2.552	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1	ZINC000835463681	629749521	/nfs/dbraw/zinc/74/95/21/629749521.db2.gz	CNFYVUGOJUVHIA-CYBMUJFWSA-N	-1	0	295.404	2.796	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000796801177	629969628	/nfs/dbraw/zinc/96/96/28/629969628.db2.gz	KXJNSNRYSIBDMQ-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
C#Cc1cccc(NC(=O)N(CCC)[C@H](CC)C(=O)[O-])c1	ZINC000797737393	630098696	/nfs/dbraw/zinc/09/86/96/630098696.db2.gz	ZNOICWISCQNBSS-CQSZACIVSA-N	-1	0	288.347	2.775	20	30		CFEDRM
N#CCC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CC1	ZINC000797769298	630101893	/nfs/dbraw/zinc/10/18/93/630101893.db2.gz	ZJZWIJRFBZXAGG-UHFFFAOYSA-N	-1	0	287.344	2.540	20	30		CFEDRM
CC(=NNCC(C)(C)CO)c1ccc2ccccc2c1O	ZINC000799116842	630277231	/nfs/dbraw/zinc/27/72/31/630277231.db2.gz	MFRNORXWDKMJTD-UHFFFAOYSA-N	-1	0	286.375	2.878	20	30		CFEDRM
COCCCn1nccc1C=CC(=O)c1sccc1[O-]	ZINC000802706622	630538926	/nfs/dbraw/zinc/53/89/26/630538926.db2.gz	UDQDIVYKEGIQIJ-ONEGZZNKSA-N	-1	0	292.360	2.583	20	30		CFEDRM
C=CCOCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807837696	630912762	/nfs/dbraw/zinc/91/27/62/630912762.db2.gz	AMHCQYLMOIQTEL-UHFFFAOYSA-N	-1	0	290.146	2.518	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H]1SC	ZINC000807938737	630924223	/nfs/dbraw/zinc/92/42/23/630924223.db2.gz	HLJYIGJNDARUSZ-CHWSQXEVSA-N	-1	0	294.376	2.693	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@@H]1SC	ZINC000807943454	630924569	/nfs/dbraw/zinc/92/45/69/630924569.db2.gz	GSMOBKKOMUVNGI-OLZOCXBDSA-N	-1	0	294.376	2.693	20	30		CFEDRM
CC(=NNCC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000808006555	630940054	/nfs/dbraw/zinc/94/00/54/630940054.db2.gz	VQEIESRLHCSUSF-UHFFFAOYSA-N	-1	0	277.324	2.804	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1	ZINC000837042804	630943426	/nfs/dbraw/zinc/94/34/26/630943426.db2.gz	FXPJXDMRVMZACI-UHFFFAOYSA-N	-1	0	269.728	2.731	20	30		CFEDRM
N#Cc1nccnc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000808090032	630949356	/nfs/dbraw/zinc/94/93/56/630949356.db2.gz	PFPDMTOBDJRWFF-UHFFFAOYSA-N	-1	0	295.129	2.973	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCCC1=CCCCCC1	ZINC000837300403	630993004	/nfs/dbraw/zinc/99/30/04/630993004.db2.gz	VUMYKHYAHAGTRO-UHFFFAOYSA-N	-1	0	280.368	2.549	20	30		CFEDRM
O=C1OCc2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc21	ZINC000809145298	631089866	/nfs/dbraw/zinc/08/98/66/631089866.db2.gz	ZPLOSPMGRKRVLV-UHFFFAOYSA-N	-1	0	298.254	2.721	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1cccc(F)c1	ZINC000042243951	649996709	/nfs/dbraw/zinc/99/67/09/649996709.db2.gz	YEIZIKZFEWLGTA-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CC)CC1CCCC1	ZINC000840943144	631274167	/nfs/dbraw/zinc/27/41/67/631274167.db2.gz	FDGCLPQXGIKZDK-CYBMUJFWSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CC)Sc1ccccc1	ZINC000840943391	631275644	/nfs/dbraw/zinc/27/56/44/631275644.db2.gz	QJUBSBZUDPYOFV-ZDUSSCGKSA-N	-1	0	293.388	2.657	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc2c(cccc2C)s1	ZINC000840946752	631275648	/nfs/dbraw/zinc/27/56/48/631275648.db2.gz	SXACTELNUWCEQC-UHFFFAOYSA-N	-1	0	294.401	2.760	20	30		CFEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)c1cccnc1	ZINC000042323117	649997913	/nfs/dbraw/zinc/99/79/13/649997913.db2.gz	HZMABIILVNEDJR-UHFFFAOYSA-N	-1	0	282.365	2.697	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c(Cl)c1	ZINC000810534504	631383104	/nfs/dbraw/zinc/38/31/04/631383104.db2.gz	UXYVYUVGKJOHIE-SNVBAGLBSA-N	-1	0	292.766	2.706	20	30		CFEDRM
CCC(=NNc1cnnc([O-])c1Cl)[C@@H]1C[C@H]1C	ZINC000841617119	631432307	/nfs/dbraw/zinc/43/23/07/631432307.db2.gz	VMFKSXAGGHPRPV-RNFRBKRXSA-N	-1	0	254.721	2.670	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NNC(C)=C1CC1(F)F	ZINC000841633954	631438528	/nfs/dbraw/zinc/43/85/28/631438528.db2.gz	YQNQRLQLOYSQHH-SECBINFHSA-N	-1	0	284.262	2.836	20	30		CFEDRM
C#Cc1ccccc1CC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000810918143	631474945	/nfs/dbraw/zinc/47/49/45/631474945.db2.gz	BWPXMWSXDZRNLI-UHFFFAOYSA-N	-1	0	293.322	2.757	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)CC1	ZINC000810986213	631491185	/nfs/dbraw/zinc/49/11/85/631491185.db2.gz	QYFVJUCDMRUKDK-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
COC1(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)CCC1	ZINC000842034678	631508570	/nfs/dbraw/zinc/50/85/70/631508570.db2.gz	RJMVOYBBNSFTHS-UHFFFAOYSA-N	-1	0	291.395	2.911	20	30		CFEDRM
Cc1nnc(N=NC2CCC3(CCCC3)CC2)[n-]c1=O	ZINC000811632284	631589733	/nfs/dbraw/zinc/58/97/33/631589733.db2.gz	IUOKJYRHGITHDI-UHFFFAOYSA-N	-1	0	275.356	2.788	20	30		CFEDRM
C=CCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CC1	ZINC000811823685	631628085	/nfs/dbraw/zinc/62/80/85/631628085.db2.gz	UZOJOSCNFVQZID-UHFFFAOYSA-N	-1	0	279.723	2.829	20	30		CFEDRM
CCCON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000842565667	631664587	/nfs/dbraw/zinc/66/45/87/631664587.db2.gz	KLGQOWHWQCRWLG-UHFFFAOYSA-N	-1	0	258.661	2.714	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOC2CCC2)c1[O-]	ZINC000812235232	631673631	/nfs/dbraw/zinc/67/36/31/631673631.db2.gz	PRHBFQBLNNNHRQ-UHFFFAOYSA-N	-1	0	270.672	2.857	20	30		CFEDRM
CC(C)OCCON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000812238772	631675423	/nfs/dbraw/zinc/67/54/23/631675423.db2.gz	FUBNNLKPATYNHZ-AWEZNQCLSA-N	-1	0	291.347	2.794	20	30		CFEDRM
CC(C)OCCON=c1[n-]c(C(F)(F)F)ccc1C#N	ZINC000812488894	631726421	/nfs/dbraw/zinc/72/64/21/631726421.db2.gz	OMXDSWOVPJJBIW-UHFFFAOYSA-N	-1	0	289.257	2.741	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(C)=C(C)C2)CC1	ZINC000842798686	631744151	/nfs/dbraw/zinc/74/41/51/631744151.db2.gz	FEXHBRRYBLOZIQ-CYBMUJFWSA-N	-1	0	297.420	2.678	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl	ZINC000812783455	631774398	/nfs/dbraw/zinc/77/43/98/631774398.db2.gz	PXUMLSQNIBXALW-QMMMGPOBSA-N	-1	0	272.131	2.778	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1nc(C2CC2)cs1	ZINC000842940603	631788380	/nfs/dbraw/zinc/78/83/80/631788380.db2.gz	CRPKRWUZDVDBFW-NSHDSACASA-N	-1	0	274.345	2.891	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc(C2CC2)cs1	ZINC000842946554	631790331	/nfs/dbraw/zinc/79/03/31/631790331.db2.gz	WCODPIOAJRKGBJ-MVZIDQBPSA-N	-1	0	296.355	2.700	20	30		CFEDRM
CO[C@@H]1COC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000843264379	631913218	/nfs/dbraw/zinc/91/32/18/631913218.db2.gz	OHSGNURGVHHREV-YVOXEUBMSA-N	-1	0	290.146	2.532	20	30		CFEDRM
CCc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1O	ZINC000813500660	631927317	/nfs/dbraw/zinc/92/73/17/631927317.db2.gz	ISNOEYJZCFPKRY-UHFFFAOYSA-N	-1	0	282.299	2.784	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NOCCC2CC2)cc1)C(=O)[O-]	ZINC000814246217	632044369	/nfs/dbraw/zinc/04/43/69/632044369.db2.gz	WIPXSZRARMPKQJ-LLVKDONJSA-N	-1	0	277.320	2.689	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000843998910	632091245	/nfs/dbraw/zinc/09/12/45/632091245.db2.gz	IZLZTXGBGZWUNN-SNVBAGLBSA-N	-1	0	279.286	2.546	20	30		CFEDRM
Cc1cccc2c1OCC2=NNc1ccc(C(=O)[O-])cc1	ZINC000814680641	632106801	/nfs/dbraw/zinc/10/68/01/632106801.db2.gz	BETAJTAMCDOOKP-UHFFFAOYSA-N	-1	0	282.299	2.902	20	30		CFEDRM
CC(C)(C)c1ncc(C=NNc2ccc(C(=O)[O-])cc2)cn1	ZINC000814680765	632106904	/nfs/dbraw/zinc/10/69/04/632106904.db2.gz	HFHKPJYGQMNXSY-UHFFFAOYSA-N	-1	0	298.346	2.918	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccccc1[N+](=O)[O-]	ZINC000814685436	632107967	/nfs/dbraw/zinc/10/79/67/632107967.db2.gz	IIWDPZSQDZJYPF-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccccn1	ZINC000814731912	632115064	/nfs/dbraw/zinc/11/50/64/632115064.db2.gz	ORGJJTYPZOPINF-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
CC(N=Nc1ccccn1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814732024	632115090	/nfs/dbraw/zinc/11/50/90/632115090.db2.gz	ULQNZVXILWVAPA-GFCCVEGCSA-N	-1	0	299.330	2.770	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814751894	632118204	/nfs/dbraw/zinc/11/82/04/632118204.db2.gz	VUSQUDDAXBJHRC-WCQYABFASA-N	-1	0	260.337	2.653	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814763791	632120052	/nfs/dbraw/zinc/12/00/52/632120052.db2.gz	LNTRZCCYJHPLRQ-PWSUYJOCSA-N	-1	0	299.440	2.518	20	30		CFEDRM
COc1cccc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814776855	632121635	/nfs/dbraw/zinc/12/16/35/632121635.db2.gz	GKUXECDAKRJUNX-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
C#CCO[N-]C(=O)C(CC)(CC)COCc1ccccc1	ZINC000844142233	632125867	/nfs/dbraw/zinc/12/58/67/632125867.db2.gz	CJTQFZFQCWIAKA-UHFFFAOYSA-N	-1	0	289.375	2.691	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(C#N)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814803251	632127447	/nfs/dbraw/zinc/12/74/47/632127447.db2.gz	OIDDMTLOLYWSEN-ZYHUDNBSSA-N	-1	0	271.320	2.847	20	30		CFEDRM
C#Cc1cccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1	ZINC000844151716	632127770	/nfs/dbraw/zinc/12/77/70/632127770.db2.gz	GCKVEQKSXAHXOB-UHFFFAOYSA-N	-1	0	285.343	2.888	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(F)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814809011	632129538	/nfs/dbraw/zinc/12/95/38/632129538.db2.gz	WPAYGGWEWWIJCI-ONGXEEELSA-N	-1	0	296.317	2.931	20	30		CFEDRM
COc1ccc(CNN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814810830	632130167	/nfs/dbraw/zinc/13/01/67/632130167.db2.gz	IQUAFQVPVPSERS-AAEUAGOBSA-N	-1	0	290.363	2.662	20	30		CFEDRM
N#Cc1ccc(N=NC2CC(C(=O)[O-])C2)cc1C(F)(F)F	ZINC000814828516	632133578	/nfs/dbraw/zinc/13/35/78/632133578.db2.gz	HAOXJOQIYROLJN-UHFFFAOYSA-N	-1	0	297.236	2.840	20	30		CFEDRM
C[C@@H]1C(N=Nc2cnc3ccccc3n2)CC[C@H]1CC(=O)[O-]	ZINC000814830876	632133757	/nfs/dbraw/zinc/13/37/57/632133757.db2.gz	UOEQXEPLNPWKKG-QWRGUYRKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCc2ccc(F)cc2F)c1	ZINC000814830123	632133780	/nfs/dbraw/zinc/13/37/80/632133780.db2.gz	XXWIYGQUSUZCMN-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C[C@@H]2C)nc1	ZINC000814831910	632134536	/nfs/dbraw/zinc/13/45/36/632134536.db2.gz	WQZOHXPTRBGMHZ-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2cc(C(=O)[O-])cs2)c1	ZINC000814867612	632142068	/nfs/dbraw/zinc/14/20/68/632142068.db2.gz	LLFGDNJEVCGIPO-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
O=c1[n-]c(N=NC2CC[C@H]2C2CC2)nc2ccccc21	ZINC000814869092	632143016	/nfs/dbraw/zinc/14/30/16/632143016.db2.gz	ROSTUZLLEVICFG-JTQLQIEISA-N	-1	0	268.320	2.923	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814868310	632143473	/nfs/dbraw/zinc/14/34/73/632143473.db2.gz	ODMSTRJNSLWQKH-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CCCCCCC[C@@H](C)CNC(=O)C1(C(=O)[O-])CC1	ZINC000844248454	632145865	/nfs/dbraw/zinc/14/58/65/632145865.db2.gz	BNJPVPWKHVLXCL-GFCCVEGCSA-N	-1	0	269.385	2.964	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(C#N)cc1	ZINC000814882703	632147518	/nfs/dbraw/zinc/14/75/18/632147518.db2.gz	MNJKJSXAEGNGMA-BXUZGUMPSA-N	-1	0	285.347	2.525	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc(O)c2Cl)nc1	ZINC000814890308	632151013	/nfs/dbraw/zinc/15/10/13/632151013.db2.gz	KTOLWVFONXJPLG-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
COc1cccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)n1	ZINC000814900049	632155318	/nfs/dbraw/zinc/15/53/18/632155318.db2.gz	BEJMYHGGPVGKIR-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
COc1ccc(N=NC2CC(C(=O)[O-])C2)cc1Cl	ZINC000814902098	632156053	/nfs/dbraw/zinc/15/60/53/632156053.db2.gz	DYFIVQHGCFKSDP-UHFFFAOYSA-N	-1	0	268.700	2.611	20	30		CFEDRM
CC(N=NCC(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814904645	632157041	/nfs/dbraw/zinc/15/70/41/632157041.db2.gz	SQROBTLWMXEERS-MRVPVSSYSA-N	-1	0	268.279	2.795	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2c(F)cccc2Cl)c[nH]1	ZINC000814905543	632157904	/nfs/dbraw/zinc/15/79/04/632157904.db2.gz	YKUJYMXJAXPINU-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
CC(=NOC[C@H]1CCOC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814912516	632161741	/nfs/dbraw/zinc/16/17/41/632161741.db2.gz	VTZZARHFYBEFGE-AAEUAGOBSA-N	-1	0	271.357	2.697	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCCc1ccncc1	ZINC000814924706	632167121	/nfs/dbraw/zinc/16/71/21/632167121.db2.gz	YGAYZYPDPZPZSO-UHFFFAOYSA-N	-1	0	297.358	2.563	20	30		CFEDRM
CC(C)OCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814936708	632173354	/nfs/dbraw/zinc/17/33/54/632173354.db2.gz	GOLINGYGFVBMTG-NWDGAFQWSA-N	-1	0	285.384	2.941	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOC1CCC1	ZINC000814936375	632173591	/nfs/dbraw/zinc/17/35/91/632173591.db2.gz	OILUSKNAQVSBQW-UHFFFAOYSA-N	-1	0	259.305	2.994	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2cc(F)cc(F)c2)C1)C(=O)[O-]	ZINC000814937586	632174300	/nfs/dbraw/zinc/17/43/00/632174300.db2.gz	LTTPJRJDBWDUMK-WCRCJTMVSA-N	-1	0	282.290	2.651	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@H]1c1ccc(Cl)cc1	ZINC000814958701	632179544	/nfs/dbraw/zinc/17/95/44/632179544.db2.gz	LSNJJYRZSHDFCU-NSHDSACASA-N	-1	0	266.728	2.638	20	30		CFEDRM
C=C(C)CON=C(O)N=c1nc(SCCC)[n-]s1	ZINC000844556674	632245424	/nfs/dbraw/zinc/24/54/24/632245424.db2.gz	BKASZZIWKDVGIO-UHFFFAOYSA-N	-1	0	288.398	2.669	20	30		CFEDRM
C=C(C)CON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000844618164	632264355	/nfs/dbraw/zinc/26/43/55/632264355.db2.gz	KFQRXKRQWWXGSU-UHFFFAOYSA-N	-1	0	262.309	2.713	20	30		CFEDRM
CCC[C@@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844622220	632265960	/nfs/dbraw/zinc/26/59/60/632265960.db2.gz	AESGDMCZFZQJIB-NSHDSACASA-N	-1	0	264.325	2.906	20	30		CFEDRM
Cc1c(N=NC2CCCOCC2)cccc1C(=O)[O-]	ZINC000844622713	632266794	/nfs/dbraw/zinc/26/67/94/632266794.db2.gz	BZNVDOHQNVASKV-UHFFFAOYSA-N	-1	0	262.309	2.662	20	30		CFEDRM
CSC1(CN=Nc2cccc(C(=O)[O-])c2C)CC1	ZINC000844623096	632266809	/nfs/dbraw/zinc/26/68/09/632266809.db2.gz	KLLZDSWXUMHCAM-UHFFFAOYSA-N	-1	0	264.350	2.987	20	30		CFEDRM
Cc1c(N=NC2CO[C@@H](C)[C@H]2C)cccc1C(=O)[O-]	ZINC000844622512	632267112	/nfs/dbraw/zinc/26/71/12/632267112.db2.gz	FDVZCGRXJXTSES-SCZZXKLOSA-N	-1	0	262.309	2.516	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624114	632267617	/nfs/dbraw/zinc/26/76/17/632267617.db2.gz	VAYKGOOYIVUXDE-LBPRGKRZSA-N	-1	0	264.350	2.987	20	30		CFEDRM
Cc1nsc(C)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815878008	632327828	/nfs/dbraw/zinc/32/78/28/632327828.db2.gz	PBFYLFLACUWQHR-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
Cc1c[nH]cc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845836654	632577462	/nfs/dbraw/zinc/57/74/62/632577462.db2.gz	BHRUKWXOGFVTGO-CQSZACIVSA-N	-1	0	292.338	2.947	20	30		CFEDRM
CC[C@H](NN=C(C)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000817328748	632604264	/nfs/dbraw/zinc/60/42/64/632604264.db2.gz	MVGBTVAFHSLJGU-LBPRGKRZSA-N	-1	0	286.734	2.850	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000817457781	632641008	/nfs/dbraw/zinc/64/10/08/632641008.db2.gz	XJEMHYFPXHQPOM-UHFFFAOYSA-N	-1	0	285.347	2.668	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(C)cc1Cl	ZINC000846157790	632649452	/nfs/dbraw/zinc/64/94/52/632649452.db2.gz	XGKMQWNXFWETFD-SNVBAGLBSA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Oc1ccccc1F	ZINC000846537239	632726581	/nfs/dbraw/zinc/72/65/81/632726581.db2.gz	JBARTACFPMPFDB-GFCCVEGCSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1SCCc2sccc21	ZINC000846537885	632727657	/nfs/dbraw/zinc/72/76/57/632727657.db2.gz	PZOGWDBVFCFRAZ-LLVKDONJSA-N	-1	0	269.391	2.702	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cccc(C(F)(F)F)c1	ZINC000846541189	632729761	/nfs/dbraw/zinc/72/97/61/632729761.db2.gz	PXXDYQSWQCLJJT-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cccc(C(F)(F)F)c1	ZINC000846541069	632730090	/nfs/dbraw/zinc/73/00/90/632730090.db2.gz	CQVSINIMMZSLOT-VIFPVBQESA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(/C=C\C)cc1OC	ZINC000846542046	632730643	/nfs/dbraw/zinc/73/06/43/632730643.db2.gz	SKSVELXTJPJXCC-SMYYYNMVSA-N	-1	0	291.347	2.729	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccccc1C(C)C	ZINC000846542018	632730951	/nfs/dbraw/zinc/73/09/51/632730951.db2.gz	RUMSLMHBYOAWJX-LBPRGKRZSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccccc1Cl	ZINC000846542773	632732160	/nfs/dbraw/zinc/73/21/60/632732160.db2.gz	BUARELNDAXEDQJ-VHSXEESVSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000846547615	632736188	/nfs/dbraw/zinc/73/61/88/632736188.db2.gz	BBSBENRTHPJSAD-SWLSCSKDSA-N	-1	0	288.347	2.584	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1CCCC[C@H]1CC	ZINC000846549062	632737297	/nfs/dbraw/zinc/73/72/97/632737297.db2.gz	MSIRVVGIODHHGX-YNEHKIRRSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1OC	ZINC000846551801	632739270	/nfs/dbraw/zinc/73/92/70/632739270.db2.gz	XMRBEQYXXNTUDQ-LLVKDONJSA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1OC	ZINC000846551802	632739536	/nfs/dbraw/zinc/73/95/36/632739536.db2.gz	XMRBEQYXXNTUDQ-NSHDSACASA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)COCc1ccccc1	ZINC000846552994	632740558	/nfs/dbraw/zinc/74/05/58/632740558.db2.gz	VACWCUISVGQVRQ-CYBMUJFWSA-N	-1	0	277.364	2.852	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](OC(C)C)c1ccccc1	ZINC000846553137	632740868	/nfs/dbraw/zinc/74/08/68/632740868.db2.gz	YFVLNISRAPQIFQ-OCCSQVGLSA-N	-1	0	263.337	2.775	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2C2CCC2)c1	ZINC000818991757	632925197	/nfs/dbraw/zinc/92/51/97/632925197.db2.gz	IYXVDNIPJNITAE-RLCQEZNLSA-N	-1	0	260.293	2.908	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCCOC1	ZINC000848413695	633252299	/nfs/dbraw/zinc/25/22/99/633252299.db2.gz	CHQPLEUVDCCELU-ZDUSSCGKSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C12CCC2	ZINC000848413978	633252610	/nfs/dbraw/zinc/25/26/10/633252610.db2.gz	GTZAGAPIFPDDPL-CQSZACIVSA-N	-1	0	288.347	2.671	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCCSC2)cc1	ZINC000848414034	633252793	/nfs/dbraw/zinc/25/27/93/633252793.db2.gz	HYDVEKNDKSMLPN-UHFFFAOYSA-N	-1	0	264.350	2.609	20	30		CFEDRM
N#C[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414327	633253234	/nfs/dbraw/zinc/25/32/34/633253234.db2.gz	LXXVUWXEULBLMS-LBPRGKRZSA-N	-1	0	271.320	2.795	20	30		CFEDRM
CCn1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000849171726	633578896	/nfs/dbraw/zinc/57/88/96/633578896.db2.gz	FGTWYMHSGOITQG-PJQLUOCWSA-N	-1	0	299.161	2.930	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1cc(F)ccc1[O-]	ZINC000849245747	633589391	/nfs/dbraw/zinc/58/93/91/633589391.db2.gz	CAZIOMJQDKCAFA-ALCCZGGFSA-N	-1	0	287.294	2.744	20	30		CFEDRM
C#CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000849348110	633625225	/nfs/dbraw/zinc/62/52/25/633625225.db2.gz	IMVGVGCSYDDCNV-NSHDSACASA-N	-1	0	288.303	2.533	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21	ZINC000850898480	634127350	/nfs/dbraw/zinc/12/73/50/634127350.db2.gz	HLXPAJXXHDQTNZ-RFQIPJPRSA-N	-1	0	299.374	2.528	20	30		CFEDRM
CCON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853286012	634958191	/nfs/dbraw/zinc/95/81/91/634958191.db2.gz	GNQXAWWOKYQPJR-UHFFFAOYSA-N	-1	0	265.309	2.933	20	30		CFEDRM
CC[C@@H](NN=C1CCC(C2CCC2)CC1)C(=O)[O-]	ZINC000853349253	634979535	/nfs/dbraw/zinc/97/95/35/634979535.db2.gz	WKNKZOGDOZYJMX-GLGOKHISSA-N	-1	0	252.358	2.786	20	30		CFEDRM
CC(=NOCC1CCC1)c1cccc(OCC(=O)[O-])c1	ZINC000853439204	634999688	/nfs/dbraw/zinc/99/96/88/634999688.db2.gz	APTXHMXHQJROLM-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NOCC2CCC2)c1	ZINC000853439645	635000422	/nfs/dbraw/zinc/00/04/22/635000422.db2.gz	KUMOROCCBCCSJB-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cc(C)ccc1Cl	ZINC000856029063	635704366	/nfs/dbraw/zinc/70/43/66/635704366.db2.gz	YFMYAGFDGFKJMZ-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1	ZINC000856030596	635705132	/nfs/dbraw/zinc/70/51/32/635705132.db2.gz	JJQFXEBKZVXTFS-NSHDSACASA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccccc1C(F)(F)F	ZINC000856029808	635705156	/nfs/dbraw/zinc/70/51/56/635705156.db2.gz	DVZYWJXRHBUDEX-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C)cc2)CCOCC1	ZINC000856031994	635706280	/nfs/dbraw/zinc/70/62/80/635706280.db2.gz	GOQCBNNEIDOMFF-UHFFFAOYSA-N	-1	0	289.375	2.667	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000856030886	635706691	/nfs/dbraw/zinc/70/66/91/635706691.db2.gz	VLDDYZVTAVZIRT-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)OC1CCCCCC1	ZINC000856032770	635707823	/nfs/dbraw/zinc/70/78/23/635707823.db2.gz	PXLKCHBNGSYZFN-GFCCVEGCSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)c1cccs1)C(=O)[O-]	ZINC000856926229	635886173	/nfs/dbraw/zinc/88/61/73/635886173.db2.gz	RMOPXCZKLDDAFN-PBQZMEPESA-N	-1	0	279.361	2.687	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CC=CCC1	ZINC000046708797	650221804	/nfs/dbraw/zinc/22/18/04/650221804.db2.gz	FVFFBGLYAKJKAU-NSHDSACASA-N	-1	0	265.334	2.688	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21	ZINC000048564715	650271026	/nfs/dbraw/zinc/27/10/26/650271026.db2.gz	HQCZILPMUXCOPG-UHFFFAOYSA-N	-1	0	292.360	2.989	20	30		CFEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869970	650281303	/nfs/dbraw/zinc/28/13/03/650281303.db2.gz	KNLQSFUREPWAQY-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000049004122	650285359	/nfs/dbraw/zinc/28/53/59/650285359.db2.gz	NQFRWPCFRFKOQG-OCHBPSSRSA-N	-1	0	297.376	2.759	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000861809431	637239302	/nfs/dbraw/zinc/23/93/02/637239302.db2.gz	RLLYNUJFYKZVEQ-GFCCVEGCSA-N	-1	0	274.364	2.930	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)OCc1ccccc1C	ZINC000862133422	637278290	/nfs/dbraw/zinc/27/82/90/637278290.db2.gz	ZQGCZGMYJHKAFZ-QWHCGFSZSA-N	-1	0	263.337	2.522	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)OCc1ccc(C)cc1	ZINC000862132255	637278705	/nfs/dbraw/zinc/27/87/05/637278705.db2.gz	BVYNMLIRQDWQAQ-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000862573768	637439509	/nfs/dbraw/zinc/43/95/09/637439509.db2.gz	DRCWBKKRJRDTTF-SNVBAGLBSA-N	-1	0	286.356	2.602	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H]2CCc3ccccc3C2)n1	ZINC000863062971	637546153	/nfs/dbraw/zinc/54/61/53/637546153.db2.gz	KMFNMWJGTGLASU-GFCCVEGCSA-N	-1	0	282.347	2.693	20	30		CFEDRM
C=CCCCCCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864152304	637893887	/nfs/dbraw/zinc/89/38/87/637893887.db2.gz	CQIPCYQCYMOMIY-CSKARUKUSA-N	-1	0	277.320	2.854	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000864174693	637901893	/nfs/dbraw/zinc/90/18/93/637901893.db2.gz	KXFMGWZUDQOMSV-KGLIPLIRSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000864182555	637906720	/nfs/dbraw/zinc/90/67/20/637906720.db2.gz	AGMZUSDSNVTUGC-SKDRFNHKSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000864185010	637907340	/nfs/dbraw/zinc/90/73/40/637907340.db2.gz	UXTAZBNXDJRREW-QEHWCHDUSA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000864185815	637907620	/nfs/dbraw/zinc/90/76/20/637907620.db2.gz	CPXJZJCTNUNLQT-UTUOFQBUSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000864186765	637908111	/nfs/dbraw/zinc/90/81/11/637908111.db2.gz	XEGQKXXZEKMAJD-LLVKDONJSA-N	-1	0	299.729	2.768	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)c1ccccc1)C(=O)[O-]	ZINC000864187258	637908127	/nfs/dbraw/zinc/90/81/27/637908127.db2.gz	HQIWBBZWYAUWSS-IEZBTEQYSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccoc1CCC)C(=O)[O-]	ZINC000864186518	637908227	/nfs/dbraw/zinc/90/82/27/637908227.db2.gz	REUAGUUTVGBTCX-SNVBAGLBSA-N	-1	0	285.727	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000864188745	637909466	/nfs/dbraw/zinc/90/94/66/637909466.db2.gz	KGXFKUUQHXUESN-UTUOFQBUSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000864519013	638009784	/nfs/dbraw/zinc/00/97/84/638009784.db2.gz	ASGZWHKJSUKVJE-VIFPVBQESA-N	-1	0	288.800	2.952	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1=COCCC1	ZINC000076760736	650401825	/nfs/dbraw/zinc/40/18/25/650401825.db2.gz	IAOFPCGOHIKQHJ-CSKARUKUSA-N	-1	0	293.344	2.638	20	30		CFEDRM
Cc1scc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000865214311	638225372	/nfs/dbraw/zinc/22/53/72/638225372.db2.gz	QTUMQANMDDJQLN-ISZGNANSSA-N	-1	0	290.340	2.593	20	30		CFEDRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCC1	ZINC000076807640	650405136	/nfs/dbraw/zinc/40/51/36/650405136.db2.gz	KUYMUVVQPFTXER-UHFFFAOYSA-N	-1	0	296.392	2.510	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880239	650458701	/nfs/dbraw/zinc/45/87/01/650458701.db2.gz	JIKMQPFMIYLROI-UWVGGRQHSA-N	-1	0	287.406	2.785	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)c1	ZINC000077940400	650464847	/nfs/dbraw/zinc/46/48/47/650464847.db2.gz	QQDLNKGJIBZQOZ-UHFFFAOYSA-N	-1	0	265.334	2.606	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](CC)c1ccc(C)cc1	ZINC000191271336	650487048	/nfs/dbraw/zinc/48/70/48/650487048.db2.gz	WKCXQNHISIZVFY-AWEZNQCLSA-N	-1	0	289.375	2.978	20	30		CFEDRM
C[C@H]1CCC[C@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689744	639772732	/nfs/dbraw/zinc/77/27/32/639772732.db2.gz	AURYCSNTINSYIM-NHYWBVRUSA-N	-1	0	258.321	2.795	20	30		CFEDRM
CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691193	639773469	/nfs/dbraw/zinc/77/34/69/639773469.db2.gz	GWEOOJNBXLDAPV-DZGCQCFKSA-N	-1	0	258.321	2.650	20	30		CFEDRM
CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691195	639773765	/nfs/dbraw/zinc/77/37/65/639773765.db2.gz	GWEOOJNBXLDAPV-UKRRQHHQSA-N	-1	0	258.321	2.650	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C2(C3CCC3)CCC2)c1	ZINC000870690564	639773830	/nfs/dbraw/zinc/77/38/30/639773830.db2.gz	QVXVLGZLIPDYEK-UHFFFAOYSA-N	-1	0	270.332	2.939	20	30		CFEDRM
C#CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCC1	ZINC000870691424	639774792	/nfs/dbraw/zinc/77/47/92/639774792.db2.gz	KRMXPFFGEAULKD-UHFFFAOYSA-N	-1	0	282.343	2.942	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000192171741	650544925	/nfs/dbraw/zinc/54/49/25/650544925.db2.gz	WDYCGMCCLAQLFH-UHFFFAOYSA-N	-1	0	260.318	2.859	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000192913174	650608554	/nfs/dbraw/zinc/60/85/54/650608554.db2.gz	FUUGHIFZRFZQKX-CHWSQXEVSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCC(C)(C)CC	ZINC000870813393	641085376	/nfs/dbraw/zinc/08/53/76/641085376.db2.gz	LVNOVGAHNYQNRO-UHFFFAOYSA-N	-1	0	289.441	2.861	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](CC)C(C)(C)C)CC1	ZINC000870839053	641091362	/nfs/dbraw/zinc/09/13/62/641091362.db2.gz	DSBKALYDDDWXPB-NSHDSACASA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCCCC2)CC1	ZINC000870833086	641091819	/nfs/dbraw/zinc/09/18/19/641091819.db2.gz	WHURDFJXESTVPP-LBPRGKRZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C=C(CCC)CCC)CC1	ZINC000870835076	641092035	/nfs/dbraw/zinc/09/20/35/641092035.db2.gz	AWPVDYIRXBQQQV-UHFFFAOYSA-N	-1	0	285.409	2.678	20	30		CFEDRM
CCC(CCC(F)(F)F)=NN[C@H](CC)C(=O)[O-]	ZINC000872377220	641780527	/nfs/dbraw/zinc/78/05/27/641780527.db2.gz	YFMFVPRJVPTJDA-MRVPVSSYSA-N	-1	0	254.252	2.548	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2c(ccnc2Cl)s1)C(=O)[O-]	ZINC000872377010	641780870	/nfs/dbraw/zinc/78/08/70/641780870.db2.gz	WSWVDRJHTFGGQP-SECBINFHSA-N	-1	0	297.767	2.736	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000872739556	641918032	/nfs/dbraw/zinc/91/80/32/641918032.db2.gz	DXFZTWMTVXEHLW-ZNMIVQPWSA-N	-1	0	287.359	2.921	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C[C@H](C)CC(=O)[O-]	ZINC000872751312	641921058	/nfs/dbraw/zinc/92/10/58/641921058.db2.gz	AYMMZAQHZCTWCD-NSHDSACASA-N	-1	0	255.358	2.596	20	30		CFEDRM
C#CC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccccc1	ZINC000872851904	641951508	/nfs/dbraw/zinc/95/15/08/641951508.db2.gz	IHRMDNWRCAGVLG-AWEZNQCLSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1cccc(C#N)c1	ZINC000872850425	641951834	/nfs/dbraw/zinc/95/18/34/641951834.db2.gz	SZAIKJVHEOERIF-NSHDSACASA-N	-1	0	298.342	2.691	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000872936195	641966746	/nfs/dbraw/zinc/96/67/46/641966746.db2.gz	WSXAUPLTKGTKAV-AWEZNQCLSA-N	-1	0	287.787	2.916	20	30		CFEDRM
C=CCN(C(=O)C(C)(C)SCC(=O)[O-])c1ccccc1	ZINC000872989003	641978711	/nfs/dbraw/zinc/97/87/11/641978711.db2.gz	KVZJRYRFEAJBET-UHFFFAOYSA-N	-1	0	293.388	2.802	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000873002128	641982039	/nfs/dbraw/zinc/98/20/39/641982039.db2.gz	ANHQUCHGZWQPGF-HNNXBMFYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
CCCCOCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000194853934	650731290	/nfs/dbraw/zinc/73/12/90/650731290.db2.gz	XMZMBBLFLOCPFR-GXDHUFHOSA-N	-1	0	266.297	2.536	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)NCCCCC(=O)[O-]	ZINC000874404303	642380036	/nfs/dbraw/zinc/38/00/36/642380036.db2.gz	HKJCSHJMGSUTGQ-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000874419966	642381886	/nfs/dbraw/zinc/38/18/86/642381886.db2.gz	GYRFGYHAQBMUQX-UHFFFAOYSA-N	-1	0	296.411	2.875	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]Oc2ccccc2F)CC12CCCC2	ZINC000874911321	642550182	/nfs/dbraw/zinc/55/01/82/642550182.db2.gz	RFQVBYROCBLPJI-HNNXBMFYSA-N	-1	0	274.295	2.710	20	30		CFEDRM
N#Cc1c(F)cccc1-c1ccc(OCC(=O)[O-])c(C=O)c1	ZINC000874970756	642567885	/nfs/dbraw/zinc/56/78/85/642567885.db2.gz	ZJSQGNPHUDVOCC-UHFFFAOYSA-N	-1	0	299.257	2.640	20	30		CFEDRM
O=C(CCc1cccs1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055386	650794696	/nfs/dbraw/zinc/79/46/96/650794696.db2.gz	NWMOLWHGFGJXHD-UHFFFAOYSA-N	-1	0	287.406	2.910	20	30		CFEDRM
CC[C@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000087509927	650803850	/nfs/dbraw/zinc/80/38/50/650803850.db2.gz	REPFCXXHRIKIDB-MRVPVSSYSA-N	-1	0	252.701	2.734	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)CCO[C@H](C)CC(C)C	ZINC000088815178	650821758	/nfs/dbraw/zinc/82/17/58/650821758.db2.gz	CUQNRUOXLBSXFW-LLVKDONJSA-N	-1	0	279.402	2.524	20	30		CFEDRM
C=CCC[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCC	ZINC000877572111	643370197	/nfs/dbraw/zinc/37/01/97/643370197.db2.gz	MWFJPOKFGKCQMG-GFCCVEGCSA-N	-1	0	299.317	2.658	20	30		CFEDRM
C[C@H](CC#N)NCc1cc(=O)oc2cc([O-])c(Cl)cc12	ZINC000878820871	644039488	/nfs/dbraw/zinc/03/94/88/644039488.db2.gz	OVZLHYZFVHQYNY-MRVPVSSYSA-N	-1	0	292.722	2.544	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127866496	644341695	/nfs/dbraw/zinc/34/16/95/644341695.db2.gz	LIMGJJGHQAVZBB-HNNXBMFYSA-N	-1	0	294.310	2.548	20	30		CFEDRM
C#CCO[N-]C(=O)Cc1csc([C@H]2CC[C@H](C)CC2)n1	ZINC000880079007	644524870	/nfs/dbraw/zinc/52/48/70/644524870.db2.gz	JYVCEHWOWVXRBZ-HAQNSBGRSA-N	-1	0	292.404	2.660	20	30		CFEDRM
CC1(C)CC[C@H](CC(=O)[N-]Oc2cccc(C#N)c2)OC1	ZINC000881299512	644946019	/nfs/dbraw/zinc/94/60/19/644946019.db2.gz	MZFOZZPUPFGTBY-CYBMUJFWSA-N	-1	0	288.347	2.564	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(O)cc1	ZINC000129507342	645241124	/nfs/dbraw/zinc/24/11/24/645241124.db2.gz	GINNFIRKVOBCLJ-KRXBUXKQSA-N	-1	0	285.255	2.902	20	30		CFEDRM
N#Cc1cc2ccccc2nc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097065976	651013734	/nfs/dbraw/zinc/01/37/34/651013734.db2.gz	KYZMAGXLLOYAQH-YPMHNXCESA-N	-1	0	281.315	2.772	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC(=O)[O-])C1CC1	ZINC000135247229	646497417	/nfs/dbraw/zinc/49/74/17/646497417.db2.gz	XDXKNHGELRTSQD-GFCCVEGCSA-N	-1	0	255.358	2.716	20	30		CFEDRM
C#CCC1(NC(=O)c2ccc([O-])c(Cl)c2)CCC1	ZINC000886787779	647136754	/nfs/dbraw/zinc/13/67/54/647136754.db2.gz	DQNMSSNOSKTBHR-UHFFFAOYSA-N	-1	0	263.724	2.721	20	30		CFEDRM
N#Cc1nc(N2CCCC[C@H]2CC(=O)[O-])sc1Cl	ZINC000886914159	647173660	/nfs/dbraw/zinc/17/36/60/647173660.db2.gz	RAVARLUGUVKCGR-ZETCQYMHSA-N	-1	0	285.756	2.502	20	30		CFEDRM
CC(C)[C@H]1CCc2[n-]n(-c3ccc(C#N)cn3)c(=O)c2C1	ZINC000887295200	647262697	/nfs/dbraw/zinc/26/26/97/647262697.db2.gz	ZRWBYSDDVWBTOX-QWHCGFSZSA-N	-1	0	282.347	2.728	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000887326462	647272289	/nfs/dbraw/zinc/27/22/89/647272289.db2.gz	CPIHONLWRSFIIJ-UHFFFAOYSA-N	-1	0	261.321	2.707	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000302459667	647408052	/nfs/dbraw/zinc/40/80/52/647408052.db2.gz	DRKZNSNOKIRHDI-STQMWFEESA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=CCC1(O)CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000924433917	647981041	/nfs/dbraw/zinc/98/10/41/647981041.db2.gz	BPEYTZSIEPUCJW-UHFFFAOYSA-N	-1	0	295.766	2.589	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](CCC)c1ccccc1	ZINC000929026877	648974297	/nfs/dbraw/zinc/97/42/97/648974297.db2.gz	VHSCIWCQPTUXIP-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243511492	782247263	/nfs/dbraw/zinc/24/72/63/782247263.db2.gz	CRXDZRLLZNYORZ-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(Cl)c([O-])c2)c1	ZINC001243576495	782286762	/nfs/dbraw/zinc/28/67/62/782286762.db2.gz	PLOLAQMFYAASFL-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
CN(CC#N)Cc1cc(Cl)c([O-])c(Br)c1	ZINC001231748949	777323094	/nfs/dbraw/zinc/32/30/94/777323094.db2.gz	SKULEQBZXFJKCS-UHFFFAOYSA-N	-1	0	289.560	2.763	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240840	776762701	/nfs/dbraw/zinc/76/27/01/776762701.db2.gz	YRBZOYUSCRKIOX-JQWIXIFHSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1n[n-]c(=O)cc1Cl	ZINC001233589782	778000115	/nfs/dbraw/zinc/00/01/15/778000115.db2.gz	MSPOAUROKMXSRV-LURJTMIESA-N	-1	0	262.762	2.701	20	30		CFEDRM
N#Cc1cc(Nc2ccc3[nH]nc(N)c3c2)c([O-])cc1F	ZINC001209861376	770146079	/nfs/dbraw/zinc/14/60/79/770146079.db2.gz	CECMYSUMLUPZDD-UHFFFAOYSA-N	-1	0	283.266	2.605	20	30		CFEDRM
Cc1cc(Nc2cc(F)cc(C(=O)[O-])c2)cnc1C#N	ZINC001209887652	770157451	/nfs/dbraw/zinc/15/74/51/770157451.db2.gz	JSPOFAIXJKCWAZ-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
N#Cc1ccccc1[N-]c1nnc(-c2ccco2)o1	ZINC001210734783	770355809	/nfs/dbraw/zinc/35/58/09/770355809.db2.gz	OYRXOMUIFQDFNA-UHFFFAOYSA-N	-1	0	252.233	2.945	20	30		CFEDRM
N#Cc1ccccc1Nc1cccc(S(=O)(=O)[O-])c1	ZINC001210739844	770356963	/nfs/dbraw/zinc/35/69/63/770356963.db2.gz	MNRWCAINBSKSTJ-UHFFFAOYSA-N	-1	0	274.301	2.549	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cl)cn2)c1	ZINC000588384503	770462807	/nfs/dbraw/zinc/46/28/07/770462807.db2.gz	LMUIQBPTOCXDKI-UUASQNMZSA-N	-1	0	291.694	2.968	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cc(F)c([O-])cc3F)cn12	ZINC001211353487	770488853	/nfs/dbraw/zinc/48/88/53/770488853.db2.gz	WWFVCHXQMCXBSL-UHFFFAOYSA-N	-1	0	271.226	2.857	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@H]2CCCCO2)c1	ZINC000588409926	770555502	/nfs/dbraw/zinc/55/55/02/770555502.db2.gz	MRYVMEQOHXSSHQ-NWFCWYBLSA-N	-1	0	278.308	2.679	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(O)ccc3C2=O)cc1	ZINC000588534987	770950794	/nfs/dbraw/zinc/95/07/94/770950794.db2.gz	HOHHINICBYAWNN-NTUHNPAUSA-N	-1	0	280.279	2.913	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cccnc2)cc1CC(=O)[O-]	ZINC000211839563	770983958	/nfs/dbraw/zinc/98/39/58/770983958.db2.gz	UWWUYDDPPHMWGC-XQRVVYSFSA-N	-1	0	297.310	2.613	20	30		CFEDRM
CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000588611150	775278921	/nfs/dbraw/zinc/27/89/21/775278921.db2.gz	XSVNRDKCLUGTBB-LUAWRHEFSA-N	-1	0	294.358	2.577	20	30		CFEDRM
C=C[C@H](CCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019632	775338907	/nfs/dbraw/zinc/33/89/07/775338907.db2.gz	ZDRUQPSULMHNTI-LLVKDONJSA-N	-1	0	250.275	2.706	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225490529	775478541	/nfs/dbraw/zinc/47/85/41/775478541.db2.gz	IWPAOMZEHUVXSS-SNVBAGLBSA-N	-1	0	279.368	2.949	20	30		CFEDRM
C=C[C@@H](CCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517937	775489158	/nfs/dbraw/zinc/48/91/58/775489158.db2.gz	OUOYBGACWOMUCO-JTQLQIEISA-N	-1	0	256.323	2.667	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225619979	775526679	/nfs/dbraw/zinc/52/66/79/775526679.db2.gz	LYQOGHDSEDMXLL-JTQLQIEISA-N	-1	0	279.368	2.949	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(=C)C	ZINC001225664307	775546537	/nfs/dbraw/zinc/54/65/37/775546537.db2.gz	MYJLVWDJKBFMEP-LLVKDONJSA-N	-1	0	264.281	2.985	20	30		CFEDRM
C=CC[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(C)C	ZINC001225664689	775547089	/nfs/dbraw/zinc/54/70/89/775547089.db2.gz	RGZCAMVJMUWLBR-SNVBAGLBSA-N	-1	0	252.270	2.675	20	30		CFEDRM
CC1=C(Oc2c(F)c(F)c([O-])c(F)c2F)C(=O)[C@H](C)O1	ZINC001225878501	775621387	/nfs/dbraw/zinc/62/13/87/775621387.db2.gz	CUNJGBYRZGYDEG-VKHMYHEASA-N	-1	0	292.184	2.547	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)ncc2F)C(C)(C)O1	ZINC001225884670	775623886	/nfs/dbraw/zinc/62/38/86/775623886.db2.gz	HWWURAODLNFYHK-IINYFYTJSA-N	-1	0	282.315	2.602	20	30		CFEDRM
C=CC[C@H](C=C)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225978732	775654653	/nfs/dbraw/zinc/65/46/53/775654653.db2.gz	XIQYHGLFPRFVBY-ZETCQYMHSA-N	-1	0	260.215	2.711	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCC(=O)c2ccccc21	ZINC001226008466	775665812	/nfs/dbraw/zinc/66/58/12/775665812.db2.gz	HLIQRRDONHAJJC-CQSZACIVSA-N	-1	0	298.273	2.895	20	30		CFEDRM
C[C@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226012770	775667231	/nfs/dbraw/zinc/66/72/31/775667231.db2.gz	FLAIXIXVHOKSFS-GZMMTYOYSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccnc1Cl	ZINC001226012734	775667782	/nfs/dbraw/zinc/66/77/82/775667782.db2.gz	DDZCFTJQUJGEDN-SSDOTTSWSA-N	-1	0	293.685	2.986	20	30		CFEDRM
N#Cc1c(O[C@@H]2C=CCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226067598	775687199	/nfs/dbraw/zinc/68/71/99/775687199.db2.gz	IBRAKJLZPUYYAQ-SSDOTTSWSA-N	-1	0	270.210	2.775	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)Cc2ccccc2)c1C#N	ZINC001226222348	775741288	/nfs/dbraw/zinc/74/12/88/775741288.db2.gz	YHRMQHWDHMAZHW-LBPRGKRZSA-N	-1	0	268.316	2.977	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221181	775741657	/nfs/dbraw/zinc/74/16/57/775741657.db2.gz	IHLSMOILVXOMRK-LBPRGKRZSA-N	-1	0	258.321	2.928	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCCc3cccnc32)c1C#N	ZINC001226222215	775741720	/nfs/dbraw/zinc/74/17/20/775741720.db2.gz	WEVGFIKOCOFZEP-ZDUSSCGKSA-N	-1	0	281.315	2.819	20	30		CFEDRM
CCCC(=O)[C@@H](CCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221594	775741751	/nfs/dbraw/zinc/74/17/51/775741751.db2.gz	NDBBOHNDKHROPF-CYBMUJFWSA-N	-1	0	276.336	2.884	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCCC[C@@H]2F)c1C#N	ZINC001226223358	775742480	/nfs/dbraw/zinc/74/24/80/775742480.db2.gz	OUDSKUHRHAPETC-WDEREUQCSA-N	-1	0	250.273	2.627	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2C#N)c1C#N	ZINC001226223206	775742587	/nfs/dbraw/zinc/74/25/87/775742587.db2.gz	MNJJUCUGSAJDPX-LLVKDONJSA-N	-1	0	279.299	2.979	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226331676	775783088	/nfs/dbraw/zinc/78/30/88/775783088.db2.gz	NCAKRCJXIATFJU-VIFPVBQESA-N	-1	0	267.285	2.604	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1nc(=O)[n-]cc1[N+](=O)[O-]	ZINC001226335091	775784055	/nfs/dbraw/zinc/78/40/55/775784055.db2.gz	CQEIELFUYYSBOW-VIFPVBQESA-N	-1	0	267.285	2.604	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2F)O1	ZINC001226423081	775815986	/nfs/dbraw/zinc/81/59/86/775815986.db2.gz	DNOBSBJIGHWQME-BONVTDFDSA-N	-1	0	296.342	2.911	20	30		CFEDRM
C=C[C@H](Oc1nc(C)[n-]c(=O)c1F)c1ccccc1	ZINC001226425018	775818524	/nfs/dbraw/zinc/81/85/24/775818524.db2.gz	UECHUZBTJMINSP-NSHDSACASA-N	-1	0	260.268	2.936	20	30		CFEDRM
Cc1nc(C#N)c(Nc2ccc(C(=O)[O-])c(C)c2)o1	ZINC001211653001	775960113	/nfs/dbraw/zinc/96/01/13/775960113.db2.gz	VZOXNRDYLKZTTN-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2ccccc21	ZINC001226976542	776043397	/nfs/dbraw/zinc/04/33/97/776043397.db2.gz	BVTORTONVHTJNG-LLVKDONJSA-N	-1	0	256.305	2.762	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227072147	776083815	/nfs/dbraw/zinc/08/38/15/776083815.db2.gz	BCGCVOFCGBSBRN-VIFPVBQESA-N	-1	0	262.313	2.572	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274644	776167829	/nfs/dbraw/zinc/16/78/29/776167829.db2.gz	OGDVQHVHDMKYDJ-JTQLQIEISA-N	-1	0	271.320	2.646	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274992	776168175	/nfs/dbraw/zinc/16/81/75/776168175.db2.gz	RWRAPEOWMUTBPO-SSDOTTSWSA-N	-1	0	267.354	2.529	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cc(OC)c(OC)cc21	ZINC001227280168	776169061	/nfs/dbraw/zinc/16/90/61/776169061.db2.gz	CVZAEWKVVVUGIG-SECBINFHSA-N	-1	0	290.319	2.696	20	30		CFEDRM
CCC[C@H](CC(=O)OCC)Oc1cc(C#N)ccc1O	ZINC001227345261	776180420	/nfs/dbraw/zinc/18/04/20/776180420.db2.gz	MHCAFASDNSDXTA-GFCCVEGCSA-N	-1	0	277.320	2.765	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=S)nnc2C)C(C)(C)O1	ZINC001227602617	776239450	/nfs/dbraw/zinc/23/94/50/776239450.db2.gz	UHZBVHIBFWCNSN-QMTHXVAHSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611014	776242182	/nfs/dbraw/zinc/24/21/82/776242182.db2.gz	NYKQPJWUHLASED-QMMMGPOBSA-N	-1	0	265.338	2.916	20	30		CFEDRM
C=C[C@H](CCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611734	776242591	/nfs/dbraw/zinc/24/25/91/776242591.db2.gz	RTTLKWSRCKIVMA-MRVPVSSYSA-N	-1	0	265.338	2.916	20	30		CFEDRM
C#C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccncc1	ZINC001227743786	776275265	/nfs/dbraw/zinc/27/52/65/776275265.db2.gz	YDEKVDBFFPQLQD-AWEZNQCLSA-N	-1	0	294.270	2.619	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004348	776358390	/nfs/dbraw/zinc/35/83/90/776358390.db2.gz	JZCDEXMWKHYVBM-LLVKDONJSA-N	-1	0	283.331	2.713	20	30		CFEDRM
N#C[C@H](Oc1[n-]ncc(=O)c1Cl)c1cccc(F)c1	ZINC001228391776	776478928	/nfs/dbraw/zinc/47/89/28/776478928.db2.gz	YAGCNUBKVHTVMY-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
C=CC[C@@H](Oc1nc(O)cc(=O)[n-]1)c1ccccc1	ZINC001228388292	776479095	/nfs/dbraw/zinc/47/90/95/776479095.db2.gz	GZXDLILBTQPYDW-LLVKDONJSA-N	-1	0	258.277	2.584	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228677585	776565688	/nfs/dbraw/zinc/56/56/88/776565688.db2.gz	RSUAVHZWQWLBIO-JTQLQIEISA-N	-1	0	276.340	2.583	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ccc2C#N)O1	ZINC001228901248	776651160	/nfs/dbraw/zinc/65/11/60/776651160.db2.gz	KNYMATAHYXGWCR-BLLLJJGKSA-N	-1	0	288.347	2.940	20	30		CFEDRM
Cc1cccc(OC[C@@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228900277	776651170	/nfs/dbraw/zinc/65/11/70/776651170.db2.gz	DHEUFNNWLUHWJD-GFCCVEGCSA-N	-1	0	284.315	2.814	20	30		CFEDRM
Cc1cccc(OC[C@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228900278	776651907	/nfs/dbraw/zinc/65/19/07/776651907.db2.gz	DHEUFNNWLUHWJD-LBPRGKRZSA-N	-1	0	284.315	2.814	20	30		CFEDRM
C#C[C@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911529	776656313	/nfs/dbraw/zinc/65/63/13/776656313.db2.gz	DEQWSIYTTYLFIH-SECBINFHSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137893	776730752	/nfs/dbraw/zinc/73/07/52/776730752.db2.gz	PDVIYHSRZUEVPY-QMTHXVAHSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#C[C@H](C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229191792	776750211	/nfs/dbraw/zinc/75/02/11/776750211.db2.gz	DEVOXWCHADKXDU-JTQLQIEISA-N	-1	0	292.290	2.568	20	30		CFEDRM
COc1ccc(Nc2scc([O-])c2C#N)c(CO)c1	ZINC001211737453	776840714	/nfs/dbraw/zinc/84/07/14/776840714.db2.gz	CNWRYTOYBKAKOG-UHFFFAOYSA-N	-1	0	276.317	2.570	20	30		CFEDRM
C[C@H](Oc1cccc(C#N)c1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001229599503	776854075	/nfs/dbraw/zinc/85/40/75/776854075.db2.gz	FFGNTTWIEQUDGZ-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2ncc(C(=O)OC)[n-]2)C1	ZINC001230279072	776970226	/nfs/dbraw/zinc/97/02/26/776970226.db2.gz	BWTGIMGLEWAOKG-WCQYABFASA-N	-1	0	276.336	2.876	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861714	777075994	/nfs/dbraw/zinc/07/59/94/777075994.db2.gz	GDULCNWHPBDOFN-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230885866	777081937	/nfs/dbraw/zinc/08/19/37/777081937.db2.gz	ZCYYVLQCQDKUSE-JTQLQIEISA-N	-1	0	260.268	2.655	20	30		CFEDRM
C#CC[C@@H](C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230886173	777082242	/nfs/dbraw/zinc/08/22/42/777082242.db2.gz	PDTWDFHWQKYWBZ-MRVPVSSYSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231225062	777174032	/nfs/dbraw/zinc/17/40/32/777174032.db2.gz	VKBTWZQYFPXGJL-SECBINFHSA-N	-1	0	294.263	2.635	20	30		CFEDRM
C[Si](C)(C)C#C[C@H](Oc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001231306517	777188337	/nfs/dbraw/zinc/18/83/37/777188337.db2.gz	XNPUASKNQPWVEW-LBPRGKRZSA-N	-1	0	287.395	2.511	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347437	777197220	/nfs/dbraw/zinc/19/72/20/777197220.db2.gz	LBVOKVSFVHBZLI-PWSUYJOCSA-N	-1	0	284.315	2.525	20	30		CFEDRM
CCCCN(CC#N)Cc1ccc(OC)c(C(=O)[O-])c1	ZINC001231754181	777324988	/nfs/dbraw/zinc/32/49/88/777324988.db2.gz	WNQFEEOWKLEYQD-UHFFFAOYSA-N	-1	0	276.336	2.519	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226555643	777572061	/nfs/dbraw/zinc/57/20/61/777572061.db2.gz	DZBPDVMHFOVROG-QMMMGPOBSA-N	-1	0	277.711	2.565	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2Cc3cccc(F)c3C2)c1	ZINC001232680045	777639825	/nfs/dbraw/zinc/63/98/25/777639825.db2.gz	XHQBNXSWSQNGDH-UHFFFAOYSA-N	-1	0	268.291	2.919	20	30		CFEDRM
CC[C@@H]1OC(=O)C(Oc2ccc(C(C)=NO)cc2)=C1C	ZINC001234083597	778161328	/nfs/dbraw/zinc/16/13/28/778161328.db2.gz	PDNSVTUHXUIPLE-ZDUSSCGKSA-N	-1	0	275.304	2.873	20	30		CFEDRM
CC(C)[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530210	778244560	/nfs/dbraw/zinc/24/45/60/778244560.db2.gz	JGBWNXRSIYYUDA-VIFPVBQESA-N	-1	0	257.293	2.630	20	30		CFEDRM
CC(=O)Oc1ccc(Nc2scc([O-])c2C#N)cc1	ZINC001212071174	778338928	/nfs/dbraw/zinc/33/89/28/778338928.db2.gz	UPLNSNNNKKZSBQ-UHFFFAOYSA-N	-1	0	274.301	2.994	20	30		CFEDRM
C=C(C)C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1	ZINC001142511392	778396747	/nfs/dbraw/zinc/39/67/47/778396747.db2.gz	GRRYLFXNXASVJG-UHFFFAOYSA-N	-1	0	291.328	2.601	20	30		CFEDRM
CCCCCCCCNC(=O)CC(C)(C)C(=O)[O-]	ZINC000160772825	778615202	/nfs/dbraw/zinc/61/52/02/778615202.db2.gz	DSXKXIDAGKBFIT-UHFFFAOYSA-N	-1	0	257.374	2.964	20	30		CFEDRM
N#Cc1ccc(-c2c(F)cc(F)c([O-])c2F)cn1	ZINC001235993278	778645144	/nfs/dbraw/zinc/64/51/44/778645144.db2.gz	FZXQLNMFKLMZFF-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#CCc1cncc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235999104	778649227	/nfs/dbraw/zinc/64/92/27/778649227.db2.gz	YGFWGMPLZJACLG-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1ccc(C(=O)[O-])cc1	ZINC001236058559	778672334	/nfs/dbraw/zinc/67/23/34/778672334.db2.gz	OYWOBHDLRCNQPB-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)n1	ZINC001236148824	778717802	/nfs/dbraw/zinc/71/78/02/778717802.db2.gz	TZDBFUDPNHSDHR-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
C=C[C@H](CCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224901866	778738697	/nfs/dbraw/zinc/73/86/97/778738697.db2.gz	DTSBPTGPGPRDFQ-CYBMUJFWSA-N	-1	0	284.377	2.847	20	30		CFEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cnc1F	ZINC001212190808	778946158	/nfs/dbraw/zinc/94/61/58/778946158.db2.gz	NOTXRJOQUMLZJM-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
Cc1nc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1C#N	ZINC001205069748	778994367	/nfs/dbraw/zinc/99/43/67/778994367.db2.gz	RVAOFAQWBGLACZ-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccsc2)c1	ZINC000176399328	779123640	/nfs/dbraw/zinc/12/36/40/779123640.db2.gz	SYSSSWABTPOXDY-UHFFFAOYSA-N	-1	0	258.302	2.507	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000130515485	779446069	/nfs/dbraw/zinc/44/60/69/779446069.db2.gz	UPUNXRHTTVTZJV-VIFPVBQESA-N	-1	0	299.157	2.840	20	30		CFEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001239245701	779482979	/nfs/dbraw/zinc/48/29/79/779482979.db2.gz	RFKRTQHIWPRPLJ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1[nH]c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2c1C	ZINC000130625967	779486480	/nfs/dbraw/zinc/48/64/80/779486480.db2.gz	FZJCEMXCZKXSRD-CQSZACIVSA-N	-1	0	297.358	2.632	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239336927	779527827	/nfs/dbraw/zinc/52/78/27/779527827.db2.gz	MMGOXXAVVVLYGV-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CC1(c2ccc(-n3[n-]c(=O)c4ccc(N)cc43)cc2)CC1	ZINC001212260085	779542460	/nfs/dbraw/zinc/54/24/60/779542460.db2.gz	KHDYVRKZTHGOFK-UHFFFAOYSA-N	-1	0	290.326	2.868	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1coc(-c2cccs2)n1	ZINC001168627515	780120065	/nfs/dbraw/zinc/12/00/65/780120065.db2.gz	QRYOQUHVVGOYNB-UHFFFAOYSA-N	-1	0	278.333	2.570	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240547191	780241436	/nfs/dbraw/zinc/24/14/36/780241436.db2.gz	REXSUZDERHFZIU-AATRIKPKSA-N	-1	0	297.339	2.835	20	30		CFEDRM
COc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1C#N	ZINC001240546471	780241754	/nfs/dbraw/zinc/24/17/54/780241754.db2.gz	JEWBUAFWSHKDHN-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
COc1ncnc(Nc2cc(F)c(O)c(Cl)c2)c1C#N	ZINC001214486585	780358395	/nfs/dbraw/zinc/35/83/95/780358395.db2.gz	ODLGALBTPQPNOQ-UHFFFAOYSA-N	-1	0	294.673	2.599	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ncc(C#N)cc1C	ZINC001240733361	780400981	/nfs/dbraw/zinc/40/09/81/780400981.db2.gz	OLPDGIZKAZUAKP-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2cc(C#N)c(C)cn2)ccc1C(=O)[O-]	ZINC001240743466	780408992	/nfs/dbraw/zinc/40/89/92/780408992.db2.gz	MSMNCPZSGVECBN-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])s2)n1	ZINC001240845940	780472401	/nfs/dbraw/zinc/47/24/01/780472401.db2.gz	MTBYDGVXOQFSMY-UHFFFAOYSA-N	-1	0	258.302	2.883	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])s2)cc1C#N	ZINC001240846546	780472530	/nfs/dbraw/zinc/47/25/30/780472530.db2.gz	HQTVPKCJJXATBB-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
C=CCOc1ccc(-c2ccc(CC(=O)[O-])cc2)nc1C#N	ZINC001240974422	780563292	/nfs/dbraw/zinc/56/32/92/780563292.db2.gz	NRVXPOIETITLJR-UHFFFAOYSA-N	-1	0	294.310	2.812	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240975436	780564371	/nfs/dbraw/zinc/56/43/71/780564371.db2.gz	OQULSBOETWZWRV-UHFFFAOYSA-N	-1	0	262.268	2.724	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(CC(=O)[O-])cc2)ccc1C#N	ZINC001240975863	780564513	/nfs/dbraw/zinc/56/45/13/780564513.db2.gz	BADBONRXKBYXHY-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(CC(=O)[O-])cc1	ZINC001240976059	780564872	/nfs/dbraw/zinc/56/48/72/780564872.db2.gz	GNRFGDONUDTGTB-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
CCOC(=O)c1cnc(-c2ccccc2[O-])c(C#N)c1	ZINC001241009411	780590382	/nfs/dbraw/zinc/59/03/82/780590382.db2.gz	YXAPZZSDLKYPMK-UHFFFAOYSA-N	-1	0	268.272	2.503	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1c(F)cc([O-])cc1F	ZINC001241116537	780644954	/nfs/dbraw/zinc/64/49/54/780644954.db2.gz	BNBLQHPDGOHPDG-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)nc(C2CC2)n1	ZINC001241184598	780688761	/nfs/dbraw/zinc/68/87/61/780688761.db2.gz	CVQGVYMPIUBCHH-UHFFFAOYSA-N	-1	0	283.262	2.730	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241184799	780688905	/nfs/dbraw/zinc/68/89/05/780688905.db2.gz	DUTIBAPPPKMURS-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241246522	780731188	/nfs/dbraw/zinc/73/11/88/780731188.db2.gz	YQTREQUEKTZDHB-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1cccnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241343058	780797940	/nfs/dbraw/zinc/79/79/40/780797940.db2.gz	BAPIHWYFLOZLRM-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
COc1nc(C)c(-c2cccc(C(=O)[O-])c2)c(C)c1C#N	ZINC001241359665	780810060	/nfs/dbraw/zinc/81/00/60/780810060.db2.gz	YNMBGGUBFHMXPK-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(C(=O)[O-])c1	ZINC001241359865	780810507	/nfs/dbraw/zinc/81/05/07/780810507.db2.gz	VXSAOSKYTWTJRU-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC000703697707	781048171	/nfs/dbraw/zinc/04/81/71/781048171.db2.gz	KDZOTKTVUCUFJQ-MELADBBJSA-N	-1	0	279.380	2.692	20	30		CFEDRM
CCCCCCCNC(=O)CC1(C(=O)[O-])CCC1	ZINC000703736310	781053195	/nfs/dbraw/zinc/05/31/95/781053195.db2.gz	YSCUOEFPZYQANR-UHFFFAOYSA-N	-1	0	255.358	2.718	20	30		CFEDRM
CC(C)c1ccc(C#N)c(-c2cncc(C(=O)[O-])c2)n1	ZINC001241796873	781130915	/nfs/dbraw/zinc/13/09/15/781130915.db2.gz	FOKZXKSJJNBTNV-UHFFFAOYSA-N	-1	0	267.288	2.837	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1cncc(C(=O)[O-])c1	ZINC001241797374	781131024	/nfs/dbraw/zinc/13/10/24/781131024.db2.gz	JRPWSACNLDEGEK-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1ccc2cc(-c3cncc(C(=O)[O-])c3)ccc2n1	ZINC001241803121	781134497	/nfs/dbraw/zinc/13/44/97/781134497.db2.gz	PZFYVGLSTNUMFE-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241821055	781143761	/nfs/dbraw/zinc/14/37/61/781143761.db2.gz	IJNPQBXPRNZVHN-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241834580	781148965	/nfs/dbraw/zinc/14/89/65/781148965.db2.gz	VELWXKREKJJNCW-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
COC(=O)c1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1C#N	ZINC001241835069	781149117	/nfs/dbraw/zinc/14/91/17/781149117.db2.gz	AFPDOVZRBIQGOZ-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
C#Cc1cccc(-c2c(C)nc([O-])n([C@@H](C)CC)c2=O)c1	ZINC001241922511	781183539	/nfs/dbraw/zinc/18/35/39/781183539.db2.gz	WRWRUPJRQPSTSR-NSHDSACASA-N	-1	0	282.343	2.877	20	30		CFEDRM
CCCCCCCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000707400391	781247857	/nfs/dbraw/zinc/24/78/57/781247857.db2.gz	ZZFRZMSAZLWYMZ-UHFFFAOYSA-N	-1	0	287.425	2.671	20	30		CFEDRM
N#CC1(c2ccc(-c3cnn(CC(=O)[O-])c3)cc2)CCC1	ZINC001242184353	781316283	/nfs/dbraw/zinc/31/62/83/781316283.db2.gz	HMZZKTHKJFIKIB-UHFFFAOYSA-N	-1	0	281.315	2.580	20	30		CFEDRM
N#Cc1cc2ccc(-c3cnn(CC(=O)[O-])c3)cc2s1	ZINC001242183175	781316646	/nfs/dbraw/zinc/31/66/46/781316646.db2.gz	IKAZKSNRROICGQ-UHFFFAOYSA-N	-1	0	283.312	2.721	20	30		CFEDRM
CC[C@@H](C#N)c1ccc(-c2cnn(CC(=O)[O-])c2)cc1	ZINC001242186053	781317523	/nfs/dbraw/zinc/31/75/23/781317523.db2.gz	YIWMTAMLNFKSSP-NSHDSACASA-N	-1	0	269.304	2.652	20	30		CFEDRM
N#CC1(c2ccccc2-c2cnn(CC(=O)[O-])c2)CCC1	ZINC001242185735	781317589	/nfs/dbraw/zinc/31/75/89/781317589.db2.gz	AVEYVGHBPXMDEY-UHFFFAOYSA-N	-1	0	281.315	2.580	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1nccc(C#N)c1F	ZINC001242205453	781325816	/nfs/dbraw/zinc/32/58/16/781325816.db2.gz	PXIMESBJYPCWRE-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncc(C#N)cc1F	ZINC001242208195	781326542	/nfs/dbraw/zinc/32/65/42/781326542.db2.gz	CINGMMLHNIKZQN-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccnc(CC#N)c1	ZINC001242211213	781327990	/nfs/dbraw/zinc/32/79/90/781327990.db2.gz	CAUGOVZQKWYGDV-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
CC1(C)CC(=O)C=C(c2cccc(S(=O)(=O)[O-])c2)C1	ZINC001242316501	781394699	/nfs/dbraw/zinc/39/46/99/781394699.db2.gz	UTIJMQXHMDBQGI-UHFFFAOYSA-N	-1	0	280.345	2.706	20	30		CFEDRM
Cc1cc(CC#N)ccc1-c1ccc(C(=O)[O-])nc1	ZINC001242336634	781407184	/nfs/dbraw/zinc/40/71/84/781407184.db2.gz	DEFACBLCCRALFZ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C/C(=N\O)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242338303	781410829	/nfs/dbraw/zinc/41/08/29/781410829.db2.gz	ZCOZFGFKHLHJHS-CXUHLZMHSA-N	-1	0	256.261	2.645	20	30		CFEDRM
COc1nc(C)nc(-c2cccc(Cl)c2[O-])c1C#N	ZINC001242363951	781437880	/nfs/dbraw/zinc/43/78/80/781437880.db2.gz	NRSOLFVWMKRUBT-UHFFFAOYSA-N	-1	0	275.695	2.691	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(C(=O)[O-])c1F)CCC2	ZINC001242376993	781445649	/nfs/dbraw/zinc/44/56/49/781445649.db2.gz	UBUFDECEKOSXRJ-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
Cc1ccc(-c2cccc(C(=O)[O-])c2F)nc1C#N	ZINC001242378018	781446508	/nfs/dbraw/zinc/44/65/08/781446508.db2.gz	MQDYIYACYPVXIX-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)cn1	ZINC001242379429	781448300	/nfs/dbraw/zinc/44/83/00/781448300.db2.gz	PZWGYBAIYCKYNZ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1cc(C#N)ccc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC001242475089	781530298	/nfs/dbraw/zinc/53/02/98/781530298.db2.gz	HARZBAGOCNYZOI-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
N#Cc1cc(-c2ncc3ccsc3n2)ccc1[O-]	ZINC001242561702	781599437	/nfs/dbraw/zinc/59/94/37/781599437.db2.gz	AZLDNZPHFVONIS-UHFFFAOYSA-N	-1	0	253.286	2.936	20	30		CFEDRM
CC(C)Nc1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562234	781600427	/nfs/dbraw/zinc/60/04/27/781600427.db2.gz	MYSVFWBKCVYRRD-UHFFFAOYSA-N	-1	0	254.293	2.541	20	30		CFEDRM
N#Cc1cc(-c2nccc(-c3cccnc3)n2)ccc1[O-]	ZINC001242562842	781601855	/nfs/dbraw/zinc/60/18/55/781601855.db2.gz	LKNACYYAVHBQHO-UHFFFAOYSA-N	-1	0	274.283	2.783	20	30		CFEDRM
COc1ccc(C#N)c(-c2cccc([O-])c2Cl)n1	ZINC001242803615	781768720	/nfs/dbraw/zinc/76/87/20/781768720.db2.gz	URAZVTBFYIVCKW-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
Cc1nc(-c2ccccc2C(=O)[O-])ccc1CC#N	ZINC001242878146	781818167	/nfs/dbraw/zinc/81/81/67/781818167.db2.gz	DCACTZMGNCIXFG-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(CC#N)ccn1	ZINC001242921955	781843537	/nfs/dbraw/zinc/84/35/37/781843537.db2.gz	XDRVWTVFYPDAJE-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccc(C#N)s2)c(C(=O)[O-])n1	ZINC000594873333	349491751	/nfs/dbraw/zinc/49/17/51/349491751.db2.gz	SJOAIIMZALOIIJ-UHFFFAOYSA-N	-1	0	275.333	2.936	20	30		CFEDRM
N#Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000127726327	187329440	/nfs/dbraw/zinc/32/94/40/187329440.db2.gz	KGKUAZVHZJNGHB-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)[C@H]1C(=O)[O-]	ZINC000595281399	349589942	/nfs/dbraw/zinc/58/99/42/349589942.db2.gz	KYYZDTWGFYTYHU-GXTWGEPZSA-N	-1	0	292.379	2.562	20	30		CFEDRM
C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CCCCC1	ZINC000595376362	349612374	/nfs/dbraw/zinc/61/23/74/349612374.db2.gz	JVOJMHQFOXYUMF-LLVKDONJSA-N	-1	0	296.392	2.646	20	30		CFEDRM
C#CC[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1	ZINC000270106471	190599243	/nfs/dbraw/zinc/59/92/43/190599243.db2.gz	FAYWCGBZCVORTB-HNNXBMFYSA-N	-1	0	299.370	2.902	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NCCCCC(=O)[O-]	ZINC000070200217	346908100	/nfs/dbraw/zinc/90/81/00/346908100.db2.gz	VGQOAIBVQWMYTP-UHFFFAOYSA-N	-1	0	252.701	2.878	20	30		CFEDRM
C=CCCSCCNc1ccnc(C(=O)[O-])c1	ZINC000595968003	349773017	/nfs/dbraw/zinc/77/30/17/349773017.db2.gz	CQGUZLPKHQGBTH-UHFFFAOYSA-N	-1	0	252.339	2.501	20	30		CFEDRM
C[C@@](O)(CN=c1[n-]c(C#N)c(Cl)s1)C1CCCCC1	ZINC000596208644	349827085	/nfs/dbraw/zinc/82/70/85/349827085.db2.gz	UMBPPZZIEXDPTN-CYBMUJFWSA-N	-1	0	299.827	2.833	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)OC	ZINC000596249662	349840477	/nfs/dbraw/zinc/84/04/77/349840477.db2.gz	JQFREQIZFROXJM-IONNQARKSA-N	-1	0	273.789	2.563	20	30		CFEDRM
CCc1nnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1	ZINC000152263563	232217066	/nfs/dbraw/zinc/21/70/66/232217066.db2.gz	LIMIGRQUUINKBZ-UHFFFAOYSA-N	-1	0	294.286	2.503	20	30		CFEDRM
Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000054734128	346575772	/nfs/dbraw/zinc/57/57/72/346575772.db2.gz	QOTOUCJHFWSDAK-NSHDSACASA-N	-1	0	294.314	2.668	20	30		CFEDRM
CC1CC(C(=O)[N-]S(=O)(=O)CC2CCCCC2)C1	ZINC000084849041	347475256	/nfs/dbraw/zinc/47/52/56/347475256.db2.gz	SBFGGFVFJBUKMO-UHFFFAOYSA-N	-1	0	273.398	2.899	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000089285147	347515129	/nfs/dbraw/zinc/51/51/29/347515129.db2.gz	ZFVQAEBJPKIGBO-IUCAKERBSA-N	-1	0	299.314	2.827	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc([C@@H]2C[C@H]2C)o1	ZINC000089285834	347515153	/nfs/dbraw/zinc/51/51/53/347515153.db2.gz	AWLSNIDWKPRMPX-NPNFKUNOSA-N	-1	0	295.360	2.889	20	30		CFEDRM
N#Cc1cc(F)ccc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000111026054	347751022	/nfs/dbraw/zinc/75/10/22/347751022.db2.gz	GDCVBVLYOIEWIQ-NSHDSACASA-N	-1	0	276.311	2.779	20	30		CFEDRM
N#Cc1ccc(NCCCCC(=O)[O-])c(Br)c1	ZINC000213292824	348160064	/nfs/dbraw/zinc/16/00/64/348160064.db2.gz	QZMMFWNWWGPJGU-UHFFFAOYSA-N	-1	0	297.152	2.988	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccccc2)n1	ZINC000254798185	348302403	/nfs/dbraw/zinc/30/24/03/348302403.db2.gz	PDBMAISMFGGOFJ-KUNFTMJZSA-N	-1	0	254.293	2.602	20	30		CFEDRM
C[C@@H](CC#N)C(=O)Nc1ccc(Br)cc1O	ZINC000596791926	349990213	/nfs/dbraw/zinc/99/02/13/349990213.db2.gz	FYTQVRFMZVTPDE-ZETCQYMHSA-N	-1	0	283.125	2.643	20	30		CFEDRM
C=C(C)COCCN=c1[n-]nc(-c2ccccc2)s1	ZINC000531627874	348649812	/nfs/dbraw/zinc/64/98/12/348649812.db2.gz	AQRWFYMVACYVCY-UHFFFAOYSA-N	-1	0	275.377	2.632	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1cc([O-])cc(C#N)c1	ZINC000589190866	348818120	/nfs/dbraw/zinc/81/81/20/348818120.db2.gz	KGSWATINHHZMDC-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc2ccccc2s1	ZINC000591862698	349051655	/nfs/dbraw/zinc/05/16/55/349051655.db2.gz	ZABISDIMZPDROH-QMMMGPOBSA-N	-1	0	269.285	2.774	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1SC	ZINC000592353378	349106797	/nfs/dbraw/zinc/10/67/97/349106797.db2.gz	DVZAAOYRXJHTEC-SECBINFHSA-N	-1	0	288.369	2.591	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCC2(C#N)CCCC2)s1	ZINC000593484607	349281328	/nfs/dbraw/zinc/28/13/28/349281328.db2.gz	KFBVVYOYYIWMTI-UHFFFAOYSA-N	-1	0	264.398	2.753	20	30		CFEDRM
N#CCCCCC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000593989161	349346984	/nfs/dbraw/zinc/34/69/84/349346984.db2.gz	KDLAFHQMYRDFCO-UHFFFAOYSA-N	-1	0	280.331	2.588	20	30		CFEDRM
CC(C)(C#N)CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000597694579	350124935	/nfs/dbraw/zinc/12/49/35/350124935.db2.gz	LJRBFFHMQTWNMF-UHFFFAOYSA-N	-1	0	284.319	2.661	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000597996983	350175551	/nfs/dbraw/zinc/17/55/51/350175551.db2.gz	CNBOWFZYKDTUFT-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
N#CC1(CNC(=O)c2ccc(F)cc2[O-])CCCCC1	ZINC000598311862	350232656	/nfs/dbraw/zinc/23/26/56/350232656.db2.gz	TZARUWQMVHTBJL-UHFFFAOYSA-N	-1	0	276.311	2.735	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1[C@H]2CCCCCC[C@H]12	ZINC000598734677	350323278	/nfs/dbraw/zinc/32/32/78/350323278.db2.gz	JSLWFAOHWPBJGK-RYUDHWBXSA-N	-1	0	298.390	2.736	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000600169400	350529516	/nfs/dbraw/zinc/52/95/16/350529516.db2.gz	GLDCZEWRJDARQF-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
CC[C@@H](Sc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000600674090	350595014	/nfs/dbraw/zinc/59/50/14/350595014.db2.gz	CYNFZGCJNHOARR-MRVPVSSYSA-N	-1	0	256.714	2.562	20	30		CFEDRM
CCCC[C@@H](Sc1cc(C)ncc1C#N)C(=O)[O-]	ZINC000600676072	350595942	/nfs/dbraw/zinc/59/59/42/350595942.db2.gz	STDWEPLZTSCHTC-LLVKDONJSA-N	-1	0	264.350	2.997	20	30		CFEDRM
C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000600798419	350614351	/nfs/dbraw/zinc/61/43/51/350614351.db2.gz	BMSFCMYGRPTKHW-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#C[C@@H](CCc1ccccc1)Sc1n[n-]c(=N)s1	ZINC000601071244	350658497	/nfs/dbraw/zinc/65/84/97/350658497.db2.gz	YQSGRCBRNZFQIM-SNVBAGLBSA-N	-1	0	276.390	2.568	20	30		CFEDRM
CCC(CC)(C(=O)N=c1[nH][n-]c(C)c1C#N)c1ccccc1	ZINC000601680098	350758197	/nfs/dbraw/zinc/75/81/97/350758197.db2.gz	OGDSGKVWKJCEFV-UHFFFAOYSA-N	-1	0	296.374	2.708	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C	ZINC000601948904	350815988	/nfs/dbraw/zinc/81/59/88/350815988.db2.gz	NJXJIDDRMYQPFG-ZETCQYMHSA-N	-1	0	281.237	2.936	20	30		CFEDRM
COc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1Cl	ZINC000601948843	350816140	/nfs/dbraw/zinc/81/61/40/350816140.db2.gz	MEVWSQIHVYKBKL-LLVKDONJSA-N	-1	0	291.738	2.991	20	30		CFEDRM
Cc1csc(NC(=O)CC2(C(=O)[O-])CCC2)c1C#N	ZINC000601984613	350823058	/nfs/dbraw/zinc/82/30/58/350823058.db2.gz	VFHGWBXITMATNF-UHFFFAOYSA-N	-1	0	278.333	2.512	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccnn2CC2CCC2)cc1[O-]	ZINC000601882203	350797633	/nfs/dbraw/zinc/79/76/33/350797633.db2.gz	BEZSYZGBTXNNHN-UHFFFAOYSA-N	-1	0	296.330	2.513	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601932926	350806005	/nfs/dbraw/zinc/80/60/05/350806005.db2.gz	VBPBUPRIBRKFCF-GXFFZTMASA-N	-1	0	253.305	2.697	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1NCc1ccc(C#N)cc1	ZINC000111310980	186394652	/nfs/dbraw/zinc/39/46/52/186394652.db2.gz	ZNBMNGQSNFTWQY-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
COc1ccc(-c2n[n-]c(=NCC3(C#N)CCCC3)o2)cc1	ZINC000603404607	351157833	/nfs/dbraw/zinc/15/78/33/351157833.db2.gz	XENDPQKPRJCPSL-UHFFFAOYSA-N	-1	0	298.346	2.663	20	30		CFEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)CC(C)(C)C	ZINC000603873368	351188128	/nfs/dbraw/zinc/18/81/28/351188128.db2.gz	ZVOWLJQLFGWWCX-SECBINFHSA-N	-1	0	273.340	2.554	20	30		CFEDRM
Cc1[n-]n(Cc2cccc3cccnc32)c(=O)c1CCC#N	ZINC000603921008	351191403	/nfs/dbraw/zinc/19/14/03/351191403.db2.gz	KJZXFQLVXZCJTK-OAHLLOKOSA-N	-1	0	292.342	2.873	20	30		CFEDRM
Cc1[n-]n(-c2cccc3ncccc32)c(=O)c1CCC#N	ZINC000603920676	351191442	/nfs/dbraw/zinc/19/14/42/351191442.db2.gz	BKHNUEPGIZJPBC-LBPRGKRZSA-N	-1	0	278.315	2.877	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1c([O-])cccc1F	ZINC000610987144	351628974	/nfs/dbraw/zinc/62/89/74/351628974.db2.gz	NIXYMPHYOUIDPN-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc(CC)cc(C2CC2)n1	ZINC000291942281	198112523	/nfs/dbraw/zinc/11/25/23/198112523.db2.gz	YJAMTEAMZVBYRI-UHFFFAOYSA-N	-1	0	295.408	2.624	20	30		CFEDRM
CCC[C@@H]1SCCN1C(=O)c1cc(O)cc(C#N)c1	ZINC000614370043	352086399	/nfs/dbraw/zinc/08/63/99/352086399.db2.gz	YJXWNHFXJDNJGX-ZDUSSCGKSA-N	-1	0	276.361	2.579	20	30		CFEDRM
C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(O)cc(C#N)c1	ZINC000614371739	352086471	/nfs/dbraw/zinc/08/64/71/352086471.db2.gz	VCUVIMMDFQOPKC-LLVKDONJSA-N	-1	0	296.326	2.803	20	30		CFEDRM
CCc1ccc(C(=O)N[C@H](C#N)CC(C)C)c(O)c1	ZINC000615745573	352237565	/nfs/dbraw/zinc/23/75/65/352237565.db2.gz	IWNKFOKWUKZTSQ-LBPRGKRZSA-N	-1	0	260.337	2.623	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2c([O-])cccc2F)C1	ZINC000617780388	352644111	/nfs/dbraw/zinc/64/41/11/352644111.db2.gz	UTDDOUCZIUDQKT-NSHDSACASA-N	-1	0	263.312	2.960	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])C1CCCC1	ZINC000621575912	353381190	/nfs/dbraw/zinc/38/11/90/353381190.db2.gz	URZGOGBODZUFGB-UHFFFAOYSA-N	-1	0	265.353	2.611	20	30		CFEDRM
CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000626393011	354260667	/nfs/dbraw/zinc/26/06/67/354260667.db2.gz	OEZFWLPUFCMBBV-LLVKDONJSA-N	-1	0	296.330	2.539	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000626775523	354321590	/nfs/dbraw/zinc/32/15/90/354321590.db2.gz	JPNUGQZLMHDBQI-UHFFFAOYSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000629772848	354928009	/nfs/dbraw/zinc/92/80/09/354928009.db2.gz	YEKZPKCPAZAFQU-ZFWWWQNUSA-N	-1	0	289.375	2.794	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000630266463	355035311	/nfs/dbraw/zinc/03/53/11/355035311.db2.gz	DZOFPKKMIMMZCL-OCCSQVGLSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(OCCC)c1)C(=O)[O-]	ZINC000630317833	355049534	/nfs/dbraw/zinc/04/95/34/355049534.db2.gz	BIDHBFJBXHVXBJ-AWEZNQCLSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000630317856	355049604	/nfs/dbraw/zinc/04/96/04/355049604.db2.gz	BRLSDANQCADRLD-AVGNSLFASA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000630318664	355049730	/nfs/dbraw/zinc/04/97/30/355049730.db2.gz	LJLCYBFWRFUGER-VXGBXAGGSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000630319850	355050024	/nfs/dbraw/zinc/05/00/24/355050024.db2.gz	IWWVQXZCOIZNBL-UONOGXRCSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000630319328	355050099	/nfs/dbraw/zinc/05/00/99/355050099.db2.gz	YIILGFAQAAFVRF-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000630321663	355050894	/nfs/dbraw/zinc/05/08/94/355050894.db2.gz	LEYWBZXFJGUKRP-SNVBAGLBSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000630321750	355050918	/nfs/dbraw/zinc/05/09/18/355050918.db2.gz	MOZJRDCLCSQOTA-CYBMUJFWSA-N	-1	0	279.311	2.537	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000630326459	355052322	/nfs/dbraw/zinc/05/23/22/355052322.db2.gz	QJJWUAJBKXOCEC-HIFRSBDPSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000630325047	355052544	/nfs/dbraw/zinc/05/25/44/355052544.db2.gz	GQWXJBFPYWGDEX-HUUCEWRRSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000630326455	355052614	/nfs/dbraw/zinc/05/26/14/355052614.db2.gz	QGMHKQWYDKFQSV-XGACYXMMSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000630327297	355052994	/nfs/dbraw/zinc/05/29/94/355052994.db2.gz	ZAKFFSUONXLRSW-JSGCOSHPSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000630327301	355053094	/nfs/dbraw/zinc/05/30/94/355053094.db2.gz	ZAKFFSUONXLRSW-TZMCWYRMSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(C)cc1)C(=O)[O-]	ZINC000630469180	355091314	/nfs/dbraw/zinc/09/13/14/355091314.db2.gz	KMTMVNOURNSAAC-JSGCOSHPSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(C)ccc1F)C(=O)[O-]	ZINC000630950619	355225312	/nfs/dbraw/zinc/22/53/12/355225312.db2.gz	DQHKBVZWHOLEIQ-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=CCOc1cccc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)c1	ZINC000630959386	355230390	/nfs/dbraw/zinc/23/03/90/355230390.db2.gz	GWBZCRWOSJPJJQ-BXUZGUMPSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CCCC(C)(C)CN=c1[n-]nc(COC)s1	ZINC000631453297	355442966	/nfs/dbraw/zinc/44/29/66/355442966.db2.gz	ZXXGUVRCSPSWRX-UHFFFAOYSA-N	-1	0	255.387	2.511	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000633967158	356047665	/nfs/dbraw/zinc/04/76/65/356047665.db2.gz	GZRPJRMDGZAYGS-NSHDSACASA-N	-1	0	271.345	2.981	20	30		CFEDRM
CC(C)Cc1nc(=NCC2CCC(C#N)CC2)s[n-]1	ZINC000574024616	334985543	/nfs/dbraw/zinc/98/55/43/334985543.db2.gz	SJVSFQABYXGUEC-UHFFFAOYSA-N	-1	0	278.425	2.900	20	30		CFEDRM
CC#CCN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000294647399	199121116	/nfs/dbraw/zinc/12/11/16/199121116.db2.gz	TVIGJPULWKWTJY-UHFFFAOYSA-N	-1	0	272.131	2.794	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000666108170	540992029	/nfs/dbraw/zinc/99/20/29/540992029.db2.gz	UCAFSEYWWIFBDC-CYBMUJFWSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000135969857	541274257	/nfs/dbraw/zinc/27/42/57/541274257.db2.gz	LVPIVUVUUKQTBK-UHFFFAOYSA-N	-1	0	283.274	2.701	20	30		CFEDRM
CC(=Cc1ccc(F)c(C#N)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340506	240302619	/nfs/dbraw/zinc/30/26/19/240302619.db2.gz	IXLMMMYRFGLAAQ-WEVVVXLNSA-N	-1	0	294.289	2.521	20	30		CFEDRM
COc1ccsc1C=C(C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435336519	240303520	/nfs/dbraw/zinc/30/35/20/240303520.db2.gz	PGHBFADGQCVGEB-VURMDHGXSA-N	-1	0	287.344	2.581	20	30		CFEDRM
CC(=Cc1ccc(C#N)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340779	240304060	/nfs/dbraw/zinc/30/40/60/240304060.db2.gz	NBDXKYQWQUTBGK-XFFZJAGNSA-N	-1	0	290.326	2.691	20	30		CFEDRM
CC(=CC=Cc1ccncc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340976	240304214	/nfs/dbraw/zinc/30/42/14/240304214.db2.gz	QEPHBZLFRIPJEN-QULOGMOTSA-N	-1	0	278.315	2.874	20	30		CFEDRM
N#Cc1ccc(NCCCCCC(=O)[O-])c(F)c1	ZINC000036886348	372606158	/nfs/dbraw/zinc/60/61/58/372606158.db2.gz	UHJIEYQQNMFBBM-UHFFFAOYSA-N	-1	0	250.273	2.754	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000528973009	383684308	/nfs/dbraw/zinc/68/43/08/383684308.db2.gz	HXWDYDSBACDQCU-UHFFFAOYSA-N	-1	0	274.320	2.863	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)n1	ZINC000041520411	372845287	/nfs/dbraw/zinc/84/52/87/372845287.db2.gz	DWBZWZGCDFIOIO-NSHDSACASA-N	-1	0	287.300	2.850	20	30		CFEDRM
CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000041520323	372845736	/nfs/dbraw/zinc/84/57/36/372845736.db2.gz	RBGUSINHMRYYOT-ZDUSSCGKSA-N	-1	0	299.355	2.900	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000046706244	373061058	/nfs/dbraw/zinc/06/10/58/373061058.db2.gz	ZXSPVBZIRXMVCD-JTQLQIEISA-N	-1	0	265.272	2.954	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c(C)c1	ZINC000046929921	373070011	/nfs/dbraw/zinc/07/00/11/373070011.db2.gz	DWWVSEOBIUQGKD-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513412	373306858	/nfs/dbraw/zinc/30/68/58/373306858.db2.gz	CXJVFPXOBLDJBN-LLVKDONJSA-N	-1	0	271.382	2.962	20	30		CFEDRM
N#Cc1cccc(/C=C\C(=O)NOC2CCCCC2)c1	ZINC000492664945	246356662	/nfs/dbraw/zinc/35/66/62/246356662.db2.gz	YNCBXQLJECSUEZ-KTKRTIGZSA-N	-1	0	270.332	2.952	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000263220621	190066831	/nfs/dbraw/zinc/06/68/31/190066831.db2.gz	QOWAOSHVOMTFMI-DZGCQCFKSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCCCCCCC(=O)[O-]	ZINC000263295546	190067924	/nfs/dbraw/zinc/06/79/24/190067924.db2.gz	SIBPIKJCZLGBHB-LBPRGKRZSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1	ZINC000263444463	190068737	/nfs/dbraw/zinc/06/87/37/190068737.db2.gz	NBFRGESTCYDYOH-CXAGYDPISA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CCC1	ZINC000263517943	190069123	/nfs/dbraw/zinc/06/91/23/190069123.db2.gz	FQPRDIHETTZOFX-CQSZACIVSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C#CC[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000262695281	190061098	/nfs/dbraw/zinc/06/10/98/190061098.db2.gz	GAQKXQCJYZPYBM-UYSNPLJNSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=CCN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000574648582	335037043	/nfs/dbraw/zinc/03/70/43/335037043.db2.gz	PRCMBVQCPYAWJC-UHFFFAOYSA-N	-1	0	259.227	2.669	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(F)F)n2)n1	ZINC000678918866	542092544	/nfs/dbraw/zinc/09/25/44/542092544.db2.gz	HYMNXWYHUJNQBG-ZETCQYMHSA-N	-1	0	282.275	2.533	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000678988463	542105992	/nfs/dbraw/zinc/10/59/92/542105992.db2.gz	OUFRLHGSWWOCDT-AWEZNQCLSA-N	-1	0	291.322	2.836	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1c(F)cc(C#N)cc1F	ZINC000133557037	377940172	/nfs/dbraw/zinc/94/01/72/377940172.db2.gz	OISZPMFGSYKRQY-UHFFFAOYSA-N	-1	0	268.263	2.892	20	30		CFEDRM
Cc1cc(O)ccc1NC(=O)c1sccc1C#N	ZINC000153949495	378526162	/nfs/dbraw/zinc/52/61/62/378526162.db2.gz	GTKRGYFJLSDIFS-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@H](C)[C@H](C)CC)s1	ZINC000330617061	378591377	/nfs/dbraw/zinc/59/13/77/378591377.db2.gz	VYJJJAWNQUYGQV-HTQZYQBOSA-N	-1	0	288.442	2.833	20	30		CFEDRM
O=C(NC[C@@H]1CCCS1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000331047110	378621018	/nfs/dbraw/zinc/62/10/18/378621018.db2.gz	IOPGIHQYRQUWFB-NSHDSACASA-N	-1	0	282.321	2.501	20	30		CFEDRM
CC(C)(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC000159621863	378720419	/nfs/dbraw/zinc/72/04/19/378720419.db2.gz	XTDMDEAHFNTDFA-UHFFFAOYSA-N	-1	0	299.359	2.764	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCCOC2)c1[O-]	ZINC000171647976	379364101	/nfs/dbraw/zinc/36/41/01/379364101.db2.gz	LYQNMDXNLXDYHQ-GCIHHOABSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C=CCCCN(C)C(=O)CSc1n[n-]c(=S)s1	ZINC000176364683	380222551	/nfs/dbraw/zinc/22/25/51/380222551.db2.gz	OCXMLNKIXBVOCH-UHFFFAOYSA-N	-1	0	289.451	2.717	20	30		CFEDRM
N#Cc1ccc(NS(=O)(=O)c2ccoc2)c(Cl)c1	ZINC000336614654	380550942	/nfs/dbraw/zinc/55/09/42/380550942.db2.gz	OPIDBIFEUDGTLV-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C#N	ZINC000181144616	380748278	/nfs/dbraw/zinc/74/82/78/380748278.db2.gz	VRORMGNTWHXTSS-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(CCCC)s1	ZINC000341380805	380979924	/nfs/dbraw/zinc/97/99/24/380979924.db2.gz	VHNZGNVVTQNPLF-SNVBAGLBSA-N	-1	0	282.413	2.779	20	30		CFEDRM
Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)s3)n[nH]2)o1	ZINC000359016814	381216897	/nfs/dbraw/zinc/21/68/97/381216897.db2.gz	ICTZAXIVDPBHFI-UHFFFAOYSA-N	-1	0	299.315	2.559	20	30		CFEDRM
N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccncn1	ZINC000354418464	381252966	/nfs/dbraw/zinc/25/29/66/381252966.db2.gz	PFZWQDVUZLVTDH-GFCCVEGCSA-N	-1	0	290.282	2.622	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354461643	381286733	/nfs/dbraw/zinc/28/67/33/381286733.db2.gz	CJAUVQCTUQZXMQ-LLVKDONJSA-N	-1	0	271.345	2.899	20	30		CFEDRM
CCc1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354454751	381279361	/nfs/dbraw/zinc/27/93/61/381279361.db2.gz	AFIDHEWKADFFAW-JTQLQIEISA-N	-1	0	257.318	2.591	20	30		CFEDRM
CC(C)c1csc([N-]S(=O)(=O)c2ccc(C#N)o2)n1	ZINC000342439802	381332265	/nfs/dbraw/zinc/33/22/65/381332265.db2.gz	BMDQYHJWLPLYDU-UHFFFAOYSA-N	-1	0	297.361	2.532	20	30		CFEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1ccncn1	ZINC000342464519	381345710	/nfs/dbraw/zinc/34/57/10/381345710.db2.gz	RGKAANVCALNQMU-LLVKDONJSA-N	-1	0	255.277	2.683	20	30		CFEDRM
N#Cc1ccc(COc2ccc(-c3n[n-]c(=N)o3)cc2)cc1	ZINC000359340451	381361994	/nfs/dbraw/zinc/36/19/94/381361994.db2.gz	BWTUMYPFUXVQGH-UHFFFAOYSA-N	-1	0	292.298	2.600	20	30		CFEDRM
CC(C)c1cccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)n1	ZINC000354874355	381499968	/nfs/dbraw/zinc/49/99/68/381499968.db2.gz	DUDKNOKERDWUFO-UHFFFAOYSA-N	-1	0	297.362	2.528	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC000291322340	381748254	/nfs/dbraw/zinc/74/82/54/381748254.db2.gz	SXIVHQGJNWRUJO-ZDUSSCGKSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=CCCC1(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1	ZINC000361858672	381867244	/nfs/dbraw/zinc/86/72/44/381867244.db2.gz	VMMIITRVRUJMFX-UHFFFAOYSA-N	-1	0	285.269	2.602	20	30		CFEDRM
CC[C@H](C)CONC(=O)Nc1ccc(F)c(C#N)c1	ZINC000292946640	381917864	/nfs/dbraw/zinc/91/78/64/381917864.db2.gz	NVGBWROMGWFPTP-VIFPVBQESA-N	-1	0	265.288	2.797	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1n[nH]c(-c2ccco2)n1	ZINC000299312828	381893420	/nfs/dbraw/zinc/89/34/20/381893420.db2.gz	OXBJZRQHYMGYIO-UHFFFAOYSA-N	-1	0	260.297	2.606	20	30		CFEDRM
Cc1ccc(C#N)cc1NCc1cc(=O)[nH]c(C2CC2)n1	ZINC000417003750	381983174	/nfs/dbraw/zinc/98/31/74/381983174.db2.gz	BTDZVZAVMSBFDB-UHFFFAOYSA-N	-1	0	280.331	2.852	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1	ZINC000357179559	382041362	/nfs/dbraw/zinc/04/13/62/382041362.db2.gz	BRGNRNZRLXPAKQ-UHFFFAOYSA-N	-1	0	276.299	2.642	20	30		CFEDRM
N#CCC1(CN=c2nc(-c3ccccc3)[n-]s2)CC1	ZINC000362359173	382024249	/nfs/dbraw/zinc/02/42/49/382024249.db2.gz	MSFCZTMSIYAHDS-UHFFFAOYSA-N	-1	0	270.361	2.733	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(-c3ccoc3)c2)c1C#N	ZINC000357159519	382031294	/nfs/dbraw/zinc/03/12/94/382031294.db2.gz	RIUWOZDGTPAFKF-UHFFFAOYSA-N	-1	0	292.298	2.524	20	30		CFEDRM
CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)nc1	ZINC000346000639	382326311	/nfs/dbraw/zinc/32/63/11/382326311.db2.gz	YWYPTBUIGGLTSD-GFCCVEGCSA-N	-1	0	296.330	2.539	20	30		CFEDRM
CCOc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188340043	382395374	/nfs/dbraw/zinc/39/53/74/382395374.db2.gz	MOEZGUMETYUHOS-UHFFFAOYSA-N	-1	0	282.299	2.915	20	30		CFEDRM
COCc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000357999933	382402638	/nfs/dbraw/zinc/40/26/38/382402638.db2.gz	HIUCVTYIXVHWGY-VURMDHGXSA-N	-1	0	294.310	2.968	20	30		CFEDRM
Cc1noc(C2CC2)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188788928	382477696	/nfs/dbraw/zinc/47/76/96/382477696.db2.gz	RFQMBZKJBJSTBE-UHFFFAOYSA-N	-1	0	283.287	2.690	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C/c1ccccc1C)C(=O)[O-]	ZINC000316729879	382530619	/nfs/dbraw/zinc/53/06/19/382530619.db2.gz	YVXZMQQGDVPBHS-VNDWYCCKSA-N	-1	0	273.332	2.544	20	30		CFEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000346948873	382582608	/nfs/dbraw/zinc/58/26/08/382582608.db2.gz	SXLIGZWAAIMVEZ-NSHDSACASA-N	-1	0	271.345	2.899	20	30		CFEDRM
N#CC(=C([O-])c1ccoc1)c1cnc2ccccc2n1	ZINC000190968405	382686836	/nfs/dbraw/zinc/68/68/36/382686836.db2.gz	SROHFMPTEILZPN-NSHDSACASA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000190513465	382671656	/nfs/dbraw/zinc/67/16/56/382671656.db2.gz	IYJVBMHYRSRIKF-IUODEOHRSA-N	-1	0	275.348	2.572	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000190679948	382677672	/nfs/dbraw/zinc/67/76/72/382677672.db2.gz	XAMPDRAGKKIVIF-DZGCQCFKSA-N	-1	0	289.375	2.962	20	30		CFEDRM
N#CC(=C([O-])c1ccco1)c1cnc2ccccc2n1	ZINC000190956479	382686333	/nfs/dbraw/zinc/68/63/33/382686333.db2.gz	NYQAPUREAQCPBL-SNVBAGLBSA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000192873037	382713197	/nfs/dbraw/zinc/71/31/97/382713197.db2.gz	BNUDOEOVAKUCHR-JTQLQIEISA-N	-1	0	279.336	2.847	20	30		CFEDRM
CO[C@H](C)c1nc(=N[C@H](C)c2ccc(C#N)cc2)s[n-]1	ZINC000336833335	382727389	/nfs/dbraw/zinc/72/73/89/382727389.db2.gz	YFBGATVDSYEZBV-NXEZZACHSA-N	-1	0	288.376	2.712	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCc1cnc2ccccc2c1	ZINC000337237630	382782954	/nfs/dbraw/zinc/78/29/54/382782954.db2.gz	YSPSHHMJAHOJPX-UHFFFAOYSA-N	-1	0	297.387	2.717	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC(C)(C)CCC(=O)[O-]	ZINC000236819532	382920831	/nfs/dbraw/zinc/92/08/31/382920831.db2.gz	XFZPUWZSJRNJSO-UHFFFAOYSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000236944587	382935758	/nfs/dbraw/zinc/93/57/58/382935758.db2.gz	RTENNGNYUAITQD-CQSZACIVSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CC(C)c1n[n-]c(=NCc2ccc(CC#N)cc2)s1	ZINC000579001888	382974865	/nfs/dbraw/zinc/97/48/65/382974865.db2.gz	WNMMVDPOPADWMA-UHFFFAOYSA-N	-1	0	272.377	2.762	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H](F)C(F)(F)F)s1	ZINC000443473129	382968183	/nfs/dbraw/zinc/96/81/83/382968183.db2.gz	KIROXGMKSZZOJD-YFKPBYRVSA-N	-1	0	287.307	2.550	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Sc1ccccc1)C(=O)[O-]	ZINC000448993797	383125097	/nfs/dbraw/zinc/12/50/97/383125097.db2.gz	NJVFLACGRWEKOJ-WCQYABFASA-N	-1	0	293.388	2.703	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000448998150	383126031	/nfs/dbraw/zinc/12/60/31/383126031.db2.gz	WAVZMUJUSJRYDL-IUODEOHRSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000556708148	383152578	/nfs/dbraw/zinc/15/25/78/383152578.db2.gz	HAQBMPPWUKFTHF-ZIAGYGMSSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=CC1CCN(c2nc(C(=O)[O-])c(C)s2)CC1	ZINC000563204465	383166357	/nfs/dbraw/zinc/16/63/57/383166357.db2.gz	FGTDZOSIDRODBQ-UHFFFAOYSA-N	-1	0	252.339	2.552	20	30		CFEDRM
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CCC)C(=O)[O-]	ZINC000568061649	383351542	/nfs/dbraw/zinc/35/15/42/383351542.db2.gz	MUICJHYFUALEGR-CQSZACIVSA-N	-1	0	292.335	2.836	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000634938885	383412850	/nfs/dbraw/zinc/41/28/50/383412850.db2.gz	VJLOAPPUGQIIEY-BBRMVZONSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000634938904	383412916	/nfs/dbraw/zinc/41/29/16/383412916.db2.gz	VPTNAECZQWKNER-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CC(C)(C)CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634840758	383376443	/nfs/dbraw/zinc/37/64/43/383376443.db2.gz	URIYIYBNUFBIAQ-HNNXBMFYSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCN(CC=C)C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634851410	383381707	/nfs/dbraw/zinc/38/17/07/383381707.db2.gz	GJPLNWXUHMVEDH-HNNXBMFYSA-N	-1	0	293.388	2.681	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634947104	383417519	/nfs/dbraw/zinc/41/75/19/383417519.db2.gz	HTWYVYYWXFEXMR-RYUDHWBXSA-N	-1	0	267.369	2.596	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1	ZINC000429351068	383521680	/nfs/dbraw/zinc/52/16/80/383521680.db2.gz	RVGOBGDZSVGCPX-SECBINFHSA-N	-1	0	273.342	2.875	20	30		CFEDRM
C=CCOc1ccc(CN=c2nc(C(C)(C)C)o[n-]2)cc1	ZINC000570874989	383644312	/nfs/dbraw/zinc/64/43/12/383644312.db2.gz	DGQYYLYMGMSPEE-UHFFFAOYSA-N	-1	0	287.363	2.966	20	30		CFEDRM
C=C[C@H](C)NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435427957	383774909	/nfs/dbraw/zinc/77/49/09/383774909.db2.gz	PRWFKORPTLXVGA-LURJTMIESA-N	-1	0	298.166	2.985	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cccc(Br)c1[O-]	ZINC000531351557	383855860	/nfs/dbraw/zinc/85/58/60/383855860.db2.gz	QOQTZZYQTZERGC-UHFFFAOYSA-N	-1	0	296.164	2.969	20	30		CFEDRM
C=CCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000646465545	384002598	/nfs/dbraw/zinc/00/25/98/384002598.db2.gz	MVFIXGHLTJWKTR-UHFFFAOYSA-N	-1	0	257.293	2.687	20	30		CFEDRM
C=C(CC)CN=c1[n-]nc(-c2ccc(OC)cc2)o1	ZINC000641623139	384244255	/nfs/dbraw/zinc/24/42/55/384244255.db2.gz	FKUOJXNIJMTQPZ-UHFFFAOYSA-N	-1	0	259.309	2.545	20	30		CFEDRM
CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000270263117	385035618	/nfs/dbraw/zinc/03/56/18/385035618.db2.gz	WMQLXTFVEDDOMV-SNVBAGLBSA-N	-1	0	288.244	2.721	20	30		CFEDRM
C=C[C@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1	ZINC000683305037	542665121	/nfs/dbraw/zinc/66/51/21/542665121.db2.gz	DXDGNXLVDLWFCI-CYBMUJFWSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1c([O-])cc(F)cc1F	ZINC000683883841	542736495	/nfs/dbraw/zinc/73/64/95/542736495.db2.gz	LSESHLVCFACJDX-JTQLQIEISA-N	-1	0	267.275	2.851	20	30		CFEDRM
C=CCN=c1[n-]nc(SC2C[C@H](C)O[C@@H](C)C2)s1	ZINC000338508005	393788871	/nfs/dbraw/zinc/78/88/71/393788871.db2.gz	FNIARDDSZDDVIB-IUCAKERBSA-N	-1	0	285.438	2.606	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NCCC(C)(C)C(=O)[O-])c1	ZINC000424370529	393842002	/nfs/dbraw/zinc/84/20/02/393842002.db2.gz	DPNLBEWMVZXFHE-UHFFFAOYSA-N	-1	0	274.320	2.674	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-]	ZINC000684733112	542849145	/nfs/dbraw/zinc/84/91/45/542849145.db2.gz	MEMJPGTYCODWMZ-QWHCGFSZSA-N	-1	0	284.400	2.872	20	30		CFEDRM
N#Cc1ccccc1/C=C1\Oc2cc([O-])ccc2C1=O	ZINC000120973538	393944827	/nfs/dbraw/zinc/94/48/27/393944827.db2.gz	FRSUDZDFNDWYLO-CHHVJCJISA-N	-1	0	263.252	2.880	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000263104362	393960839	/nfs/dbraw/zinc/96/08/39/393960839.db2.gz	WELZWHYZZLKRPQ-SWLSCSKDSA-N	-1	0	267.369	2.548	20	30		CFEDRM
CC(C)(C)CC[C@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000417575668	393977983	/nfs/dbraw/zinc/97/79/83/393977983.db2.gz	GMXSIIHFUBOIRX-AWEZNQCLSA-N	-1	0	295.408	2.774	20	30		CFEDRM
CC(C)n1c(S[C@@H](C)c2ccc(C#N)cc2)n[n-]c1=N	ZINC000358574208	394110295	/nfs/dbraw/zinc/11/02/95/394110295.db2.gz	APWJAXKXBUQBCM-JTQLQIEISA-N	-1	0	287.392	2.997	20	30		CFEDRM
CCC(CC)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000131738286	394140014	/nfs/dbraw/zinc/14/00/14/394140014.db2.gz	FEDWJUACZYHVHH-UHFFFAOYSA-N	-1	0	276.365	2.728	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000493127002	394156933	/nfs/dbraw/zinc/15/69/33/394156933.db2.gz	ZYMPCBYKCZUHNN-NHAQELONSA-N	-1	0	265.353	2.659	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1C#N	ZINC000137196580	394238518	/nfs/dbraw/zinc/23/85/18/394238518.db2.gz	UAVCOMRBJKEOQG-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nc(C2CC2)cs1	ZINC000647378096	395320429	/nfs/dbraw/zinc/32/04/29/395320429.db2.gz	UDZWRUDPQZHKFP-LBPRGKRZSA-N	-1	0	294.339	2.777	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377918	395320436	/nfs/dbraw/zinc/32/04/36/395320436.db2.gz	AQGCZZOJDWWHLV-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000648345096	395544717	/nfs/dbraw/zinc/54/47/17/395544717.db2.gz	QYZMUNPLNKRXJK-HIFRSBDPSA-N	-1	0	287.359	2.642	20	30		CFEDRM
CCC#C[C@H](C)Sc1n[n-]c(=NCCC)s1	ZINC000381349347	543087069	/nfs/dbraw/zinc/08/70/69/543087069.db2.gz	BHJSFGSXYDWMOK-VIFPVBQESA-N	-1	0	255.412	2.676	20	30		CFEDRM
C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc(O)cc2)no1	ZINC000656747346	413175159	/nfs/dbraw/zinc/17/51/59/413175159.db2.gz	JBFMPLGTIQSYGH-ZDUSSCGKSA-N	-1	0	287.319	2.586	20	30		CFEDRM
C=C[C@@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000653318640	413287705	/nfs/dbraw/zinc/28/77/05/413287705.db2.gz	SJAJSMALJBVCGG-VNHYZAJKSA-N	-1	0	287.359	2.810	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000653474076	413313841	/nfs/dbraw/zinc/31/38/41/413313841.db2.gz	YNCFTZHYBGRVAL-OLZOCXBDSA-N	-1	0	265.353	2.516	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000007056986	170264998	/nfs/dbraw/zinc/26/49/98/170264998.db2.gz	ZVRIOYDWCGFVOK-UHFFFAOYSA-N	-1	0	298.367	2.848	20	30		CFEDRM
CCCC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000035411128	172182264	/nfs/dbraw/zinc/18/22/64/172182264.db2.gz	IQPBYRURWXZNAP-LBPRGKRZSA-N	-1	0	277.280	2.522	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(C)(C)C)n2)n1	ZINC000654968929	414041581	/nfs/dbraw/zinc/04/15/81/414041581.db2.gz	UBXCNNQWCWUVRQ-JTQLQIEISA-N	-1	0	288.376	2.893	20	30		CFEDRM
CN(CCCC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000037393521	173173878	/nfs/dbraw/zinc/17/38/78/173173878.db2.gz	VHWCCNCRSRFAEO-UHFFFAOYSA-N	-1	0	295.726	2.540	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665325305	414282823	/nfs/dbraw/zinc/28/28/23/414282823.db2.gz	HHGOOWHJVNNAKQ-CQSZACIVSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC000659154451	414457363	/nfs/dbraw/zinc/45/73/63/414457363.db2.gz	QGHQUQNKNMFZHO-WFASDCNBSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)CC(=O)[O-]	ZINC000659168218	414459672	/nfs/dbraw/zinc/45/96/72/414459672.db2.gz	TZYQBHNWOOOPHY-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])n1	ZINC000659166498	414460012	/nfs/dbraw/zinc/46/00/12/414460012.db2.gz	OLSVFALENABNAP-NWDGAFQWSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	ZINC000659169937	414461256	/nfs/dbraw/zinc/46/12/56/414461256.db2.gz	MJDWUZUDYDPRFB-IHRRRGAJSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659410644	414517903	/nfs/dbraw/zinc/51/79/03/414517903.db2.gz	XZLLOOMADWSDLN-CRWXNKLISA-N	-1	0	294.395	2.674	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C#N	ZINC000038021308	174000075	/nfs/dbraw/zinc/00/00/75/174000075.db2.gz	QFHPANSCHMOORS-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1	ZINC000663127674	414653964	/nfs/dbraw/zinc/65/39/64/414653964.db2.gz	YRUDNURYOUCPID-CZUORRHYSA-N	-1	0	277.364	2.612	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000040547113	174325251	/nfs/dbraw/zinc/32/52/51/174325251.db2.gz	JSXMKKRDMUZPJA-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
Cc1ccc(C#N)c(NCCc2ccc(C(=O)[O-])cc2)n1	ZINC000043395276	175035817	/nfs/dbraw/zinc/03/58/17/175035817.db2.gz	VKFVKNLSXYIBRJ-UHFFFAOYSA-N	-1	0	281.315	2.615	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)oc2C)n1	ZINC000344636358	225110349	/nfs/dbraw/zinc/11/03/49/225110349.db2.gz	OBDJFXURPDBKSI-SECBINFHSA-N	-1	0	261.306	2.546	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)o1	ZINC000344629009	225122709	/nfs/dbraw/zinc/12/27/09/225122709.db2.gz	GUFJAHKCQPQDEW-SNVBAGLBSA-N	-1	0	280.287	2.658	20	30		CFEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCCC1	ZINC000329086635	227288455	/nfs/dbraw/zinc/28/84/55/227288455.db2.gz	GXKFPNVASSYZFV-UHFFFAOYSA-N	-1	0	272.308	2.956	20	30		CFEDRM
Cc1ncncc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000353855201	228159197	/nfs/dbraw/zinc/15/91/97/228159197.db2.gz	BIDVAEVGLXPJOP-SNVBAGLBSA-N	-1	0	286.360	2.855	20	30		CFEDRM
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCC	ZINC000188092185	260071222	/nfs/dbraw/zinc/07/12/22/260071222.db2.gz	DPAZMRPQGZYHTF-UHFFFAOYSA-N	-1	0	290.363	2.545	20	30		CFEDRM
N#CCCCCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000070940781	260158515	/nfs/dbraw/zinc/15/85/15/260158515.db2.gz	ORLIZQBASWWVOY-UHFFFAOYSA-N	-1	0	280.368	2.612	20	30		CFEDRM
CC(C)(C(=O)[N-]S(C)(=O)=O)c1cccc(Cl)c1	ZINC000077864973	260167399	/nfs/dbraw/zinc/16/73/99/260167399.db2.gz	WGDJGQFBUHKSMK-UHFFFAOYSA-N	-1	0	275.757	2.534	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519712	260655746	/nfs/dbraw/zinc/65/57/46/260655746.db2.gz	VQQGZWYXOQJSKQ-UHFFFAOYSA-N	-1	0	281.377	2.867	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000316048539	262381024	/nfs/dbraw/zinc/38/10/24/262381024.db2.gz	LLEDDSSGDZEZMM-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCCC(C)(C)C2=O)s1	ZINC000412978883	262753765	/nfs/dbraw/zinc/75/37/65/262753765.db2.gz	OOPXPROZVQASHU-SECBINFHSA-N	-1	0	297.449	2.798	20	30		CFEDRM
C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1	ZINC000280890174	263064880	/nfs/dbraw/zinc/06/48/80/263064880.db2.gz	BSGGWJQNJMMVHY-GSEDRRIASA-N	-1	0	298.726	2.798	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000287216275	263101409	/nfs/dbraw/zinc/10/14/09/263101409.db2.gz	MWWNDUKHRWGTDG-DXOCJUPFSA-N	-1	0	262.187	2.670	20	30		CFEDRM
C=C(CN=c1nc(C2CC2)[n-]s1)c1ccccc1	ZINC000340852327	263308749	/nfs/dbraw/zinc/30/87/49/263308749.db2.gz	PVPCUFNORACCNX-UHFFFAOYSA-N	-1	0	257.362	2.963	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1c(C)cccc1SC	ZINC000416949033	263766141	/nfs/dbraw/zinc/76/61/41/263766141.db2.gz	CSLXRURPUDWDAT-SNVBAGLBSA-N	-1	0	284.406	2.761	20	30		CFEDRM
CCCc1nc(=NC(=O)NCC2(C)CCCC2)s[n-]1	ZINC000330492551	263951363	/nfs/dbraw/zinc/95/13/63/263951363.db2.gz	QWDXLZDXLFWMTN-UHFFFAOYSA-N	-1	0	282.413	2.819	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)N[C@H](C)C2CCCC2)s1	ZINC000330774704	264034511	/nfs/dbraw/zinc/03/45/11/264034511.db2.gz	GWVUJSAFHCMYSB-SECBINFHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
Cc1cnc(C(=O)Nc2cnc(C(C)(C)C)nc2)c([O-])c1	ZINC000330889816	264064404	/nfs/dbraw/zinc/06/44/04/264064404.db2.gz	VOIAGEGROBBPPM-UHFFFAOYSA-N	-1	0	286.335	2.819	20	30		CFEDRM
C[C@H](CC1CCCCC1)NC(=O)N=c1[n-]ncs1	ZINC000331137594	264135207	/nfs/dbraw/zinc/13/52/07/264135207.db2.gz	QFLMFPAJBAIOLC-SECBINFHSA-N	-1	0	268.386	2.645	20	30		CFEDRM
Cc1nc(CC(C)C)sc1C(=O)N[C@@H](C)CC(=O)[O-]	ZINC000331159243	264142420	/nfs/dbraw/zinc/14/24/20/264142420.db2.gz	WLTZHNMXQRGNDR-QMMMGPOBSA-N	-1	0	284.381	2.818	20	30		CFEDRM
COc1cccc(Cl)c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000331215869	264164201	/nfs/dbraw/zinc/16/42/01/264164201.db2.gz	DCKZNURRZFCGQM-BDAKNGLRSA-N	-1	0	297.738	2.907	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ncoc2C2CC2)s1	ZINC000356186004	266065941	/nfs/dbraw/zinc/06/59/41/266065941.db2.gz	FXBKSQNNZPSJME-UHFFFAOYSA-N	-1	0	294.405	2.716	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000357533663	266316860	/nfs/dbraw/zinc/31/68/60/266316860.db2.gz	CTXPRYKQLUBNFC-UHFFFAOYSA-N	-1	0	271.238	2.624	20	30		CFEDRM
CCC[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)OCC	ZINC000528082453	267031665	/nfs/dbraw/zinc/03/16/65/267031665.db2.gz	JXJBEUSSLFKAFE-QMMMGPOBSA-N	-1	0	273.789	2.707	20	30		CFEDRM
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c([O-])c1	ZINC000188246644	267243242	/nfs/dbraw/zinc/24/32/42/267243242.db2.gz	HFDLYPXTTJNXPM-NSHDSACASA-N	-1	0	278.311	2.855	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000375756349	267899020	/nfs/dbraw/zinc/89/90/20/267899020.db2.gz	IHCSKOSFEBNVFT-GFCCVEGCSA-N	-1	0	292.389	2.567	20	30		CFEDRM
C=CCN(CC)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000376602411	268000161	/nfs/dbraw/zinc/00/01/61/268000161.db2.gz	ORHANAHYHQAHFQ-UHFFFAOYSA-N	-1	0	294.405	2.728	20	30		CFEDRM
CCCNc1ccc(C#N)cc1NC(=O)c1ncccc1[O-]	ZINC000127522892	280665178	/nfs/dbraw/zinc/66/51/78/280665178.db2.gz	PVHYSABVNXUNGA-UHFFFAOYSA-N	-1	0	296.330	2.733	20	30		CFEDRM
CCN=c1[n-]nc(SCc2ccc(C#N)s2)s1	ZINC000565371998	290298167	/nfs/dbraw/zinc/29/81/67/290298167.db2.gz	HNZFAICXAUKTLB-UHFFFAOYSA-N	-1	0	282.419	2.617	20	30		CFEDRM
COc1nc(-c2ccc(C)c(C(=O)[O-])c2)c(F)cc1C#N	ZINC001243194353	782056011	/nfs/dbraw/zinc/05/60/11/782056011.db2.gz	WLNYQQARAVUWDS-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243202910	782063455	/nfs/dbraw/zinc/06/34/55/782063455.db2.gz	DUFIDMCLGMVAQY-UHFFFAOYSA-N	-1	0	267.288	2.584	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N3CC[C@](C)(C(=O)[O-])C3)c2c1	ZINC000263405372	301928123	/nfs/dbraw/zinc/92/81/23/301928123.db2.gz	KJEUHGVKGNBCSW-KRWDZBQOSA-N	-1	0	295.342	2.716	20	30		CFEDRM
N#Cc1cc(N2CCC(C(=O)[O-])CC2)ccc1C(F)(F)F	ZINC000163838865	303184530	/nfs/dbraw/zinc/18/45/30/303184530.db2.gz	JJAYDCZARDDAMI-UHFFFAOYSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(-c2ccc(C#N)c(F)n2)ccc1C(=O)[O-]	ZINC001243212033	782072973	/nfs/dbraw/zinc/07/29/73/782072973.db2.gz	KUTHVRURQHKEQH-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])s3)cc12	ZINC001240847905	782081789	/nfs/dbraw/zinc/08/17/89/782081789.db2.gz	RKOKRUBHPZYRQY-UHFFFAOYSA-N	-1	0	269.285	2.861	20	30		CFEDRM
CC(C)(C)C[C@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000172156717	327762959	/nfs/dbraw/zinc/76/29/59/327762959.db2.gz	FDUJDKKBKKMULC-AAWHYMEISA-N	-1	0	280.324	2.516	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2ccccc2[O-])nn1	ZINC000191318608	327873178	/nfs/dbraw/zinc/87/31/78/327873178.db2.gz	UAJXDAJAAHCGMW-CMDGGOBGSA-N	-1	0	271.320	2.635	20	30		CFEDRM
C=CCCCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000563351334	328057227	/nfs/dbraw/zinc/05/72/27/328057227.db2.gz	YYVMODKMLVMWEQ-MELADBBJSA-N	-1	0	294.395	2.628	20	30		CFEDRM
CCC(CC)[C@@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000264611242	328160940	/nfs/dbraw/zinc/16/09/40/328160940.db2.gz	FKYWOVNUQBASPO-GFKDLEGOSA-N	-1	0	280.324	2.516	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000281874489	328241475	/nfs/dbraw/zinc/24/14/75/328241475.db2.gz	RQYLMTIUYLWBNN-OUTGYSNKSA-N	-1	0	290.319	2.701	20	30		CFEDRM
COc1ccc(C(F)(F)C(=O)N[C@]2(C#N)CC2(C)C)cc1	ZINC000291516057	328264048	/nfs/dbraw/zinc/26/40/48/328264048.db2.gz	XHGRWKJRMNMEIF-AWEZNQCLSA-N	-1	0	294.301	2.595	20	30		CFEDRM
N#CCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000291563148	328265245	/nfs/dbraw/zinc/26/52/45/328265245.db2.gz	WZVKETQMYJMGCW-UHFFFAOYSA-N	-1	0	256.664	2.817	20	30		CFEDRM
Cc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)c(C#N)c1	ZINC000572014789	322604457	/nfs/dbraw/zinc/60/44/57/322604457.db2.gz	BAXFNIYISIBABC-UHFFFAOYSA-N	-1	0	281.315	2.765	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000188208641	324009777	/nfs/dbraw/zinc/00/97/77/324009777.db2.gz	ZDLRRFRPYGOWMQ-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)Nc3ccccc3O)CC2)cc1	ZINC000188614184	324018694	/nfs/dbraw/zinc/01/86/94/324018694.db2.gz	PVFBOHIQGXWOHG-UHFFFAOYSA-N	-1	0	278.311	2.934	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(O)cc(F)c1	ZINC000349045085	324154651	/nfs/dbraw/zinc/15/46/51/324154651.db2.gz	IKAGISHQYZXCTH-IWQZZHSRSA-N	-1	0	284.246	2.667	20	30		CFEDRM
C=CCN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000583999642	326839907	/nfs/dbraw/zinc/83/99/07/326839907.db2.gz	SCHORAASHIDGAE-NSHDSACASA-N	-1	0	257.692	2.723	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262792165	326949472	/nfs/dbraw/zinc/94/94/72/326949472.db2.gz	BYQMWZUXKBTFJA-ZIAGYGMSSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000556708145	326959210	/nfs/dbraw/zinc/95/92/10/326959210.db2.gz	HAQBMPPWUKFTHF-KBPBESRZSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=CCCCCCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000263391304	327027490	/nfs/dbraw/zinc/02/74/90/327027490.db2.gz	YSOLUTODDPTQOZ-KGLIPLIRSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCCCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000263391305	327027498	/nfs/dbraw/zinc/02/74/98/327027498.db2.gz	YSOLUTODDPTQOZ-UONOGXRCSA-N	-1	0	296.411	2.875	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CCCC2)n1)c1ccncn1	ZINC000558893613	327129881	/nfs/dbraw/zinc/12/98/81/327129881.db2.gz	WZJACKGIQFEEAH-NSHDSACASA-N	-1	0	282.303	2.612	20	30		CFEDRM
Cc1noc(C)c1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000107066525	327247347	/nfs/dbraw/zinc/24/73/47/327247347.db2.gz	YUYYAUBNOKGYGZ-OVCLIPMQSA-N	-1	0	289.291	2.567	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1N=c1[n-]c(-c2cccc(Cl)c2)no1	ZINC000560232690	327291851	/nfs/dbraw/zinc/29/18/51/327291851.db2.gz	MTBMWVJLBVSRKT-NEPJUHHUSA-N	-1	0	291.738	2.567	20	30		CFEDRM
C=CC[C@@H](CC)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000393756894	329089411	/nfs/dbraw/zinc/08/94/11/329089411.db2.gz	HRWPYOWSZBPKMI-SECBINFHSA-N	-1	0	291.376	2.886	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1	ZINC000582630924	329119482	/nfs/dbraw/zinc/11/94/82/329119482.db2.gz	ZSMBSOSHISFZKG-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
CCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000181259392	329228186	/nfs/dbraw/zinc/22/81/86/329228186.db2.gz	RBUXSKOKXOMQMB-JTQLQIEISA-N	-1	0	294.314	2.614	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)CC	ZINC000398205050	329438353	/nfs/dbraw/zinc/43/83/53/329438353.db2.gz	GXBGMAZKMUFQSS-RYUDHWBXSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000398235348	329439030	/nfs/dbraw/zinc/43/90/30/329439030.db2.gz	VVWQBDIGAHRVEV-CMPLNLGQSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000262884630	330036101	/nfs/dbraw/zinc/03/61/01/330036101.db2.gz	KXCKBPSWECDRSU-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000262905581	330036757	/nfs/dbraw/zinc/03/67/57/330036757.db2.gz	MSFDHTNQEHMECD-GXFFZTMASA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000262987533	330038142	/nfs/dbraw/zinc/03/81/42/330038142.db2.gz	LCXRJPNFUBZLPV-CMPLNLGQSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000263204472	330048796	/nfs/dbraw/zinc/04/87/96/330048796.db2.gz	VPRZQJMSDOGLHS-VXGBXAGGSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000263204470	330049067	/nfs/dbraw/zinc/04/90/67/330049067.db2.gz	VPRZQJMSDOGLHS-NWDGAFQWSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000263208236	330049244	/nfs/dbraw/zinc/04/92/44/330049244.db2.gz	ILBSEHOSQLRHNF-AWEZNQCLSA-N	-1	0	290.363	2.858	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000263309990	330052028	/nfs/dbraw/zinc/05/20/28/330052028.db2.gz	WWUJBGASQNDKRS-PSASIEDQSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccoc1C(C)C)C(=O)[O-]	ZINC000263482890	330057358	/nfs/dbraw/zinc/05/73/58/330057358.db2.gz	AZEXXSGWEQLDIK-NSHDSACASA-N	-1	0	265.309	2.552	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000263553948	330059414	/nfs/dbraw/zinc/05/94/14/330059414.db2.gz	XXEBOQCQIWWVBN-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=CCCCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000279598558	330123741	/nfs/dbraw/zinc/12/37/41/330123741.db2.gz	GBPKBZJCSSDJGZ-UHFFFAOYSA-N	-1	0	259.227	2.506	20	30		CFEDRM
CC#CCCN=c1nc(-c2ccccc2C)[n-]s1	ZINC000527952960	330294537	/nfs/dbraw/zinc/29/45/37/330294537.db2.gz	GYBRYXKVNSBCRH-UHFFFAOYSA-N	-1	0	257.362	2.761	20	30		CFEDRM
C=C[C@H](CC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1	ZINC000431542567	330586272	/nfs/dbraw/zinc/58/62/72/330586272.db2.gz	DMBVHMPJUROICH-GFCCVEGCSA-N	-1	0	299.326	2.954	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000432806457	330607466	/nfs/dbraw/zinc/60/74/66/330607466.db2.gz	PIAXKJCPILNMEX-UHFFFAOYSA-N	-1	0	296.440	2.981	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000437520480	330701988	/nfs/dbraw/zinc/70/19/88/330701988.db2.gz	YKYBSWVIQPIOKO-RISCZKNCSA-N	-1	0	295.766	2.757	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000439940235	330744941	/nfs/dbraw/zinc/74/49/41/330744941.db2.gz	LFEMCKUKVYFQSK-UKRRQHHQSA-N	-1	0	289.375	2.882	20	30		CFEDRM
N#CC1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCCC1	ZINC000449003877	330890754	/nfs/dbraw/zinc/89/07/54/330890754.db2.gz	PWRPYFKZVIXBDT-ZDUSSCGKSA-N	-1	0	292.379	2.610	20	30		CFEDRM
C=C(C)CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000451796063	331042203	/nfs/dbraw/zinc/04/22/03/331042203.db2.gz	AHVXRDQYEBLCGZ-UHFFFAOYSA-N	-1	0	295.738	2.863	20	30		CFEDRM
C=CCCC[C@@H](C)Sc1n[n-]c(=NCCOC)s1	ZINC000462367416	331320625	/nfs/dbraw/zinc/32/06/25/331320625.db2.gz	BUIGRKLUZTWSJL-SNVBAGLBSA-N	-1	0	287.454	2.855	20	30		CFEDRM
C=CCCCCNC(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000473658402	331554757	/nfs/dbraw/zinc/55/47/57/331554757.db2.gz	MPAGEXUSFDKGBT-UHFFFAOYSA-N	-1	0	282.413	2.735	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000491716323	332306200	/nfs/dbraw/zinc/30/62/00/332306200.db2.gz	SXWUIXCLZZOPDG-SNVBAGLBSA-N	-1	0	274.345	2.648	20	30		CFEDRM
C=CCN(C(=O)/C=C\c1ccc(C(=O)[O-])cc1)C1CC1	ZINC000493040931	332423986	/nfs/dbraw/zinc/42/39/86/332423986.db2.gz	VEXGBLOEYCTZJF-YHYXMXQVSA-N	-1	0	271.316	2.575	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cnc(C3CC3)s2)nc(C)n1	ZINC000521554152	333178405	/nfs/dbraw/zinc/17/84/05/333178405.db2.gz	PNRVKGSTQBKWEL-NSHDSACASA-N	-1	0	298.371	2.917	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2cscc2s1	ZINC000528922158	333464805	/nfs/dbraw/zinc/46/48/05/333464805.db2.gz	YUSXEKNIDPBMAY-VIFPVBQESA-N	-1	0	292.385	2.810	20	30		CFEDRM
Cc1nc(C(C)C)sc1C([O-])=C(C#N)c1ccncn1	ZINC000546860753	334051873	/nfs/dbraw/zinc/05/18/73/334051873.db2.gz	QMGOZSNXCMBMFQ-SNVBAGLBSA-N	-1	0	286.360	2.855	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)co1	ZINC000547491015	334093625	/nfs/dbraw/zinc/09/36/25/334093625.db2.gz	OVKQWYOMOIVDQU-JTQLQIEISA-N	-1	0	294.314	2.912	20	30		CFEDRM
N#CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000549715371	334202594	/nfs/dbraw/zinc/20/25/94/334202594.db2.gz	LIDCBOSSFVOMRO-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
N#CC(=C([O-])c1scnc1C1CC1)c1ccccn1	ZINC000089966724	334354518	/nfs/dbraw/zinc/35/45/18/334354518.db2.gz	XOLFJKYKULBIPX-JTQLQIEISA-N	-1	0	269.329	2.906	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000262946562	334581386	/nfs/dbraw/zinc/58/13/86/334581386.db2.gz	QGTWVCNCMLUVFX-LLVKDONJSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000263006694	334583258	/nfs/dbraw/zinc/58/32/58/334583258.db2.gz	WVPDDTXFLTVCAZ-NSHDSACASA-N	-1	0	293.388	2.776	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000568155536	334797204	/nfs/dbraw/zinc/79/72/04/334797204.db2.gz	YAUYTYBVTLJJST-SECBINFHSA-N	-1	0	274.301	2.737	20	30		CFEDRM
C=CCN(CC=C)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1	ZINC000577499920	335360122	/nfs/dbraw/zinc/36/01/22/335360122.db2.gz	LIUXAPXJIBYZRW-HNNXBMFYSA-N	-1	0	291.347	2.504	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC(C)(C)CC#N)s1	ZINC000581836157	336150174	/nfs/dbraw/zinc/15/01/74/336150174.db2.gz	VOJVKZGQCGLEBG-UHFFFAOYSA-N	-1	0	268.411	2.590	20	30		CFEDRM
COc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243322472	782135774	/nfs/dbraw/zinc/13/57/74/782135774.db2.gz	BRWVBUKBJZQVDC-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
Cc1ncc(C#N)c(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243322496	782136391	/nfs/dbraw/zinc/13/63/91/782136391.db2.gz	CPONFZNFPUKCPC-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cc(Cl)cc(C(=O)[O-])c3)ncc12	ZINC001243323870	782139147	/nfs/dbraw/zinc/13/91/47/782139147.db2.gz	GZWSNUCXQAUWAU-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1F)CCOC2	ZINC001243340376	782144161	/nfs/dbraw/zinc/14/41/61/782144161.db2.gz	WRYMICDNGKEXPS-UHFFFAOYSA-N	-1	0	288.253	2.677	20	30		CFEDRM
CC(C)(CCNc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000310705557	519217273	/nfs/dbraw/zinc/21/72/73/519217273.db2.gz	CKYJHWLANONYAQ-UHFFFAOYSA-N	-1	0	267.716	2.519	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)[O-]	ZINC000127755304	519353692	/nfs/dbraw/zinc/35/36/92/519353692.db2.gz	KTLABLIOVODJSY-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000051636326	521387354	/nfs/dbraw/zinc/38/73/54/521387354.db2.gz	GVBFUAIDHBDTJQ-UHFFFAOYSA-N	-1	0	292.310	2.917	20	30		CFEDRM
CCCN(CCC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000074351416	521641075	/nfs/dbraw/zinc/64/10/75/521641075.db2.gz	CFIFXLOJPOJMEP-UHFFFAOYSA-N	-1	0	293.392	2.643	20	30		CFEDRM
CC[C@@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361762485	523183791	/nfs/dbraw/zinc/18/37/91/523183791.db2.gz	BEVGQXKSJJQBGH-OCCSQVGLSA-N	-1	0	288.395	2.912	20	30		CFEDRM
Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000186491989	524507506	/nfs/dbraw/zinc/50/75/06/524507506.db2.gz	LQMBIWZWXQVLKJ-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000347602270	534850118	/nfs/dbraw/zinc/85/01/18/534850118.db2.gz	WWSUVBVFFUFZFL-VIFPVBQESA-N	-1	0	282.328	2.818	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cc(Cl)cc(Cl)c2)c1C#N	ZINC000336418204	525399420	/nfs/dbraw/zinc/39/94/20/525399420.db2.gz	BTCAULIUWNJEKJ-UHFFFAOYSA-N	-1	0	295.129	2.571	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cc(C)c(C)cc2Cl)c1C#N	ZINC000336141635	525400317	/nfs/dbraw/zinc/40/03/17/525400317.db2.gz	KJHQXMFBVOGQTG-UHFFFAOYSA-N	-1	0	288.738	2.534	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(Br)cc1C#N	ZINC000132712004	526252880	/nfs/dbraw/zinc/25/28/80/526252880.db2.gz	WAQILQBXDZNTPZ-SSDOTTSWSA-N	-1	0	283.125	2.596	20	30		CFEDRM
C[C@H]1CCCC[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000335110911	526259931	/nfs/dbraw/zinc/25/99/31/526259931.db2.gz	PSKHLGOTCXUUJR-WCQYABFASA-N	-1	0	288.395	2.696	20	30		CFEDRM
CC(C)(C)Cc1n[n-]c(=NCc2ccc(C#N)c(F)c2)o1	ZINC000421809687	526276142	/nfs/dbraw/zinc/27/61/42/526276142.db2.gz	CDLWJPKVANJPQK-UHFFFAOYSA-N	-1	0	288.326	2.703	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000054297491	526552824	/nfs/dbraw/zinc/55/28/24/526552824.db2.gz	ACTRJAJOAQXMPS-SNVBAGLBSA-N	-1	0	278.739	2.903	20	30		CFEDRM
N#Cc1ccc(F)c(CN=c2[n-]nc(C(F)F)s2)c1	ZINC000360993578	526638191	/nfs/dbraw/zinc/63/81/91/526638191.db2.gz	CLLBVLAYNIGFKQ-UHFFFAOYSA-N	-1	0	284.266	2.520	20	30		CFEDRM
C=CCn1c(CCC(C)C)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000350741355	527315857	/nfs/dbraw/zinc/31/58/57/527315857.db2.gz	OBHRLOQGQYZRDR-UHFFFAOYSA-N	-1	0	288.399	2.558	20	30		CFEDRM
CC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1	ZINC000329083604	528863029	/nfs/dbraw/zinc/86/30/29/528863029.db2.gz	FITNFDLPTQSYBJ-UHFFFAOYSA-N	-1	0	258.281	2.565	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000736427571	574051735	/nfs/dbraw/zinc/05/17/35/574051735.db2.gz	AOGTULGGVAZHGW-ZDUSSCGKSA-N	-1	0	276.336	2.988	20	30		CFEDRM
N#CCCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740308320	574055752	/nfs/dbraw/zinc/05/57/52/574055752.db2.gz	XOPFGAWWPCDKQC-UHFFFAOYSA-N	-1	0	273.336	2.511	20	30		CFEDRM
C[C@H](CC(=O)[O-])Sc1ncc(C#N)cc1Cl	ZINC000736555144	574059943	/nfs/dbraw/zinc/05/99/43/574059943.db2.gz	BNFXRZGRECBXLY-ZCFIWIBFSA-N	-1	0	256.714	2.562	20	30		CFEDRM
COCc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737835157	574060631	/nfs/dbraw/zinc/06/06/31/574060631.db2.gz	UQTRTOLXTKVYDC-INIZCTEOSA-N	-1	0	296.326	2.942	20	30		CFEDRM
CC(F)(F)CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736629793	574062514	/nfs/dbraw/zinc/06/25/14/574062514.db2.gz	OMYMHLLPWIJQMV-LBPRGKRZSA-N	-1	0	297.257	2.663	20	30		CFEDRM
C[C@@H](NN=Cc1cc(C(=O)[O-])ccc1O)c1ccccc1	ZINC000736663943	574064153	/nfs/dbraw/zinc/06/41/53/574064153.db2.gz	JCUKNPQUUKNBLT-LLVKDONJSA-N	-1	0	284.315	2.775	20	30		CFEDRM
C#CCN(CC)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738459743	574065598	/nfs/dbraw/zinc/06/55/98/574065598.db2.gz	BUORVVHMWYEWHK-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)c1	ZINC000738471743	574077242	/nfs/dbraw/zinc/07/72/42/574077242.db2.gz	YZQCTXQVIQBPCM-UHFFFAOYSA-N	-1	0	296.282	2.716	20	30		CFEDRM
CCO[C@H]1CC(=NNc2cnnc([O-])c2Cl)C12CCC2	ZINC000741164153	574086065	/nfs/dbraw/zinc/08/60/65/574086065.db2.gz	ZMABWLZUUFPLHO-JTQLQIEISA-N	-1	0	296.758	2.583	20	30		CFEDRM
CCC/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736975043	574089230	/nfs/dbraw/zinc/08/92/30/574089230.db2.gz	PQWIFJGOJQRUBK-ZRUQZJFASA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000738493049	574095331	/nfs/dbraw/zinc/09/53/31/574095331.db2.gz	JFAUWYOROUADRW-MCIONIFRSA-N	-1	0	294.395	2.722	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@@H]2CCO[C@@H]21	ZINC000737426627	574139912	/nfs/dbraw/zinc/13/99/12/574139912.db2.gz	BVGWGMFCQFMQAV-GWCFXTLKSA-N	-1	0	274.320	2.598	20	30		CFEDRM
CN(Cc1cc(C#N)ccc1F)[C@@H](C(=O)[O-])c1ccccc1	ZINC000737454358	574142801	/nfs/dbraw/zinc/14/28/01/574142801.db2.gz	MYXAJSZVMCEPKQ-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
CN(Cc1ccc(Nc2ccc(C#N)cn2)cc1)C(=O)[O-]	ZINC000737485884	574144221	/nfs/dbraw/zinc/14/42/21/574144221.db2.gz	KEBVRXIBAVNWPC-UHFFFAOYSA-N	-1	0	282.303	2.807	20	30		CFEDRM
COc1ccc(O)c(C=Nc2cccc(CC(=O)[O-])c2)c1	ZINC000738104537	574158081	/nfs/dbraw/zinc/15/80/81/574158081.db2.gz	IOPXZFQZFWUZPC-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H]2C[C@@H]2c2ccccc2)n1	ZINC000755463415	574163501	/nfs/dbraw/zinc/16/35/01/574163501.db2.gz	IOSHDFNBSVPOAW-CHWSQXEVSA-N	-1	0	268.320	2.692	20	30		CFEDRM
Cc1cc(NC(=O)/C=C\c2ccccc2C#N)c(C(=O)[O-])[nH]1	ZINC000738425363	574168518	/nfs/dbraw/zinc/16/85/18/574168518.db2.gz	PKPJATPQSWYNNX-SREVYHEPSA-N	-1	0	295.298	2.545	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cn2cccc(F)c2n1	ZINC000755602292	574170876	/nfs/dbraw/zinc/17/08/76/574170876.db2.gz	VXPIHBQFMXZNOP-UHFFFAOYSA-N	-1	0	298.277	2.618	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738490412	574171352	/nfs/dbraw/zinc/17/13/52/574171352.db2.gz	SYPCYFASUYBDEP-UHFFFAOYSA-N	-1	0	275.308	2.982	20	30		CFEDRM
O=C([O-])Cc1cccc(N=Cc2ccccc2O)c1	ZINC000738620373	574176938	/nfs/dbraw/zinc/17/69/38/574176938.db2.gz	NUGASZFLPRBESK-UHFFFAOYSA-N	-1	0	255.273	2.770	20	30		CFEDRM
CC(C)(CCC(=O)Nc1ccc(CC#N)cc1)NC(=O)[O-]	ZINC000738743282	574182850	/nfs/dbraw/zinc/18/28/50/574182850.db2.gz	HQZVOURAWKBUKJ-UHFFFAOYSA-N	-1	0	289.335	2.518	20	30		CFEDRM
CC(C)[C@H](CNc1ccc(C#N)c(Cl)c1)NC(=O)[O-]	ZINC000738788721	574184533	/nfs/dbraw/zinc/18/45/33/574184533.db2.gz	KAYYEJVMARXHIP-LBPRGKRZSA-N	-1	0	281.743	2.916	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(C(=O)[O-])cc1	ZINC000755817504	574189701	/nfs/dbraw/zinc/18/97/01/574189701.db2.gz	LUZQFTIYQYBDDE-CYBMUJFWSA-N	-1	0	263.293	2.652	20	30		CFEDRM
C[C@H](NC(=S)NN=Cc1cccc(Cl)c1[O-])C1CC1	ZINC000753166278	574190469	/nfs/dbraw/zinc/19/04/69/574190469.db2.gz	FEVVGFXLKXIIIC-QMMMGPOBSA-N	-1	0	297.811	2.642	20	30		CFEDRM
C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000739042147	574194545	/nfs/dbraw/zinc/19/45/45/574194545.db2.gz	IMEFUTFKQJYSQU-SNVBAGLBSA-N	-1	0	290.319	2.599	20	30		CFEDRM
C[C@H](NN=C1CCC(NC(=O)[O-])CC1)c1ccccc1	ZINC000739040578	574195010	/nfs/dbraw/zinc/19/50/10/574195010.db2.gz	UKODWTCAXOOWAK-AMGKYWFPSA-N	-1	0	275.352	2.903	20	30		CFEDRM
N#CCc1cccc(C(=O)Oc2cccc(CC(=O)[O-])c2)c1	ZINC000739092680	574198118	/nfs/dbraw/zinc/19/81/18/574198118.db2.gz	TZZQRNFEXGHDAZ-UHFFFAOYSA-N	-1	0	295.294	2.599	20	30		CFEDRM
N#Cc1ccccc1NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739147661	574199607	/nfs/dbraw/zinc/19/96/07/574199607.db2.gz	YGGZZGFOSULWEF-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1	ZINC000739122274	574199683	/nfs/dbraw/zinc/19/96/83/574199683.db2.gz	DPIWZQFTTULNOK-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000748005437	574224672	/nfs/dbraw/zinc/22/46/72/574224672.db2.gz	KKASLFUHEWNMLC-WCQYABFASA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C([O-])N1CCC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1	ZINC000739924399	574229608	/nfs/dbraw/zinc/22/96/08/574229608.db2.gz	HDONPTGQNDONKP-YRUBURHZSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2ccccc2)cc1[O-]	ZINC000748133563	574231199	/nfs/dbraw/zinc/23/11/99/574231199.db2.gz	IBTHUUYYQQXJFZ-UHFFFAOYSA-N	-1	0	257.249	2.746	20	30		CFEDRM
O=C([O-])c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)o1	ZINC000740125836	574237720	/nfs/dbraw/zinc/23/77/20/574237720.db2.gz	PMNRFFCGMVJHMD-CAOOACKPSA-N	-1	0	296.282	2.851	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NOCc2ccccc2)c1	ZINC000740159740	574239967	/nfs/dbraw/zinc/23/99/67/574239967.db2.gz	BNBUUMPSEFDJKL-UHFFFAOYSA-N	-1	0	271.272	2.641	20	30		CFEDRM
O=C([O-])c1coc(CON=Cc2ccc(F)cc2)c1	ZINC000740269255	574244919	/nfs/dbraw/zinc/24/49/19/574244919.db2.gz	LSZCCRMIJHUIPY-UHFFFAOYSA-N	-1	0	263.224	2.668	20	30		CFEDRM
N#Cc1cc(F)c(NC2CCC(NC(=O)[O-])CC2)c(F)c1	ZINC000740310093	574246778	/nfs/dbraw/zinc/24/67/78/574246778.db2.gz	ARULGTNGTJPTSD-UHFFFAOYSA-N	-1	0	295.289	2.827	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1	ZINC000740322408	574247079	/nfs/dbraw/zinc/24/70/79/574247079.db2.gz	BNLKOWMBERGXQL-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
CCCCSCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748412250	574251299	/nfs/dbraw/zinc/25/12/99/574251299.db2.gz	OIVFLCZZFWKUAE-UHFFFAOYSA-N	-1	0	264.350	2.736	20	30		CFEDRM
CC1(C)C(C(=O)Nc2cc(C#N)ccc2[O-])C1(C)C	ZINC000748412315	574251418	/nfs/dbraw/zinc/25/14/18/574251418.db2.gz	QLSHMJUXHFELEE-UHFFFAOYSA-N	-1	0	258.321	2.885	20	30		CFEDRM
O=C([O-])N1CCc2cc(N=Cc3cccc(O)c3O)ccc21	ZINC000740529943	574254239	/nfs/dbraw/zinc/25/42/39/574254239.db2.gz	PWDYCSQSRFLAIJ-UHFFFAOYSA-N	-1	0	298.298	2.889	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2ccccc2[N+](=O)[O-])CC1	ZINC000740551839	574255178	/nfs/dbraw/zinc/25/51/78/574255178.db2.gz	XBEREHISCMCHBH-UHFFFAOYSA-N	-1	0	292.295	2.573	20	30		CFEDRM
N#CCOc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1	ZINC000730149448	574255984	/nfs/dbraw/zinc/25/59/84/574255984.db2.gz	IHMDPEBBIFYHST-PLNGDYQASA-N	-1	0	286.312	2.914	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc(Cl)nc2)cc1	ZINC000748778801	574265886	/nfs/dbraw/zinc/26/58/86/574265886.db2.gz	QJHHSBCRRBBHAC-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cnc3ccccn23)s1	ZINC000740764827	574266490	/nfs/dbraw/zinc/26/64/90/574266490.db2.gz	HMNHOTVUJCSHFX-PLNGDYQASA-N	-1	0	298.323	2.990	20	30		CFEDRM
CCCCC(COC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905714	574271969	/nfs/dbraw/zinc/27/19/69/574271969.db2.gz	GGQDPIIMCJLPOU-UHFFFAOYSA-N	-1	0	294.351	2.998	20	30		CFEDRM
C[C@@](C#N)([N-]C(=O)C(F)(F)C(F)F)C1CCCCC1	ZINC000749390381	574292602	/nfs/dbraw/zinc/29/26/02/574292602.db2.gz	AHXPCOTUPGWSCS-NSHDSACASA-N	-1	0	280.265	2.866	20	30		CFEDRM
CC(C)[C@H](CNc1c(F)cc(C#N)cc1F)NC(=O)[O-]	ZINC000738791403	574297534	/nfs/dbraw/zinc/29/75/34/574297534.db2.gz	VFNIYQXIWAUANM-NSHDSACASA-N	-1	0	283.278	2.541	20	30		CFEDRM
COc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1C#N	ZINC000737980133	574303967	/nfs/dbraw/zinc/30/39/67/574303967.db2.gz	AEBUJUNTZLSQNO-ZROIWOOFSA-N	-1	0	280.283	2.587	20	30		CFEDRM
Cc1ccc([C@H]2CCCC2N=Nc2nnc(C)c(=O)[n-]2)cc1	ZINC000741836020	574306106	/nfs/dbraw/zinc/30/61/06/574306106.db2.gz	ADTJXDAQVUMXAO-CYBMUJFWSA-N	-1	0	297.362	2.930	20	30		CFEDRM
C[C@@]([N-]C(=O)C(F)(F)C(F)F)(C1CC1)C(F)(F)F	ZINC000750197608	574330470	/nfs/dbraw/zinc/33/04/70/574330470.db2.gz	JOGKCHAQNFEYRH-SSDOTTSWSA-N	-1	0	281.171	2.734	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000735880603	574341040	/nfs/dbraw/zinc/34/10/40/574341040.db2.gz	YQCLITYEVBTTKS-SECBINFHSA-N	-1	0	275.333	2.539	20	30		CFEDRM
c1nc2nc[n-]c(NN=C(CC3CC3)c3ccccc3)c-2n1	ZINC000735972087	574345179	/nfs/dbraw/zinc/34/51/79/574345179.db2.gz	KZQJMNLNQGVPKJ-UHFFFAOYSA-N	-1	0	292.346	2.969	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000736102707	574350245	/nfs/dbraw/zinc/35/02/45/574350245.db2.gz	SXAXUVMBQRMALD-LLVKDONJSA-N	-1	0	278.304	2.580	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)CCCN(C)C(=O)[O-]	ZINC000736108890	574350258	/nfs/dbraw/zinc/35/02/58/574350258.db2.gz	UKMACCFNLKIGSO-UHFFFAOYSA-N	-1	0	290.363	2.591	20	30		CFEDRM
C#CCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000736089755	574350310	/nfs/dbraw/zinc/35/03/10/574350310.db2.gz	PMWPONYERKSNEF-MRXNPFEDSA-N	-1	0	281.311	2.936	20	30		CFEDRM
COc1ccc(C(C)=NO[C@@H]2CCCCO2)c(O)c1	ZINC000755824095	574350857	/nfs/dbraw/zinc/35/08/57/574350857.db2.gz	UYTCZFZRGIAOMY-CQSZACIVSA-N	-1	0	265.309	2.668	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1ccccc1NC(=O)[O-]	ZINC000736095369	574350889	/nfs/dbraw/zinc/35/08/89/574350889.db2.gz	SEJIUSWQDMITIX-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000736095767	574351339	/nfs/dbraw/zinc/35/13/39/574351339.db2.gz	BCKDVIWKQDTIQW-UHFFFAOYSA-N	-1	0	292.310	2.954	20	30		CFEDRM
C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736122171	574351939	/nfs/dbraw/zinc/35/19/39/574351939.db2.gz	WXNDPTMNWYTKLR-HQPKTYMTSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C[C@@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)[O-]	ZINC000736201527	574354118	/nfs/dbraw/zinc/35/41/18/574354118.db2.gz	HPPZGJXEICLNHT-UWVGGRQHSA-N	-1	0	264.350	2.823	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000398061428	574362333	/nfs/dbraw/zinc/36/23/33/574362333.db2.gz	CJZWINLHFQFCIB-OCCSQVGLSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cccc(F)c1	ZINC000751130309	574369894	/nfs/dbraw/zinc/36/98/94/574369894.db2.gz	HXJVHESWFRETDS-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
C=CCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000825664847	601437565	/nfs/dbraw/zinc/43/75/65/601437565.db2.gz	NNHLCTIGIMYCCU-LBPRGKRZSA-N	-1	0	259.305	2.558	20	30		CFEDRM
CCCCCCCC(=O)NC1(C(=O)[O-])CCCC1	ZINC000059098594	597031859	/nfs/dbraw/zinc/03/18/59/597031859.db2.gz	KRFQHGMBLFLCSH-UHFFFAOYSA-N	-1	0	255.358	2.861	20	30		CFEDRM
N#Cc1ccc(F)c(CNc2cccc(CC(=O)[O-])c2)c1	ZINC000819100587	597494680	/nfs/dbraw/zinc/49/46/80/597494680.db2.gz	QVODRBXZRBTBAS-UHFFFAOYSA-N	-1	0	284.290	2.937	20	30		CFEDRM
O=C([O-])CCNN=C1CC=C(c2ccc(F)cc2)CC1	ZINC000821525467	597742018	/nfs/dbraw/zinc/74/20/18/597742018.db2.gz	WUSMOPONJSYMKD-UHFFFAOYSA-N	-1	0	276.311	2.813	20	30		CFEDRM
O=C([O-])C1CCC(=NNC(=S)Nc2ccccc2)CC1	ZINC000814713506	598095836	/nfs/dbraw/zinc/09/58/36/598095836.db2.gz	BGQTZLMVXXZJNX-UHFFFAOYSA-N	-1	0	291.376	2.604	20	30		CFEDRM
N#Cc1cc(Cl)nc(N=NC2CCC(C(=O)[O-])CC2)c1	ZINC000814891546	598097506	/nfs/dbraw/zinc/09/75/06/598097506.db2.gz	MVPBYXCTZRWRIH-UHFFFAOYSA-N	-1	0	292.726	2.649	20	30		CFEDRM
N#Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000027189565	598153997	/nfs/dbraw/zinc/15/39/97/598153997.db2.gz	ZDQCSTUYIDFMOR-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
N#CCCN(Cc1cccc(C(=O)[O-])c1)Cc1ccccn1	ZINC000821324730	598211254	/nfs/dbraw/zinc/21/12/54/598211254.db2.gz	MFIIKJYMASXEQE-UHFFFAOYSA-N	-1	0	295.342	2.696	20	30		CFEDRM
C[C@H](C#N)CN(Cc1cccc(C(=O)[O-])c1)C1CC1	ZINC000819874922	598211782	/nfs/dbraw/zinc/21/17/82/598211782.db2.gz	SRCDMHQWDFCJII-LLVKDONJSA-N	-1	0	258.321	2.509	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CCCC2	ZINC000819857478	598221714	/nfs/dbraw/zinc/22/17/14/598221714.db2.gz	XPSSEPLGOAVFBF-MRXNPFEDSA-N	-1	0	286.331	2.508	20	30		CFEDRM
Cc1cc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)s1	ZINC000820963809	598224001	/nfs/dbraw/zinc/22/40/01/598224001.db2.gz	VPIRCZMYCIHUEM-YMTOWFKASA-N	-1	0	294.376	2.547	20	30		CFEDRM
C=CCN(C/C=C(/C)C(=O)[O-])Cc1ccccc1F	ZINC000825682189	601051477	/nfs/dbraw/zinc/05/14/77/601051477.db2.gz	SBBWIGHRGUTPIB-WQLSENKSSA-N	-1	0	263.312	2.845	20	30		CFEDRM
N#Cc1ccnc(SCc2cc(C(=O)[O-])co2)c1	ZINC000236470183	599804493	/nfs/dbraw/zinc/80/44/93/599804493.db2.gz	ZDYOMQSPMODALF-UHFFFAOYSA-N	-1	0	260.274	2.537	20	30		CFEDRM
N#Cc1cc(F)ccc1COc1cccc(C(=O)[O-])c1	ZINC000071249558	599891114	/nfs/dbraw/zinc/89/11/14/599891114.db2.gz	YNDMYHCGFLXGDR-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#CCN(Cc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000094657338	600437696	/nfs/dbraw/zinc/43/76/96/600437696.db2.gz	AOFDHDPPZSMCMA-UHFFFAOYSA-N	-1	0	258.321	2.653	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1ccc(C#N)cc1F	ZINC000090097172	600584785	/nfs/dbraw/zinc/58/47/85/600584785.db2.gz	GOKBGYKKHXZWLT-MRVPVSSYSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C/C(=C\CSc1nc2c(c(C)c1C#N)CCC2)C(=O)[O-]	ZINC000825792850	600726596	/nfs/dbraw/zinc/72/65/96/600726596.db2.gz	JNYHOBFCWRCICC-RMKNXTFCSA-N	-1	0	288.372	2.873	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000825636493	600929554	/nfs/dbraw/zinc/92/95/54/600929554.db2.gz	LXVSYMWLDLXFCR-KBPBESRZSA-N	-1	0	285.343	2.522	20	30		CFEDRM
C=CCOCCCC(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000825698812	600945602	/nfs/dbraw/zinc/94/56/02/600945602.db2.gz	LFSKIHCMMBNTRB-UHFFFAOYSA-N	-1	0	278.304	2.581	20	30		CFEDRM
CN(CC#N)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000830660652	600993304	/nfs/dbraw/zinc/99/33/04/600993304.db2.gz	AMBSULFHSUEULZ-SNVBAGLBSA-N	-1	0	273.119	2.574	20	30		CFEDRM
CCN(CCC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000829692700	601011881	/nfs/dbraw/zinc/01/18/81/601011881.db2.gz	NAACTEGVRIGZEF-LBPRGKRZSA-N	-1	0	266.728	2.701	20	30		CFEDRM
C#CC[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000825600320	601143452	/nfs/dbraw/zinc/14/34/52/601143452.db2.gz	JNBVYNOOBGOUHP-HNNXBMFYSA-N	-1	0	286.327	2.663	20	30		CFEDRM
Cc1ccc(N=Cc2ccc(O)c(O)c2O)cc1C(=O)[O-]	ZINC000832938426	601177526	/nfs/dbraw/zinc/17/75/26/601177526.db2.gz	IWPDXZWMCNSCAZ-UHFFFAOYSA-N	-1	0	287.271	2.561	20	30		CFEDRM
C#CC[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000825600248	601194397	/nfs/dbraw/zinc/19/43/97/601194397.db2.gz	BWVVNWJGUXJPFJ-OAHLLOKOSA-N	-1	0	288.343	2.909	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)C(C)C	ZINC000825600378	601194489	/nfs/dbraw/zinc/19/44/89/601194489.db2.gz	MCOKUOIDAJXYBE-CYBMUJFWSA-N	-1	0	260.289	2.590	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)s1	ZINC000833071465	601200396	/nfs/dbraw/zinc/20/03/96/601200396.db2.gz	GCUBKTUYOSUNMR-ARJAWSKDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccc(F)cc3C2=O)o1	ZINC000833312107	601201454	/nfs/dbraw/zinc/20/14/54/601201454.db2.gz	JLLCBVRKBXUSDQ-TWGQIWQCSA-N	-1	0	272.231	2.939	20	30		CFEDRM
Cc1csc(C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000832988853	601235751	/nfs/dbraw/zinc/23/57/51/601235751.db2.gz	KTBCNCFGYOTLFI-GARJFASQSA-N	-1	0	292.360	2.519	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000126767370	601269539	/nfs/dbraw/zinc/26/95/39/601269539.db2.gz	PDWDCVMSANDQOT-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
Cc1cc(NC(=O)Cc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC000821013688	601282795	/nfs/dbraw/zinc/28/27/95/601282795.db2.gz	UMDVWAQSADKBCB-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
CCC1CCC(NC(=O)C#Cc2ccccc2)(C(=O)[O-])CC1	ZINC000314195826	601294495	/nfs/dbraw/zinc/29/44/95/601294495.db2.gz	ZXARIVMLRGUYOX-UHFFFAOYSA-N	-1	0	299.370	2.578	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)s1	ZINC000832910969	601330832	/nfs/dbraw/zinc/33/08/32/601330832.db2.gz	GMEZCDGTVWTSPI-XQRVVYSFSA-N	-1	0	261.302	2.979	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/COc3ccc(F)cc3C2=O)[nH]1	ZINC000833312212	601332721	/nfs/dbraw/zinc/33/27/21/601332721.db2.gz	MDYUFSZNLIILPG-YVMONPNESA-N	-1	0	287.246	2.511	20	30		CFEDRM
CCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829305493	601344199	/nfs/dbraw/zinc/34/41/99/601344199.db2.gz	ZLOWSDNZQNFDEM-CQSZACIVSA-N	-1	0	275.304	2.807	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)c2ccc(F)cc2)C(=O)[O-])c1	ZINC000833077182	601344660	/nfs/dbraw/zinc/34/46/60/601344660.db2.gz	MIIMFOMWELKCRK-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832963192	601345192	/nfs/dbraw/zinc/34/51/92/601345192.db2.gz	NQJVPWDXDOSGMD-OAHLLOKOSA-N	-1	0	295.294	2.849	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)c2ccccc2F)C(=O)[O-])c1	ZINC000833077124	601347826	/nfs/dbraw/zinc/34/78/26/601347826.db2.gz	LGHUCKMMXLYGLV-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
O=C([O-])[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1	ZINC000833188814	601411385	/nfs/dbraw/zinc/41/13/85/601411385.db2.gz	MGRBGYHEBUFJHN-AWEZNQCLSA-N	-1	0	277.751	2.631	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000825671365	601434893	/nfs/dbraw/zinc/43/48/93/601434893.db2.gz	NQIDHWSERJDTJV-CQSZACIVSA-N	-1	0	291.347	2.684	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000825670991	601447903	/nfs/dbraw/zinc/44/79/03/601447903.db2.gz	ADCGJYWKWLKGFN-UHFFFAOYSA-N	-1	0	293.319	2.697	20	30		CFEDRM
Cc1cc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1	ZINC000832872443	601469494	/nfs/dbraw/zinc/46/94/94/601469494.db2.gz	UNXFMRLHWQSADQ-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000063097410	601617886	/nfs/dbraw/zinc/61/78/86/601617886.db2.gz	ZBBCOBWBCPNMAU-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000111248850	601706645	/nfs/dbraw/zinc/70/66/45/601706645.db2.gz	XOLZMXGRAGPLSV-NWDGAFQWSA-N	-1	0	255.358	2.526	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000111248857	601706649	/nfs/dbraw/zinc/70/66/49/601706649.db2.gz	XOLZMXGRAGPLSV-NEPJUHHUSA-N	-1	0	255.358	2.526	20	30		CFEDRM
Cc1ccsc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832984166	601793198	/nfs/dbraw/zinc/79/31/98/601793198.db2.gz	KWLZBCGWQLDFPC-NSCUHMNNSA-N	-1	0	261.302	2.979	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CC2	ZINC000832487296	601794111	/nfs/dbraw/zinc/79/41/11/601794111.db2.gz	WKYHNGCRGBEWSL-WUXMJOGZSA-N	-1	0	297.310	2.934	20	30		CFEDRM
CCCCCC[C@@H](C)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814859056	601797894	/nfs/dbraw/zinc/79/78/94/601797894.db2.gz	MKEKKLIAEAZJKY-LLVKDONJSA-N	-1	0	265.357	2.995	20	30		CFEDRM
C=CCn1c(C)nnc1SCc1ccsc1C(=O)[O-]	ZINC000825706174	601806771	/nfs/dbraw/zinc/80/67/71/601806771.db2.gz	ZRGQAUWWGCXFIC-UHFFFAOYSA-N	-1	0	295.389	2.825	20	30		CFEDRM
Cc1ccc(F)c(NN=Cc2c[nH]c(C(=O)[O-])c2)c1	ZINC000814872538	601850713	/nfs/dbraw/zinc/85/07/13/601850713.db2.gz	PNTUSWFOVZRFSB-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCCCOc1cccc(C#N)c1	ZINC000827385138	601974344	/nfs/dbraw/zinc/97/43/44/601974344.db2.gz	GUSYLGWJQPDVDU-NSHDSACASA-N	-1	0	279.361	2.924	20	30		CFEDRM
CN(CCC#N)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000830722640	602047560	/nfs/dbraw/zinc/04/75/60/602047560.db2.gz	GSDCVNMNJICJDK-LLVKDONJSA-N	-1	0	287.146	2.965	20	30		CFEDRM
C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)c1ccc2ccccc2n1	ZINC000827240528	602178577	/nfs/dbraw/zinc/17/85/77/602178577.db2.gz	LUMAGWJMQBMJDO-ZYHUDNBSSA-N	-1	0	282.299	2.522	20	30		CFEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825664845	602283580	/nfs/dbraw/zinc/28/35/80/602283580.db2.gz	NMGSLJVLPGQKEU-OAHLLOKOSA-N	-1	0	299.326	2.996	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC000776648073	602394959	/nfs/dbraw/zinc/39/49/59/602394959.db2.gz	YXTJAAHQDRLLIN-UHFFFAOYSA-N	-1	0	276.267	2.546	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823490651	602955287	/nfs/dbraw/zinc/95/52/87/602955287.db2.gz	IQEFIXQSEYKOIH-OUCADQQQSA-N	-1	0	290.363	2.712	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823480874	602965566	/nfs/dbraw/zinc/96/55/66/602965566.db2.gz	QRVPVXCYSQMMOX-CMPLNLGQSA-N	-1	0	296.754	2.500	20	30		CFEDRM
C[C@@H]1CN(c2c(Cl)cccc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000826075586	603192272	/nfs/dbraw/zinc/19/22/72/603192272.db2.gz	YZEAGPOJIPPPGV-SKDRFNHKSA-N	-1	0	293.754	2.694	20	30		CFEDRM
N#Cc1ccc(NC[C@@H](NC(=O)[O-])c2ccccc2)cc1	ZINC000831137261	603201829	/nfs/dbraw/zinc/20/18/29/603201829.db2.gz	UXNXOODPAYQKIS-OAHLLOKOSA-N	-1	0	281.315	2.979	20	30		CFEDRM
N#Cc1ccsc1C(=O)Oc1cccc(NC(=O)[O-])c1	ZINC000831156580	603485645	/nfs/dbraw/zinc/48/56/45/603485645.db2.gz	CZZDAIBUPNOXMP-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CC2)c1	ZINC000900355189	620663904	/nfs/dbraw/zinc/66/39/04/620663904.db2.gz	HKSACOACBAKDML-ZDUSSCGKSA-N	-1	0	274.320	2.704	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c1	ZINC000900356013	620663996	/nfs/dbraw/zinc/66/39/96/620663996.db2.gz	YMVWHRFXXNWVHB-CYBMUJFWSA-N	-1	0	276.336	2.950	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](CCCCC)C(=O)[O-])cc1	ZINC000900355441	620664117	/nfs/dbraw/zinc/66/41/17/620664117.db2.gz	MYIDKJLKQGCNDW-CQSZACIVSA-N	-1	0	288.347	2.823	20	30		CFEDRM
C=CCCCC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1	ZINC000823496474	603863625	/nfs/dbraw/zinc/86/36/25/603863625.db2.gz	JZZDPXOZHYWXLJ-AWEZNQCLSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=CCCCC(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000823496622	603889383	/nfs/dbraw/zinc/88/93/83/603889383.db2.gz	NGXABJWQRNJWKK-UHFFFAOYSA-N	-1	0	262.309	2.749	20	30		CFEDRM
Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1NC(=O)[O-]	ZINC000830205612	603959008	/nfs/dbraw/zinc/95/90/08/603959008.db2.gz	PNAJUZZBHGPXNI-RYUDHWBXSA-N	-1	0	287.319	2.507	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1	ZINC000825783269	603981517	/nfs/dbraw/zinc/98/15/17/603981517.db2.gz	FLXUVWKQFRTUFJ-UHFFFAOYSA-N	-1	0	273.292	2.655	20	30		CFEDRM
C=C(Cl)COC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823486063	604024321	/nfs/dbraw/zinc/02/43/21/604024321.db2.gz	NUUUJVFCANXXOL-PWSUYJOCSA-N	-1	0	297.738	2.927	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1	ZINC000823491524	604035654	/nfs/dbraw/zinc/03/56/54/604035654.db2.gz	WMLGPZDXQTYLEV-ZDUSSCGKSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000825280582	604053490	/nfs/dbraw/zinc/05/34/90/604053490.db2.gz	HRTRBHSBLOQKFI-WDEREUQCSA-N	-1	0	291.326	2.570	20	30		CFEDRM
CCC[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(C#N)cc1	ZINC000826757149	604161442	/nfs/dbraw/zinc/16/14/42/604161442.db2.gz	DFVNQWXRNXBKTI-GXFFZTMASA-N	-1	0	290.319	2.599	20	30		CFEDRM
C=CCc1ccccc1OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823521791	604216070	/nfs/dbraw/zinc/21/60/70/604216070.db2.gz	JDHDZVGQSDUQFN-QWHCGFSZSA-N	-1	0	289.331	2.757	20	30		CFEDRM
N#Cc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833075122	604375666	/nfs/dbraw/zinc/37/56/66/604375666.db2.gz	LWELUTMOIPNXBG-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000832849634	604452195	/nfs/dbraw/zinc/45/21/95/604452195.db2.gz	MSIAHAGXMQIFIX-UHFFFAOYSA-N	-1	0	298.273	2.956	20	30		CFEDRM
C=C[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825653166	604521294	/nfs/dbraw/zinc/52/12/94/604521294.db2.gz	DOXCHVUXSQJSHH-DGCLKSJQSA-N	-1	0	290.363	2.712	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1ccccc1C	ZINC000042343185	620674816	/nfs/dbraw/zinc/67/48/16/620674816.db2.gz	RWHKNMDULCTWOG-UHFFFAOYSA-N	-1	0	269.366	2.624	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000833537660	604572049	/nfs/dbraw/zinc/57/20/49/604572049.db2.gz	NIRLOSNTXVWXNR-ZDUSSCGKSA-N	-1	0	290.363	2.663	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)OCC	ZINC000833368727	604601496	/nfs/dbraw/zinc/60/14/96/604601496.db2.gz	RLXCKXBFMCGGIZ-CYBMUJFWSA-N	-1	0	278.304	2.662	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cccc(C(=O)[O-])c2C#N)c1	ZINC000833368055	604606490	/nfs/dbraw/zinc/60/64/90/604606490.db2.gz	DSRODIHRLRPJMB-UHFFFAOYSA-N	-1	0	290.322	2.874	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])OCC	ZINC000833367575	604620005	/nfs/dbraw/zinc/62/00/05/604620005.db2.gz	OFZNOVCALHIORN-GFCCVEGCSA-N	-1	0	295.310	2.834	20	30		CFEDRM
COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1O	ZINC000832281771	604627350	/nfs/dbraw/zinc/62/73/50/604627350.db2.gz	MPNCFTSECUQLQG-KRXBUXKQSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)ccc1C	ZINC000042344242	620677370	/nfs/dbraw/zinc/67/73/70/620677370.db2.gz	CYMHXKDHJBVYQW-UHFFFAOYSA-N	-1	0	269.366	2.738	20	30		CFEDRM
C#CCOc1cc(F)ccc1NCc1ccoc1C(=O)[O-]	ZINC000833366315	604774599	/nfs/dbraw/zinc/77/45/99/604774599.db2.gz	QVCFIWYASNJSFK-UHFFFAOYSA-N	-1	0	289.262	2.741	20	30		CFEDRM
C#Cc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1	ZINC000135824882	604780696	/nfs/dbraw/zinc/78/06/96/604780696.db2.gz	AFFPYGFRDOZOSW-UHFFFAOYSA-N	-1	0	279.295	2.547	20	30		CFEDRM
C[C@H](SCC#Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000827902700	604787515	/nfs/dbraw/zinc/78/75/15/604787515.db2.gz	PZPZXTGNTOSBFY-VIFPVBQESA-N	-1	0	254.738	2.898	20	30		CFEDRM
C[C@H](C#N)CNN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000825966637	604791671	/nfs/dbraw/zinc/79/16/71/604791671.db2.gz	ISJUSUKZXMQRSD-LLVKDONJSA-N	-1	0	297.314	2.728	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCC#Cc1ccc(F)cc1	ZINC000827384975	604799699	/nfs/dbraw/zinc/79/96/99/604799699.db2.gz	BLOPRNNMUSWVJC-JTQLQIEISA-N	-1	0	252.310	2.774	20	30		CFEDRM
C=C(C)CCOC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825642153	604885288	/nfs/dbraw/zinc/88/52/88/604885288.db2.gz	IUCPQDPDGPWOPI-UHFFFAOYSA-N	-1	0	252.241	2.647	20	30		CFEDRM
Cc1occc1CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833029482	604968710	/nfs/dbraw/zinc/96/87/10/604968710.db2.gz	CDSBGKMFRMGQMI-HNNXBMFYSA-N	-1	0	284.315	2.717	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833373530	604991515	/nfs/dbraw/zinc/99/15/15/604991515.db2.gz	RNRUDFJVQQWGBT-TUAOUCFPSA-N	-1	0	254.326	2.775	20	30		CFEDRM
C=CCOc1cccc(N[C@H](C(=O)[O-])c2cccnc2)c1	ZINC000825702263	604995758	/nfs/dbraw/zinc/99/57/58/604995758.db2.gz	GQGNLNYETRAKCR-HNNXBMFYSA-N	-1	0	284.315	2.884	20	30		CFEDRM
C#CCCCCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833362987	605014323	/nfs/dbraw/zinc/01/43/23/605014323.db2.gz	VGAOHGRMJHRGEI-KGLIPLIRSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccccc1F	ZINC000833406996	605039132	/nfs/dbraw/zinc/03/91/32/605039132.db2.gz	PYWUCCMBINEHRR-SNVBAGLBSA-N	-1	0	275.283	2.719	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccccc1F	ZINC000254799073	605098178	/nfs/dbraw/zinc/09/81/78/605098178.db2.gz	SJTMJHRFFZUMFL-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(O)cc1O	ZINC000254851137	605098209	/nfs/dbraw/zinc/09/82/09/605098209.db2.gz	MEDHVLZKWZIAFB-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
C#CCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1	ZINC000236811914	605108855	/nfs/dbraw/zinc/10/88/55/605108855.db2.gz	DSTXBJZODBPVKH-UHFFFAOYSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C#CCCCOc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000311265126	605149038	/nfs/dbraw/zinc/14/90/38/605149038.db2.gz	BBIHVOUFLUFZSQ-CLFYSBASSA-N	-1	0	260.289	2.585	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833606643	605164061	/nfs/dbraw/zinc/16/40/61/605164061.db2.gz	SQDIDFRXDNMRRB-MNOVXSKESA-N	-1	0	287.315	2.736	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000398191532	605176519	/nfs/dbraw/zinc/17/65/19/605176519.db2.gz	ATDSUROWSVZCKU-JTQLQIEISA-N	-1	0	277.324	2.646	20	30		CFEDRM
Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccc1NC(=O)[O-]	ZINC000829940411	605326885	/nfs/dbraw/zinc/32/68/85/605326885.db2.gz	MQZZZPSDOUHPDG-AAEUAGOBSA-N	-1	0	287.319	2.507	20	30		CFEDRM
N#Cc1ccc(NCC2(NC(=O)[O-])CCC2)cc1Cl	ZINC000833974538	605362024	/nfs/dbraw/zinc/36/20/24/605362024.db2.gz	JKKLNJZANKYVDQ-UHFFFAOYSA-N	-1	0	279.727	2.814	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000833550516	605419527	/nfs/dbraw/zinc/41/95/27/605419527.db2.gz	ARQZGYVRTNKVGZ-OAHLLOKOSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=C(C)CN(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000833368777	605445460	/nfs/dbraw/zinc/44/54/60/605445460.db2.gz	UOXKBSRYTAENNG-UHFFFAOYSA-N	-1	0	291.351	2.537	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(c2cc(Cl)ccc2C#N)C1	ZINC000833814356	605492745	/nfs/dbraw/zinc/49/27/45/605492745.db2.gz	AYGUSDMETBXCJM-ONGXEEELSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1	ZINC000833815183	605497730	/nfs/dbraw/zinc/49/77/30/605497730.db2.gz	FIULCBBSIVHSRX-NXEZZACHSA-N	-1	0	293.754	2.694	20	30		CFEDRM
O=C([O-])Nc1cccc(CON=C2CCCOCC2)c1	ZINC000834269930	605504385	/nfs/dbraw/zinc/50/43/85/605504385.db2.gz	XHNVBXFHLSKLFH-UHFFFAOYSA-N	-1	0	278.308	2.850	20	30		CFEDRM
C=CCCCC(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000833373406	605512787	/nfs/dbraw/zinc/51/27/87/605512787.db2.gz	NNGGLCUDFXHWIG-CYBMUJFWSA-N	-1	0	280.295	2.721	20	30		CFEDRM
C=CCCOC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823496278	605557591	/nfs/dbraw/zinc/55/75/91/605557591.db2.gz	HCRXQGFRSQXMRF-GFCCVEGCSA-N	-1	0	263.293	2.505	20	30		CFEDRM
C#CCCCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000833361678	605595622	/nfs/dbraw/zinc/59/56/22/605595622.db2.gz	HCZRNMODYKYJEK-UHFFFAOYSA-N	-1	0	287.359	2.927	20	30		CFEDRM
C#CCCCCCC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000833361767	605619239	/nfs/dbraw/zinc/61/92/39/605619239.db2.gz	KLLFQHJIPDYQNA-UHFFFAOYSA-N	-1	0	279.380	2.864	20	30		CFEDRM
C#CCCCCCC(=O)OCc1occc1C(=O)[O-]	ZINC000833361595	605672667	/nfs/dbraw/zinc/67/26/67/605672667.db2.gz	CKKBCBIUBHBTLL-UHFFFAOYSA-N	-1	0	264.277	2.605	20	30		CFEDRM
Cc1cc(C(=O)Nc2ccc(C#N)cn2)ccc1NC(=O)[O-]	ZINC000829962239	605675498	/nfs/dbraw/zinc/67/54/98/605675498.db2.gz	YDRYLRMILGICCO-UHFFFAOYSA-N	-1	0	296.286	2.604	20	30		CFEDRM
O=C([O-])N[C@H]1CC(=NO[C@H]2CCCCO2)c2ccccc21	ZINC000834159140	605746347	/nfs/dbraw/zinc/74/63/47/605746347.db2.gz	XRNLDYJDGXADRF-JSGCOSHPSA-N	-1	0	290.319	2.646	20	30		CFEDRM
Cc1cc(C(=O)OCCCC#N)ccc1NC(=O)[O-]	ZINC000829975425	605828038	/nfs/dbraw/zinc/82/80/38/605828038.db2.gz	CYZVNRVQAJYXTH-UHFFFAOYSA-N	-1	0	262.265	2.546	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1nc2ccccc2s1	ZINC000834171386	605858008	/nfs/dbraw/zinc/85/80/08/605858008.db2.gz	YNTVXAIATLKUOC-QMMMGPOBSA-N	-1	0	290.348	2.884	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NO[C@@H]3CCCCO3)c21	ZINC000834121590	606055198	/nfs/dbraw/zinc/05/51/98/606055198.db2.gz	BCDKDEUUEWYAHS-CYBMUJFWSA-N	-1	0	290.319	2.604	20	30		CFEDRM
CC[C@@H](CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000900974642	620735734	/nfs/dbraw/zinc/73/57/34/620735734.db2.gz	PFXFXFVAXIYEEL-QMMMGPOBSA-N	-1	0	252.701	2.734	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000049416853	617603628	/nfs/dbraw/zinc/60/36/28/617603628.db2.gz	MLGKROYSQIIKCE-GFCCVEGCSA-N	-1	0	297.376	2.621	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	ZINC000049417695	617604094	/nfs/dbraw/zinc/60/40/94/617604094.db2.gz	JIDVOGDFSXDGQT-VXGBXAGGSA-N	-1	0	285.340	2.624	20	30		CFEDRM
CC(C)c1cccc(OCC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049417514	617604242	/nfs/dbraw/zinc/60/42/42/617604242.db2.gz	ZWUYEOGJKKBDKS-UHFFFAOYSA-N	-1	0	299.392	2.884	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000049515002	617607969	/nfs/dbraw/zinc/60/79/69/617607969.db2.gz	VMNNKXDTAMOVSC-UHFFFAOYSA-N	-1	0	290.772	2.567	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000049515043	617608027	/nfs/dbraw/zinc/60/80/27/617608027.db2.gz	MXJCGMKGYPZGJM-MRVPVSSYSA-N	-1	0	290.772	2.567	20	30		CFEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1	ZINC000049514136	617608103	/nfs/dbraw/zinc/60/81/03/617608103.db2.gz	GNKBNADTLKEVEL-UHFFFAOYSA-N	-1	0	281.377	2.901	20	30		CFEDRM
Cc1cc(C#N)nc(NC[C@H](CC(=O)[O-])CC(C)C)c1	ZINC000900965259	620738237	/nfs/dbraw/zinc/73/82/37/620738237.db2.gz	MIVZNGRIDMDTNP-LBPRGKRZSA-N	-1	0	275.352	2.811	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000811671130	617713033	/nfs/dbraw/zinc/71/30/33/617713033.db2.gz	AHVMEQRQEYSAHP-VHDODGMTSA-N	-1	0	270.672	2.794	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccc(CC(=O)[O-])c(C#N)c2)cn1	ZINC000901070339	620746824	/nfs/dbraw/zinc/74/68/24/620746824.db2.gz	OMODNNFFQSEMQD-UHFFFAOYSA-N	-1	0	283.331	2.804	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)[C@H]1CC=CCC1	ZINC000086055977	617733063	/nfs/dbraw/zinc/73/30/63/617733063.db2.gz	ADVQATNYKPYUTQ-JTQLQIEISA-N	-1	0	257.355	2.572	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000890651522	617737159	/nfs/dbraw/zinc/73/71/59/617737159.db2.gz	QVDBTNXDBAWNQQ-JTQLQIEISA-N	-1	0	263.724	2.674	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)s1	ZINC000121565191	617750064	/nfs/dbraw/zinc/75/00/64/617750064.db2.gz	WWJUIUWPUUDRLN-JTQLQIEISA-N	-1	0	290.388	2.647	20	30		CFEDRM
Cn1ncc(C(=O)[O-])c1-c1ccc(C2CC2)c(C#N)c1	ZINC000901079341	620750469	/nfs/dbraw/zinc/75/04/69/620750469.db2.gz	IRAWCXVRZKIPSW-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
Cc1cc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)sn1	ZINC000901101829	620754738	/nfs/dbraw/zinc/75/47/38/620754738.db2.gz	PHXILWRIENSEDR-UHFFFAOYSA-N	-1	0	299.355	2.511	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cnn(CC2CCC2)c1	ZINC000901157852	620755217	/nfs/dbraw/zinc/75/52/17/620755217.db2.gz	CCUNONJPWXFVBC-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
CCC(CC)NN=Cc1cc(C(=O)[O-])ccc1OC	ZINC000901195727	620763051	/nfs/dbraw/zinc/76/30/51/620763051.db2.gz	HPMXFLVYZUKOBQ-UHFFFAOYSA-N	-1	0	264.325	2.506	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2=Cc3ccccc3OC2)c1	ZINC000121063234	617980938	/nfs/dbraw/zinc/98/09/38/617980938.db2.gz	IDBLESVWBKBFKK-UHFFFAOYSA-N	-1	0	292.294	2.678	20	30		CFEDRM
CSCCON=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901236367	620769585	/nfs/dbraw/zinc/76/95/85/620769585.db2.gz	QIGXJNLBZOZSSP-UHFFFAOYSA-N	-1	0	279.770	2.813	20	30		CFEDRM
CC(C)c1ccc(NN=Cc2cc(C(=O)[O-])nn2C)cc1	ZINC000901248602	620771537	/nfs/dbraw/zinc/77/15/37/620771537.db2.gz	CTLIGMNXBOGDHU-UHFFFAOYSA-N	-1	0	286.335	2.688	20	30		CFEDRM
Cc1ccc(F)c(O)c1C=NN[C@@H](C)C(F)(F)F	ZINC000901249656	620771675	/nfs/dbraw/zinc/77/16/75/620771675.db2.gz	FKQXMBHMBRVSSA-ZETCQYMHSA-N	-1	0	264.222	2.714	20	30		CFEDRM
CC1(C)OCC[C@@H]1NN=Cc1cc(O)cc(Cl)c1	ZINC000901249257	620771769	/nfs/dbraw/zinc/77/17/69/620771769.db2.gz	WBEPGTYQTQRHES-LBPRGKRZSA-N	-1	0	268.744	2.537	20	30		CFEDRM
Cc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1C(=O)[O-]	ZINC000901222673	620773563	/nfs/dbraw/zinc/77/35/63/620773563.db2.gz	PJGINEFZEJCYNA-CYBMUJFWSA-N	-1	0	290.363	2.574	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909321762	618107412	/nfs/dbraw/zinc/10/74/12/618107412.db2.gz	RRGBUKRSNVPXFS-OAHLLOKOSA-N	-1	0	295.310	2.691	20	30		CFEDRM
CC(=NNC1C[C@@H](C)O[C@H](C)C1)c1csc(C(=O)[O-])c1	ZINC000901301691	620779513	/nfs/dbraw/zinc/77/95/13/620779513.db2.gz	GGKNJFKZVJNEHJ-RKDXNWHRSA-N	-1	0	296.392	2.716	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nc1	ZINC000160737307	618148791	/nfs/dbraw/zinc/14/87/91/618148791.db2.gz	IUPPAZUTJVBACG-UHFFFAOYSA-N	-1	0	296.311	2.635	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2=COCCC2)c1	ZINC000077209028	618155699	/nfs/dbraw/zinc/15/56/99/618155699.db2.gz	RBFWXQCLIUUSLU-UHFFFAOYSA-N	-1	0	295.360	2.643	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCCS2)c1	ZINC000255336411	618203579	/nfs/dbraw/zinc/20/35/79/618203579.db2.gz	BHZQBGJDVUOZBW-HKMIMPICSA-N	-1	0	266.322	2.615	20	30		CFEDRM
COc1cccc(CCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176813542	618204528	/nfs/dbraw/zinc/20/45/28/618204528.db2.gz	OBSYZQYEMNOVSP-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)o1	ZINC000176815028	618204846	/nfs/dbraw/zinc/20/48/46/618204846.db2.gz	LIFLTSSPRHVNQC-UHFFFAOYSA-N	-1	0	256.261	2.726	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnc(Cl)c2)c1	ZINC000176816600	618205328	/nfs/dbraw/zinc/20/53/28/618205328.db2.gz	IUMHDHLTIXCNGN-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
COCc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176824465	618207283	/nfs/dbraw/zinc/20/72/83/618207283.db2.gz	YCUNMGXMSONLAS-UHFFFAOYSA-N	-1	0	282.299	2.663	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881959	618211941	/nfs/dbraw/zinc/21/19/41/618211941.db2.gz	BASRRWNARCIRHC-NSHDSACASA-N	-1	0	293.344	2.984	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)s1)C(=O)[O-]	ZINC000309670021	618230979	/nfs/dbraw/zinc/23/09/79/618230979.db2.gz	JKEUCYKGXFFVJE-SSDOTTSWSA-N	-1	0	260.746	2.578	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1	ZINC000255671437	618258369	/nfs/dbraw/zinc/25/83/69/618258369.db2.gz	WIQFVYWLVCQSNC-DAXSKMNVSA-N	-1	0	286.283	2.948	20	30		CFEDRM
CCCCCCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000141508803	618272499	/nfs/dbraw/zinc/27/24/99/618272499.db2.gz	ALALTCYNZLPBLF-UHFFFAOYSA-N	-1	0	287.363	2.623	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCC(C)(C)C1	ZINC000179414968	618273626	/nfs/dbraw/zinc/27/36/26/618273626.db2.gz	QYRYDWROFLBYOV-RYUDHWBXSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C[C@@H](C#N)CN(Cc1cc(F)cc(F)c1[O-])C1CC1	ZINC000894085203	618307136	/nfs/dbraw/zinc/30/71/36/618307136.db2.gz	QCEJQYVZPDLUMA-VIFPVBQESA-N	-1	0	266.291	2.794	20	30		CFEDRM
CC1(C)CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000189354158	618334433	/nfs/dbraw/zinc/33/44/33/618334433.db2.gz	LZPXDPNPNHDGBS-AZZDOICSSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C#CCCCC(=O)N(CCCC(=O)[O-])Cc1ccccc1	ZINC000909475304	618396658	/nfs/dbraw/zinc/39/66/58/618396658.db2.gz	MHFRNFBNFVLMEC-UHFFFAOYSA-N	-1	0	287.359	2.684	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000909479473	618404145	/nfs/dbraw/zinc/40/41/45/618404145.db2.gz	RZJYWWQREGVHFU-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000856034231	618425084	/nfs/dbraw/zinc/42/50/84/618425084.db2.gz	CMBXWAQAJQWSIS-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000046927940	618458379	/nfs/dbraw/zinc/45/83/79/618458379.db2.gz	QYYFRTNLJIQMFC-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909507294	618487509	/nfs/dbraw/zinc/48/75/09/618487509.db2.gz	OOCUHCOINQOGRZ-JTQLQIEISA-N	-1	0	294.376	2.521	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000909516216	618537625	/nfs/dbraw/zinc/53/76/25/618537625.db2.gz	SFNNHQUGQJAXEI-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000901451346	620817451	/nfs/dbraw/zinc/81/74/51/620817451.db2.gz	SFHVREFHAXLHSE-NILFDRSVSA-N	-1	0	257.333	2.969	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000034486618	618699441	/nfs/dbraw/zinc/69/94/41/618699441.db2.gz	ITKKOEOBEQVISR-UHFFFAOYSA-N	-1	0	253.323	2.606	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000909360552	619002680	/nfs/dbraw/zinc/00/26/80/619002680.db2.gz	UVJUIYZASRZEGQ-CYBMUJFWSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000909368026	619010033	/nfs/dbraw/zinc/01/00/33/619010033.db2.gz	PUSQESQKSYANNB-UHFFFAOYSA-N	-1	0	297.738	2.954	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NC(CC)(CC)CC(=O)[O-])OCC	ZINC000909375327	619024719	/nfs/dbraw/zinc/02/47/19/619024719.db2.gz	MAXQMGXHHOUEQD-GFCCVEGCSA-N	-1	0	285.384	2.507	20	30		CFEDRM
N#Cc1csc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000748074468	619331334	/nfs/dbraw/zinc/33/13/34/619331334.db2.gz	KNKLIEARBMXWJA-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCOCC(C)C)cc1	ZINC000048422823	619335709	/nfs/dbraw/zinc/33/57/09/619335709.db2.gz	ATZHVIJNOKDSIM-UHFFFAOYSA-N	-1	0	299.392	2.703	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1Cl	ZINC000048480901	619342826	/nfs/dbraw/zinc/34/28/26/619342826.db2.gz	VFAAXYVTMOXKTQ-UHFFFAOYSA-N	-1	0	296.175	2.842	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CC(C)C)c1	ZINC000048505714	619346442	/nfs/dbraw/zinc/34/64/42/619346442.db2.gz	MGOFVGFHWGRKGC-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccccc1OCC	ZINC000048518506	619348432	/nfs/dbraw/zinc/34/84/32/619348432.db2.gz	GBFCPQGIIIHVAW-UHFFFAOYSA-N	-1	0	285.365	2.520	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](C)OCc1ccccc1	ZINC000048518639	619348469	/nfs/dbraw/zinc/34/84/69/619348469.db2.gz	AOQCVAPULMOUOL-LBPRGKRZSA-N	-1	0	299.392	2.678	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518303	619348494	/nfs/dbraw/zinc/34/84/94/619348494.db2.gz	QLOMYTVVPCWKRU-MDZDMXLPSA-N	-1	0	267.350	2.990	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519108	619349328	/nfs/dbraw/zinc/34/93/28/619349328.db2.gz	LLSFGTDGKZCERB-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519163	619349569	/nfs/dbraw/zinc/34/95/69/619349569.db2.gz	XZTQSBSRTBZOED-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000048518997	619349608	/nfs/dbraw/zinc/34/96/08/619349608.db2.gz	GPHQWDUBKSSXPC-UHFFFAOYSA-N	-1	0	285.365	2.921	20	30		CFEDRM
CCSCC(=NN[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000793070735	619506678	/nfs/dbraw/zinc/50/66/78/619506678.db2.gz	ABAIFONLYMGZNL-GFCCVEGCSA-N	-1	0	280.393	2.597	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc2ccccc12)C(=O)[O-]	ZINC000793070904	619506885	/nfs/dbraw/zinc/50/68/85/619506885.db2.gz	AQKBAYYHPOPVDB-CQSZACIVSA-N	-1	0	256.305	2.627	20	30		CFEDRM
CC1(C)C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000840708651	619881993	/nfs/dbraw/zinc/88/19/93/619881993.db2.gz	CRHFPKLNVVVVCM-HPUUJOOBSA-N	-1	0	292.335	2.925	20	30		CFEDRM
CO[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C12CCC2	ZINC000840709084	619885720	/nfs/dbraw/zinc/88/57/20/619885720.db2.gz	AWMGMAMAZKIQRM-LFVFQHRSSA-N	-1	0	290.319	2.677	20	30		CFEDRM
COC1CCC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000840709136	619885748	/nfs/dbraw/zinc/88/57/48/619885748.db2.gz	BCZIMOXMJDZXMO-OQLLNIDSSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CCC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])COC1	ZINC000840709831	619898250	/nfs/dbraw/zinc/89/82/50/619898250.db2.gz	ODZSIQUEANCTPT-PJQLUOCWSA-N	-1	0	298.726	2.799	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000797256367	619987688	/nfs/dbraw/zinc/98/76/88/619987688.db2.gz	NMXQOYHCEOVCCE-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-]	ZINC000262889881	620084542	/nfs/dbraw/zinc/08/45/42/620084542.db2.gz	LIWIOCYNBSVAIN-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-]	ZINC000262935798	620090532	/nfs/dbraw/zinc/09/05/32/620090532.db2.gz	PKCZVVJXYSVRPO-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)N[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034148	620192189	/nfs/dbraw/zinc/19/21/89/620192189.db2.gz	MMJHDHZAGRMDAA-ZYHUDNBSSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)CCCC)C(=O)[O-]	ZINC000864185865	620205507	/nfs/dbraw/zinc/20/55/07/620205507.db2.gz	DUMGIYVMAPLZSQ-WCBMZHEXSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000864185897	620205557	/nfs/dbraw/zinc/20/55/57/620205557.db2.gz	FKBYAFAGRIJDMQ-MWLCHTKSSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NCc1ccc(CC)o1)C(=O)[O-]	ZINC000864518647	620226029	/nfs/dbraw/zinc/22/60/29/620226029.db2.gz	PSQHGUWJLXCNHG-NSHDSACASA-N	-1	0	257.717	2.527	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNC2CCCCC2)c1	ZINC000786040586	620240017	/nfs/dbraw/zinc/24/00/17/620240017.db2.gz	PFMKZLILGHRLFB-UHFFFAOYSA-N	-1	0	263.297	2.557	20	30		CFEDRM
C=CCC1(C(=O)[N-]Oc2ccc(F)cc2)CCOCC1	ZINC000898574639	620478806	/nfs/dbraw/zinc/47/88/06/620478806.db2.gz	FJRJWBLMVHTYSJ-UHFFFAOYSA-N	-1	0	279.311	2.609	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCCC(=O)[O-])c1ccccc1	ZINC000898836126	620495653	/nfs/dbraw/zinc/49/56/53/620495653.db2.gz	SCVYQEAZYWWCIO-AWEZNQCLSA-N	-1	0	290.363	2.858	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O	ZINC000899349557	620549912	/nfs/dbraw/zinc/54/99/12/620549912.db2.gz	GBYIZVGNRHCYSX-GFCCVEGCSA-N	-1	0	278.258	2.650	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)ccc2F)c(=O)c1CCC#N	ZINC000899362087	620553262	/nfs/dbraw/zinc/55/32/62/620553262.db2.gz	JVNDUQWBBKSWIC-SNVBAGLBSA-N	-1	0	263.247	2.607	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cccs1	ZINC000042243720	620581295	/nfs/dbraw/zinc/58/12/95/620581295.db2.gz	WZCVECOUQRIHER-AATRIKPKSA-N	-1	0	283.330	2.700	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CC=CCC1	ZINC000042248570	620585044	/nfs/dbraw/zinc/58/50/44/620585044.db2.gz	VVINGSRSSNYNQQ-SNVBAGLBSA-N	-1	0	283.324	2.827	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899767434	620598463	/nfs/dbraw/zinc/59/84/63/620598463.db2.gz	RFWONFJRTAWGTR-MLGOLLRUSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899788669	620599675	/nfs/dbraw/zinc/59/96/75/620599675.db2.gz	HRMXGFDCKQZFBP-AWEZNQCLSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899794770	620600697	/nfs/dbraw/zinc/60/06/97/620600697.db2.gz	OHDCENAPQDNZHH-HNNXBMFYSA-N	-1	0	287.359	2.754	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899814152	620602031	/nfs/dbraw/zinc/60/20/31/620602031.db2.gz	NAGDAPDXSGFKBD-OCCSQVGLSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC[C@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899814151	620602144	/nfs/dbraw/zinc/60/21/44/620602144.db2.gz	NAGDAPDXSGFKBD-JSGCOSHPSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC1CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)CC1	ZINC000899816803	620604145	/nfs/dbraw/zinc/60/41/45/620604145.db2.gz	IJUXGIOVZRMJBN-ZDUSSCGKSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000899854977	620606644	/nfs/dbraw/zinc/60/66/44/620606644.db2.gz	QXIUKXIRUBRFFR-AWEZNQCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000899854030	620606744	/nfs/dbraw/zinc/60/67/44/620606744.db2.gz	FJBQMGRCDCFUGF-CQSZACIVSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000899854978	620606809	/nfs/dbraw/zinc/60/68/09/620606809.db2.gz	QXIUKXIRUBRFFR-CQSZACIVSA-N	-1	0	255.358	2.594	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000042307136	620629277	/nfs/dbraw/zinc/62/92/77/620629277.db2.gz	BIXHJDBCCAKITI-UHFFFAOYSA-N	-1	0	294.376	2.925	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000901501241	620837682	/nfs/dbraw/zinc/83/76/82/620837682.db2.gz	DXSDOISOGJRABR-AGIUHOORSA-N	-1	0	279.380	2.833	20	30		CFEDRM
Cc1noc(C)c1/C=C1/CCc2occ(C(=O)[O-])c2C1=O	ZINC000901518150	620854119	/nfs/dbraw/zinc/85/41/19/620854119.db2.gz	VMWHGXBNSBTCPK-UITAMQMPSA-N	-1	0	287.271	2.795	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1c([O-])cccc1F	ZINC000901560451	620857527	/nfs/dbraw/zinc/85/75/27/620857527.db2.gz	DUPYFOGVEIEDGO-FPLPWBNLSA-N	-1	0	286.306	2.960	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000902030080	620954673	/nfs/dbraw/zinc/95/46/73/620954673.db2.gz	OCVGBSHGSJLVDV-SDDRHHMPSA-N	-1	0	294.395	2.568	20	30		CFEDRM
C=CCC1(NC(=O)Cc2ccccc2C(=O)[O-])CCCC1	ZINC000902072298	620968071	/nfs/dbraw/zinc/96/80/71/620968071.db2.gz	MYNYCGCWUHJCLY-UHFFFAOYSA-N	-1	0	287.359	2.932	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902088183	620975752	/nfs/dbraw/zinc/97/57/52/620975752.db2.gz	GVDYXECRAXCCJD-SREVYHEPSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000902698606	621149526	/nfs/dbraw/zinc/14/95/26/621149526.db2.gz	PARUOPXCHWVVKU-JSGCOSHPSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C#N)c1	ZINC000902729366	621159690	/nfs/dbraw/zinc/15/96/90/621159690.db2.gz	IIBWJUDTWZVQNE-YVEFUNNKSA-N	-1	0	298.342	2.547	20	30		CFEDRM
CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(CCC#N)cc1	ZINC000902840260	621189301	/nfs/dbraw/zinc/18/93/01/621189301.db2.gz	ZPISBVMZLTUEMW-UHFFFAOYSA-N	-1	0	288.347	2.972	20	30		CFEDRM
Cc1sc([N-]S(=O)(=O)CCCCF)c(C#N)c1C	ZINC000903168757	621279322	/nfs/dbraw/zinc/27/93/22/621279322.db2.gz	OUAMFIXNPUDHQB-UHFFFAOYSA-N	-1	0	290.385	2.728	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(C#N)c1	ZINC000903409121	621364167	/nfs/dbraw/zinc/36/41/67/621364167.db2.gz	WCOSBYYVMGHMLO-MFKMUULPSA-N	-1	0	292.766	2.897	20	30		CFEDRM
C[C@H](CC(=O)N(O)Cc1ccccc1Cl)n1ccnc1	ZINC000904192972	621546933	/nfs/dbraw/zinc/54/69/33/621546933.db2.gz	GYTMJWHQUCMXOD-LLVKDONJSA-N	-1	0	293.754	2.906	20	30		CFEDRM
CCCc1c(N[C@@H](C)C(=O)[O-])cnn1-c1cccc(C#N)c1	ZINC000904233322	621557162	/nfs/dbraw/zinc/55/71/62/621557162.db2.gz	QKUAYMYWTWJXCA-NSHDSACASA-N	-1	0	298.346	2.581	20	30		CFEDRM
N#CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000905003919	621680218	/nfs/dbraw/zinc/68/02/18/621680218.db2.gz	YGGDIIKJDSMWOH-GJRQGDOSSA-N	-1	0	287.197	2.564	20	30		CFEDRM
N#CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000905003920	621680685	/nfs/dbraw/zinc/68/06/85/621680685.db2.gz	YGGDIIKJDSMWOH-JIURPICXSA-N	-1	0	287.197	2.564	20	30		CFEDRM
N#CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000905003922	621680706	/nfs/dbraw/zinc/68/07/06/621680706.db2.gz	YGGDIIKJDSMWOH-WTSVEOLSSA-N	-1	0	287.197	2.564	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@H](CCCC=C)C(=O)[O-])c1	ZINC000905051224	621686241	/nfs/dbraw/zinc/68/62/41/621686241.db2.gz	VHLHLRDXPFUOSP-CQSZACIVSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C=C(Cl)CN[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000905394169	621766160	/nfs/dbraw/zinc/76/61/60/621766160.db2.gz	GOBQHYUHOQLYLQ-LBPRGKRZSA-N	-1	0	253.729	2.771	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NOCCC1CC1	ZINC000905473314	621773550	/nfs/dbraw/zinc/77/35/50/621773550.db2.gz	IPENIPJCFJWKBK-UHFFFAOYSA-N	-1	0	268.700	2.584	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NOC1CCCC1	ZINC000905458121	621777075	/nfs/dbraw/zinc/77/70/75/621777075.db2.gz	BOBSFYQIRGDMQX-UHFFFAOYSA-N	-1	0	268.700	2.726	20	30		CFEDRM
CC(=NNCC(F)(F)F)c1ccc(C(=O)[O-])cc1C	ZINC000905460633	621778114	/nfs/dbraw/zinc/77/81/14/621778114.db2.gz	PTDFAVULESOFHI-UHFFFAOYSA-N	-1	0	274.242	2.569	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905464726	621779939	/nfs/dbraw/zinc/77/99/39/621779939.db2.gz	SEZBIXLBKVRDRJ-LLVKDONJSA-N	-1	0	295.770	2.935	20	30		CFEDRM
CSCCON=C(C)c1ccc(C(=O)[O-])cc1C	ZINC000905468702	621780663	/nfs/dbraw/zinc/78/06/63/621780663.db2.gz	WSSIPFCMJACJII-UHFFFAOYSA-N	-1	0	267.350	2.797	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000907575988	622137792	/nfs/dbraw/zinc/13/77/92/622137792.db2.gz	WSSZANVMDQAZPZ-SJCJKPOMSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000907608066	622138947	/nfs/dbraw/zinc/13/89/47/622138947.db2.gz	CXJPZLYKQVLWBT-YGRLFVJLSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)oc1C	ZINC000907633060	622144888	/nfs/dbraw/zinc/14/48/88/622144888.db2.gz	ILTRYDOTEDXPAL-UHFFFAOYSA-N	-1	0	279.336	2.598	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000907642279	622146014	/nfs/dbraw/zinc/14/60/14/622146014.db2.gz	CPPNRCOAWIQFTG-SKDRFNHKSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000907642274	622146051	/nfs/dbraw/zinc/14/60/51/622146051.db2.gz	CPPNRCOAWIQFTG-BXKDBHETSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000907614799	622146388	/nfs/dbraw/zinc/14/63/88/622146388.db2.gz	AIXFQWSEBWEQDI-IUODEOHRSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000907691115	622152887	/nfs/dbraw/zinc/15/28/87/622152887.db2.gz	XIWXVWWPVKJSLY-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000907732379	622157702	/nfs/dbraw/zinc/15/77/02/622157702.db2.gz	QIJPDANPCNNRJH-OCCSQVGLSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCCCN(CC)C(=O)Cc1cccc(C(=O)[O-])c1	ZINC000908220550	622202852	/nfs/dbraw/zinc/20/28/52/622202852.db2.gz	JDCSWJGOCUILPL-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908228373	622206051	/nfs/dbraw/zinc/20/60/51/622206051.db2.gz	DJTYFFBWSNZBDD-CQSZACIVSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=C1CC(C)(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)C1	ZINC000908238964	622207176	/nfs/dbraw/zinc/20/71/76/622207176.db2.gz	ZPNGKUKFDJNTMT-AWEZNQCLSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908289438	622213215	/nfs/dbraw/zinc/21/32/15/622213215.db2.gz	RLRNJLVLKGDDCC-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908292786	622215122	/nfs/dbraw/zinc/21/51/22/622215122.db2.gz	QRXXRXYPKBSPMK-OCCSQVGLSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1nc(CCC)cs1)C(=O)[O-]	ZINC000908682567	622259598	/nfs/dbraw/zinc/25/95/98/622259598.db2.gz	BLOFSBRGJHWLGP-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909030935	622298240	/nfs/dbraw/zinc/29/82/40/622298240.db2.gz	QKCQAINFCAWEMC-CQSZACIVSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000909165970	622324436	/nfs/dbraw/zinc/32/44/36/622324436.db2.gz	OBTSNODUDMYPQM-UHFFFAOYSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CC[C@@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000909273821	622331670	/nfs/dbraw/zinc/33/16/70/622331670.db2.gz	TZSUMEOJXXNSPZ-CQSZACIVSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909295135	622336057	/nfs/dbraw/zinc/33/60/57/622336057.db2.gz	PSANZBNCTHPIER-JSGCOSHPSA-N	-1	0	289.331	2.613	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC=C)c1ccccc1)C(=O)[O-]	ZINC000909711497	622343710	/nfs/dbraw/zinc/34/37/10/622343710.db2.gz	CBWSFJZMPBNNQT-CABCVRRESA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1	ZINC000909739794	622349471	/nfs/dbraw/zinc/34/94/71/622349471.db2.gz	IDZFXBMQURIYFJ-CABCVRRESA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000909853594	622358031	/nfs/dbraw/zinc/35/80/31/622358031.db2.gz	GVDVPRDOVDETJE-NSHDSACASA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000909868661	622362358	/nfs/dbraw/zinc/36/23/58/622362358.db2.gz	VDUDIJAPOPJQCF-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000909956319	622376309	/nfs/dbraw/zinc/37/63/09/622376309.db2.gz	VCDCHDBYQNSTBT-XHDPSFHLSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C1CC(C)(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1	ZINC000910040243	622395292	/nfs/dbraw/zinc/39/52/92/622395292.db2.gz	RBWUEELANPDHRL-UHFFFAOYSA-N	-1	0	271.316	2.583	20	30		CFEDRM
C=CCCC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-]	ZINC000910105014	622405730	/nfs/dbraw/zinc/40/57/30/622405730.db2.gz	CDLQVOBPUCCOQM-KRWDZBQOSA-N	-1	0	287.359	2.641	20	30		CFEDRM
C=C1CCC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1	ZINC000910164284	622407745	/nfs/dbraw/zinc/40/77/45/622407745.db2.gz	SYQFRLMEMUVURY-RHSMWYFYSA-N	-1	0	291.391	2.836	20	30		CFEDRM
C#CCC1(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)CCCCC1	ZINC000910259568	622416026	/nfs/dbraw/zinc/41/60/26/622416026.db2.gz	CQTSXWZHCIBYHS-CZUORRHYSA-N	-1	0	291.391	2.529	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C(=O)[O-]	ZINC000910268497	622421148	/nfs/dbraw/zinc/42/11/48/622421148.db2.gz	YRHBTDLMABBEHW-ZJUUUORDSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000910266566	622421150	/nfs/dbraw/zinc/42/11/50/622421150.db2.gz	MXXRBXOAAJYJOA-NSHDSACASA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910291389	622430023	/nfs/dbraw/zinc/43/00/23/622430023.db2.gz	HUPQEDIHSIODFK-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910291388	622430188	/nfs/dbraw/zinc/43/01/88/622430188.db2.gz	HUPQEDIHSIODFK-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(NC)ccc1Cl)C(=O)[O-]	ZINC000910293736	622430539	/nfs/dbraw/zinc/43/05/39/622430539.db2.gz	LNEHFVGZMZBNPL-GFCCVEGCSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C#CCC1(C(=O)Nc2ccc(C(=O)[O-])nc2)CCCCC1	ZINC000910339080	622432894	/nfs/dbraw/zinc/43/28/94/622432894.db2.gz	UASSEMSRTUIWAU-UHFFFAOYSA-N	-1	0	286.331	2.692	20	30		CFEDRM
N#Cc1nc(NC[C@H](CC2CC2)C(=O)[O-])ccc1Cl	ZINC000910418593	622441788	/nfs/dbraw/zinc/44/17/88/622441788.db2.gz	FYGJZVZNSGKEHL-VIFPVBQESA-N	-1	0	279.727	2.519	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)OCC	ZINC000910560715	622457731	/nfs/dbraw/zinc/45/77/31/622457731.db2.gz	UCNGCVHJEIDHLA-KBPBESRZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C1CCC(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1	ZINC000910649099	622464268	/nfs/dbraw/zinc/46/42/68/622464268.db2.gz	RCHJHKXKFGUCGS-UHFFFAOYSA-N	-1	0	294.376	2.845	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)cc1OC)C(=O)[O-]	ZINC000910916063	622486570	/nfs/dbraw/zinc/48/65/70/622486570.db2.gz	SQZITNGKBPVOPG-ZDUSSCGKSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@]1(C)CC=CCC1)C(=O)[O-]	ZINC000910917145	622486576	/nfs/dbraw/zinc/48/65/76/622486576.db2.gz	MLXLJVTXIBKEFE-IUODEOHRSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C1/CC[C@@H](C)C1)C(=O)[O-]	ZINC000910916707	622486832	/nfs/dbraw/zinc/48/68/32/622486832.db2.gz	ILXODHYMOIIXQB-HNCWSSJKSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(C)oc(C)c1C)C(=O)[O-]	ZINC000910919587	622487161	/nfs/dbraw/zinc/48/71/61/622487161.db2.gz	YLDQMMXRVWJFKY-GFCCVEGCSA-N	-1	0	279.336	2.744	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/C(=C/C)CC)C(=O)[O-]	ZINC000910918042	622487380	/nfs/dbraw/zinc/48/73/80/622487380.db2.gz	WKRRGJJJVLGHGS-USTPUXHZSA-N	-1	0	265.353	2.825	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC000910921628	622487651	/nfs/dbraw/zinc/48/76/51/622487651.db2.gz	DFRJOOTVPNKGQG-MCIONIFRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C(C)C)nc1)C(=O)[O-]	ZINC000910926121	622488284	/nfs/dbraw/zinc/48/82/84/622488284.db2.gz	QOYZVXQINGLNRQ-CQSZACIVSA-N	-1	0	290.363	2.744	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000910926821	622488915	/nfs/dbraw/zinc/48/89/15/622488915.db2.gz	URBUIOUXAYHDKF-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C1CCC(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)CC1	ZINC000910992141	622496642	/nfs/dbraw/zinc/49/66/42/622496642.db2.gz	XOBWJUKECNBNQW-VOTSOKGWSA-N	-1	0	289.331	2.854	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000911465186	622521912	/nfs/dbraw/zinc/52/19/12/622521912.db2.gz	VGPNRFYUSBIBCO-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2cc(Cl)nc(Cl)c2)C1	ZINC000819828665	622565442	/nfs/dbraw/zinc/56/54/42/622565442.db2.gz	LXTUMANYERZMPU-UHFFFAOYSA-N	-1	0	274.107	2.651	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(CC)cc1	ZINC000820616049	622716611	/nfs/dbraw/zinc/71/66/11/622716611.db2.gz	PSZDYBBQTJCFAT-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
CC#CCCCC(=O)Nc1nccc(Br)c1[O-]	ZINC000913026149	622822238	/nfs/dbraw/zinc/82/22/38/622822238.db2.gz	JMAQEVVXHSILDZ-UHFFFAOYSA-N	-1	0	297.152	2.682	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000151075265	622829275	/nfs/dbraw/zinc/82/92/75/622829275.db2.gz	VEHHJDTVIKGODZ-UHFFFAOYSA-N	-1	0	293.388	2.568	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000821451984	622925906	/nfs/dbraw/zinc/92/59/06/622925906.db2.gz	KBSNTOKCVXYKDT-UHFFFAOYSA-N	-1	0	279.292	2.946	20	30		CFEDRM
N#Cc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1	ZINC000156663172	622953430	/nfs/dbraw/zinc/95/34/30/622953430.db2.gz	ZZCLZDFKKSAQCJ-GQCTYLIASA-N	-1	0	265.268	2.866	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](OC)c1ccccc1C(F)(F)F	ZINC000821891512	623002577	/nfs/dbraw/zinc/00/25/77/623002577.db2.gz	FPYOBOPVTDHRCL-NSHDSACASA-N	-1	0	289.253	2.627	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000167607245	623059101	/nfs/dbraw/zinc/05/91/01/623059101.db2.gz	VRRXDOPCWPWSTM-MGPQQGTHSA-N	-1	0	279.380	2.692	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000046708602	623093682	/nfs/dbraw/zinc/09/36/82/623093682.db2.gz	RXOHRVAIZIWURL-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)o1	ZINC000046708940	623094162	/nfs/dbraw/zinc/09/41/62/623094162.db2.gz	CNBBZTPUMULCAU-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(/C)c1cccc(F)c1)C(=O)[O-]	ZINC000823368904	623300001	/nfs/dbraw/zinc/30/00/01/623300001.db2.gz	AVONERQVIONPMY-FPAJZGIOSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2cccc(Cl)c2C#N)C1	ZINC000062933048	623307122	/nfs/dbraw/zinc/30/71/22/623307122.db2.gz	SPJRDCUUPCGGDO-CYBMUJFWSA-N	-1	0	264.712	2.513	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2	ZINC000824033621	623437448	/nfs/dbraw/zinc/43/74/48/623437448.db2.gz	QGDPRXFZUQADLL-QWRGUYRKSA-N	-1	0	290.363	2.538	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Nc1cccnc1Cl	ZINC000824232257	623473159	/nfs/dbraw/zinc/47/31/59/623473159.db2.gz	HMJBOUZKENNXLC-JTQLQIEISA-N	-1	0	283.759	2.549	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814906045	623483357	/nfs/dbraw/zinc/48/33/57/623483357.db2.gz	DJHDXTUWTNINBP-CMPLNLGQSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc(F)c2[O-])C1	ZINC000824972437	623597672	/nfs/dbraw/zinc/59/76/72/623597672.db2.gz	NTQCTJCGMTYYSB-LLVKDONJSA-N	-1	0	263.312	2.960	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1C(C)C	ZINC000826604058	623822425	/nfs/dbraw/zinc/82/24/25/623822425.db2.gz	LOYNMLCSCVJNRI-UHFFFAOYSA-N	-1	0	284.319	2.602	20	30		CFEDRM
CC[C@@H](NN=C1CCC(OC2CCCC2)CC1)C(=O)[O-]	ZINC000834981649	623917478	/nfs/dbraw/zinc/91/74/78/623917478.db2.gz	VMAYSYCIVVYNQH-ARLHGKGLSA-N	-1	0	282.384	2.697	20	30		CFEDRM
N#CCC1CN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000826991281	623920341	/nfs/dbraw/zinc/92/03/41/623920341.db2.gz	YQBYWEXXTWVCQC-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])c(O)c1	ZINC000914694115	623920376	/nfs/dbraw/zinc/92/03/76/623920376.db2.gz	YEFIPSBGZUMPNX-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1	ZINC000915106685	623982950	/nfs/dbraw/zinc/98/29/50/623982950.db2.gz	TVYGTRNIEADDAQ-TWGQIWQCSA-N	-1	0	282.295	2.915	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000827648812	624051671	/nfs/dbraw/zinc/05/16/71/624051671.db2.gz	DPUQXADSDHGWNQ-ZDUSSCGKSA-N	-1	0	295.726	2.689	20	30		CFEDRM
N#CCC[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1	ZINC000153666313	624086329	/nfs/dbraw/zinc/08/63/29/624086329.db2.gz	CNWWAPZDKLAMNQ-JTQLQIEISA-N	-1	0	256.227	2.710	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCc2cc(F)ccc2F)cc1	ZINC000915978136	624200140	/nfs/dbraw/zinc/20/01/40/624200140.db2.gz	BMGXGYYHCPWPCG-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ccc(F)cc2)ccc1[O-]	ZINC000916268283	624233650	/nfs/dbraw/zinc/23/36/50/624233650.db2.gz	VXASZXSIFMWNLZ-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)cc1	ZINC000916282811	624236247	/nfs/dbraw/zinc/23/62/47/624236247.db2.gz	RISNDBIYPCUTEX-UHFFFAOYSA-N	-1	0	291.742	2.765	20	30		CFEDRM
CCC(C=Nn1c(=S)[n-]nc1C(F)(F)F)CC	ZINC000916305081	624238291	/nfs/dbraw/zinc/23/82/91/624238291.db2.gz	KYTCSYQZHGBOPF-UHFFFAOYSA-N	-1	0	266.292	2.856	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2csc([N+](=O)[O-])c2)c1	ZINC000917531107	624355693	/nfs/dbraw/zinc/35/56/93/624355693.db2.gz	UQTOVPKLLHGFDE-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
CCOc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1	ZINC000917555053	624359503	/nfs/dbraw/zinc/35/95/03/624359503.db2.gz	OWZHLKCGQPDUPI-UHFFFAOYSA-N	-1	0	296.334	2.588	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1	ZINC000917555760	624359512	/nfs/dbraw/zinc/35/95/12/624359512.db2.gz	XDJBZYRECOJMDB-UHFFFAOYSA-N	-1	0	266.308	2.579	20	30		CFEDRM
CC(C)CCNC(=S)NN=Cc1ccc(O)c(Cl)c1	ZINC000921256909	624827686	/nfs/dbraw/zinc/82/76/86/624827686.db2.gz	DTZJYSBMIHUQOK-UHFFFAOYSA-N	-1	0	299.827	2.890	20	30		CFEDRM
N#Cc1cccc([C@H]([N-]C(=O)C(F)F)C(F)(F)F)c1	ZINC000831112801	624961661	/nfs/dbraw/zinc/96/16/61/624961661.db2.gz	NQWXUULFDOXYMQ-QMMMGPOBSA-N	-1	0	278.180	2.543	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1	ZINC000179729090	624975208	/nfs/dbraw/zinc/97/52/08/624975208.db2.gz	UOYILWSLTMRFNN-UHFFFAOYSA-N	-1	0	299.236	2.666	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCOC(C)C)c(C)c1	ZINC000069537439	625144588	/nfs/dbraw/zinc/14/45/88/625144588.db2.gz	OMMCLRYBWPIWFQ-UHFFFAOYSA-N	-1	0	299.392	2.764	20	30		CFEDRM
C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000182168721	625263330	/nfs/dbraw/zinc/26/33/30/625263330.db2.gz	JRKDQTAZPWIBHZ-PFMRQGHBSA-N	-1	0	291.332	2.980	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(C(C)C)c1	ZINC000851603527	634453070	/nfs/dbraw/zinc/45/30/70/634453070.db2.gz	STAHFOVVARXTIJ-UHFFFAOYSA-N	-1	0	261.321	2.523	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@@H]1C	ZINC000073289746	625821535	/nfs/dbraw/zinc/82/15/35/625821535.db2.gz	KFHMDYFRLXYTGV-RYUDHWBXSA-N	-1	0	291.413	2.524	20	30		CFEDRM
CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000073289731	625821574	/nfs/dbraw/zinc/82/15/74/625821574.db2.gz	UZHBYSHBWVNKGL-LBPRGKRZSA-N	-1	0	291.413	2.667	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc(F)n1	ZINC000814927926	625907477	/nfs/dbraw/zinc/90/74/77/625907477.db2.gz	NLEYUSJSGANIQY-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H](CCC(C)C)C2)[n-]c1=O	ZINC000834926235	625924921	/nfs/dbraw/zinc/92/49/21/625924921.db2.gz	XXZUHJQKTPWQKM-NSHDSACASA-N	-1	0	277.372	2.890	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C)C(C)(C)C	ZINC000814937947	625928889	/nfs/dbraw/zinc/92/88/89/625928889.db2.gz	SLTLSSWKQYMNGY-DCAQKATOSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC(=NNCC1CCCC1)c1csc(C(=O)[O-])c1	ZINC000814933278	625927403	/nfs/dbraw/zinc/92/74/03/625927403.db2.gz	JTWXGPSPPGZMTM-UHFFFAOYSA-N	-1	0	266.366	2.950	20	30		CFEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966346	625936262	/nfs/dbraw/zinc/93/62/62/625936262.db2.gz	GMBBUOZBUUMWKL-LLVKDONJSA-N	-1	0	280.324	2.606	20	30		CFEDRM
CCn1c(C)cc(CN=Nc2ccc(C(=O)[O-])nc2)c1C	ZINC000835007601	625954621	/nfs/dbraw/zinc/95/46/21/625954621.db2.gz	ZISJZULSVUKOGL-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1	ZINC000835008518	625955017	/nfs/dbraw/zinc/95/50/17/625955017.db2.gz	KNBNGRKMGXBTKV-IUODEOHRSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009309	625956321	/nfs/dbraw/zinc/95/63/21/625956321.db2.gz	UEJJNEHRDXXQGW-SSDOTTSWSA-N	-1	0	268.313	2.817	20	30		CFEDRM
C[C@]12C[C@H]1CCCC2N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010217	625956967	/nfs/dbraw/zinc/95/69/67/625956967.db2.gz	UAFCYQHBSLUUQC-OTYXRUKQSA-N	-1	0	259.309	2.758	20	30		CFEDRM
CCCON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000842555523	625984111	/nfs/dbraw/zinc/98/41/11/625984111.db2.gz	XOSCDQQTKKWQTD-UHFFFAOYSA-N	-1	0	250.298	2.547	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1	ZINC000091127300	626066438	/nfs/dbraw/zinc/06/64/38/626066438.db2.gz	HXGKZBGGQFAXOD-UHFFFAOYSA-N	-1	0	283.349	2.529	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(Br)c1	ZINC000086138474	626251679	/nfs/dbraw/zinc/25/16/79/626251679.db2.gz	AOYBMURKUCWCPK-UHFFFAOYSA-N	-1	0	290.182	2.583	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923186572	626455534	/nfs/dbraw/zinc/45/55/34/626455534.db2.gz	JWEBGVROLSEETQ-OAHLLOKOSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CC(C)C2)c1	ZINC000923083741	626449691	/nfs/dbraw/zinc/44/96/91/626449691.db2.gz	RSGJQYVKPMWYMQ-NOEPWBJOSA-N	-1	0	286.331	2.753	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923105386	626451648	/nfs/dbraw/zinc/45/16/48/626451648.db2.gz	SXYLITJPSIKFMQ-WRWGMCAJSA-N	-1	0	285.771	2.525	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000923105725	626451649	/nfs/dbraw/zinc/45/16/49/626451649.db2.gz	DMKVDYRUACWVOU-AWEZNQCLSA-N	-1	0	292.360	2.985	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000923144965	626452959	/nfs/dbraw/zinc/45/29/59/626452959.db2.gz	PRWBJDGEWOHSHQ-DOMZBBRYSA-N	-1	0	267.369	2.813	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	ZINC000923142648	626452983	/nfs/dbraw/zinc/45/29/83/626452983.db2.gz	ULAZJDKLHIGOIB-PWSUYJOCSA-N	-1	0	291.372	2.558	20	30		CFEDRM
C=CCC1(C(=O)NC[C@](C)(CC(C)C)C(=O)[O-])CCC1	ZINC000923183394	626455193	/nfs/dbraw/zinc/45/51/93/626455193.db2.gz	LAGHKGKZQMRKJN-HNNXBMFYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923184966	626455264	/nfs/dbraw/zinc/45/52/64/626455264.db2.gz	AXESMIAVOPZIAH-OAHLLOKOSA-N	-1	0	269.385	2.842	20	30		CFEDRM
Cc1nsc(NC([O-])=NOC2CCCCC2)c1C#N	ZINC000839106960	626525230	/nfs/dbraw/zinc/52/52/30/626525230.db2.gz	QVVAMEICAGVQNO-UHFFFAOYSA-N	-1	0	280.353	2.709	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809155307	626539445	/nfs/dbraw/zinc/53/94/45/626539445.db2.gz	TZAVTJWFLWYQSZ-HYXAFXHYSA-N	-1	0	289.312	2.751	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000839789158	626555502	/nfs/dbraw/zinc/55/55/02/626555502.db2.gz	WEFWIUGHTNAJQN-GFCCVEGCSA-N	-1	0	261.321	2.565	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNC1CCOCC1	ZINC000757599156	626556181	/nfs/dbraw/zinc/55/61/81/626556181.db2.gz	RQBSNHSOXOTQAQ-UHFFFAOYSA-N	-1	0	289.162	2.802	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2nc(Cl)cs2)c1	ZINC000758088435	626575978	/nfs/dbraw/zinc/57/59/78/626575978.db2.gz	DPDKURWVGNNSGU-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
Cc1nnc(NN=Cc2cc3ccccc3s2)[n-]c1=O	ZINC000758365833	626589842	/nfs/dbraw/zinc/58/98/42/626589842.db2.gz	GAQXDIFATKFJIV-UHFFFAOYSA-N	-1	0	285.332	2.546	20	30		CFEDRM
C=C[C@@](C)(CC)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759687937	626683371	/nfs/dbraw/zinc/68/33/71/626683371.db2.gz	VTHHJHRAHQGPSM-LBPRGKRZSA-N	-1	0	295.301	2.589	20	30		CFEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1	ZINC000760228411	626722159	/nfs/dbraw/zinc/72/21/59/626722159.db2.gz	HDYDEVVQKVHZGJ-VMSYHEBLSA-N	-1	0	259.265	2.809	20	30		CFEDRM
CSc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763369572	626983407	/nfs/dbraw/zinc/98/34/07/626983407.db2.gz	YFMJCHDCOBARRG-UHFFFAOYSA-N	-1	0	287.344	2.948	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccnc3ccccc23)nc1	ZINC000763372079	626984141	/nfs/dbraw/zinc/98/41/41/626984141.db2.gz	QOPCPCITXPKHGG-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccc(CC(=O)[O-])cc1	ZINC000764847199	627101075	/nfs/dbraw/zinc/10/10/75/627101075.db2.gz	UDCBSSAKGVNRHG-UHFFFAOYSA-N	-1	0	275.226	2.617	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCOCC2CCC2)c1	ZINC000764887150	627104898	/nfs/dbraw/zinc/10/48/98/627104898.db2.gz	GHBFGFAABQOURY-OQLLNIDSSA-N	-1	0	278.308	2.536	20	30		CFEDRM
O=C([O-])c1csc(/C=C2\Cc3c(cccc3O)C2=O)c1	ZINC000765825049	627159743	/nfs/dbraw/zinc/15/97/43/627159743.db2.gz	NGYLGZGUEWQQEJ-XBXARRHUSA-N	-1	0	286.308	2.974	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000766433126	627203217	/nfs/dbraw/zinc/20/32/17/627203217.db2.gz	ZGKJFZOQQGNYCV-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2cncs2)c1	ZINC000767718734	627280178	/nfs/dbraw/zinc/28/01/78/627280178.db2.gz	VHHUOQZESXLWTA-SNAWJCMRSA-N	-1	0	289.312	2.503	20	30		CFEDRM
CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])nc1	ZINC000768119136	627317272	/nfs/dbraw/zinc/31/72/72/627317272.db2.gz	AUIGVSRFIRDYCH-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H](F)c2ccccc2)c1	ZINC000769613087	627461299	/nfs/dbraw/zinc/46/12/99/627461299.db2.gz	MJDNFXMKJVVEHX-CQSZACIVSA-N	-1	0	270.263	2.913	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H](F)c2ccccc2)c1	ZINC000769613083	627461310	/nfs/dbraw/zinc/46/13/10/627461310.db2.gz	MJDNFXMKJVVEHX-AWEZNQCLSA-N	-1	0	270.263	2.913	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2ccco2)c1	ZINC000769771629	627473336	/nfs/dbraw/zinc/47/33/36/627473336.db2.gz	RRQAVVSVKVSKDR-VOTSOKGWSA-N	-1	0	272.256	2.639	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNCC(F)(F)F	ZINC000769808059	627476672	/nfs/dbraw/zinc/47/66/72/627476672.db2.gz	IYQPPPBAYPVGCT-UHFFFAOYSA-N	-1	0	252.623	2.531	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1	ZINC000770591041	627532292	/nfs/dbraw/zinc/53/22/92/627532292.db2.gz	VQXLPUCFYFQXTB-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)CC(C)(C)C	ZINC000770866553	627552222	/nfs/dbraw/zinc/55/22/22/627552222.db2.gz	SXUJDBMHALMBBR-NWDGAFQWSA-N	-1	0	289.379	2.774	20	30		CFEDRM
O=C1c2ccccc2O/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772803921	627747297	/nfs/dbraw/zinc/74/72/97/627747297.db2.gz	ACMFHHFXXOBBDR-RIYZIHGNSA-N	-1	0	283.239	2.917	20	30		CFEDRM
CC(=NNc1ccnc2ccccc21)c1ccc(C(=O)[O-])o1	ZINC000773055545	627775521	/nfs/dbraw/zinc/77/55/21/627775521.db2.gz	YUBZAPANUZJQJQ-UHFFFAOYSA-N	-1	0	295.298	2.784	20	30		CFEDRM
COc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1C	ZINC000773080186	627780732	/nfs/dbraw/zinc/78/07/32/627780732.db2.gz	POQONVFHZCZKHN-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774129178	627891355	/nfs/dbraw/zinc/89/13/55/627891355.db2.gz	DTTLGGXNTWUFKU-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CCC(CC)CNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000774462702	627929957	/nfs/dbraw/zinc/92/99/57/627929957.db2.gz	MIOCGYDXTNAICZ-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC000775695569	628056014	/nfs/dbraw/zinc/05/60/14/628056014.db2.gz	NBVFYFXTWOTBLN-VIFPVBQESA-N	-1	0	266.728	2.714	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000776630117	628165924	/nfs/dbraw/zinc/16/59/24/628165924.db2.gz	BLIIHDGUJPKZED-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
C[C@H](NN=Cc1ccc(O)c(C(=O)[O-])c1)c1ccccc1	ZINC000777432801	628224896	/nfs/dbraw/zinc/22/48/96/628224896.db2.gz	KRWMGGGLJKGHQC-NSHDSACASA-N	-1	0	284.315	2.775	20	30		CFEDRM
CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(F)c1	ZINC000777428759	628224941	/nfs/dbraw/zinc/22/49/41/628224941.db2.gz	WNFLTQZANNHTAF-UHFFFAOYSA-N	-1	0	298.273	2.858	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)nc2)s1	ZINC000777468674	628228568	/nfs/dbraw/zinc/22/85/68/628228568.db2.gz	VUQWUABVEUWUEE-IWQZZHSRSA-N	-1	0	277.276	2.877	20	30		CFEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]OC1CCCCC1	ZINC000777950591	628267102	/nfs/dbraw/zinc/26/71/02/628267102.db2.gz	UJRDRVHDBZUQCN-LBPRGKRZSA-N	-1	0	288.347	2.706	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc3n[nH]cc3c2)cc1	ZINC000779811055	628409930	/nfs/dbraw/zinc/40/99/30/628409930.db2.gz	BYJBOOPWKMTXMU-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C(/C=C/c1cncnc1)c1cc(Cl)ccc1[O-]	ZINC000781112051	628522569	/nfs/dbraw/zinc/52/25/69/628522569.db2.gz	SZZJGPIRZBEVKY-HNQUOIGGSA-N	-1	0	260.680	2.732	20	30		CFEDRM
O=C([O-])c1cccc(NN=C2COCc3ccccc32)c1	ZINC000782110310	628605842	/nfs/dbraw/zinc/60/58/42/628605842.db2.gz	HIXFONCQYYUETC-UHFFFAOYSA-N	-1	0	282.299	2.731	20	30		CFEDRM
O=C([O-])c1ccccc1NN=C1COCc2ccccc21	ZINC000782176432	628609742	/nfs/dbraw/zinc/60/97/42/628609742.db2.gz	HYXYZUXULKREPX-UHFFFAOYSA-N	-1	0	282.299	2.731	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccncc2)c1	ZINC000782199600	628613691	/nfs/dbraw/zinc/61/36/91/628613691.db2.gz	ILLKQMUJFQSPIY-UPHRSURJSA-N	-1	0	259.286	2.737	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cc(O)ccc2O)c1	ZINC000782206219	628614246	/nfs/dbraw/zinc/61/42/46/628614246.db2.gz	IWCVOCYKXPQHOF-RQOWECAXSA-N	-1	0	290.296	2.754	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000782290315	628624818	/nfs/dbraw/zinc/62/48/18/628624818.db2.gz	XSQWCFOYDUUAKM-CYBMUJFWSA-N	-1	0	277.324	2.803	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccccc1OCC(=O)[O-]	ZINC000782301682	628626563	/nfs/dbraw/zinc/62/65/63/628626563.db2.gz	RBVLTXLTMHWYKZ-CQSZACIVSA-N	-1	0	290.363	2.652	20	30		CFEDRM
CC(C)(C)CCNN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000782902917	628662572	/nfs/dbraw/zinc/66/25/72/628662572.db2.gz	LGKUMSXDCFRRJN-UHFFFAOYSA-N	-1	0	288.351	2.621	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)[N-]OC1CCCCC1	ZINC000783717603	628737590	/nfs/dbraw/zinc/73/75/90/628737590.db2.gz	MJLIQYWQGXYQIZ-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
Cc1nnc(N=NC(C)C2CCCCCC2)[n-]c1=O	ZINC000783805152	628746968	/nfs/dbraw/zinc/74/69/68/628746968.db2.gz	GIWITBIAYOYZBR-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
CC(C)CNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783862867	628750766	/nfs/dbraw/zinc/75/07/66/628750766.db2.gz	GVBKTZDFXVAVOK-UHFFFAOYSA-N	-1	0	254.717	2.618	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784829713	628844284	/nfs/dbraw/zinc/84/42/84/628844284.db2.gz	YEDOACSCXMTHCU-CYBMUJFWSA-N	-1	0	296.326	2.794	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)co1	ZINC000786542880	628967959	/nfs/dbraw/zinc/96/79/59/628967959.db2.gz	QQOGIKVLPMQVJG-OAHLLOKOSA-N	-1	0	296.326	2.535	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2cc(C(=O)[O-])ccc2C)n1	ZINC000788407988	629064521	/nfs/dbraw/zinc/06/45/21/629064521.db2.gz	JOYRXGUZQVKLQS-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(-c2cc[nH]n2)o1	ZINC000788423275	629065093	/nfs/dbraw/zinc/06/50/93/629065093.db2.gz	UVUAACLWANUQQS-UHFFFAOYSA-N	-1	0	296.286	2.814	20	30		CFEDRM
COc1cccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)n1	ZINC000788439702	629067055	/nfs/dbraw/zinc/06/70/55/629067055.db2.gz	VLPRMUJFCWBUCG-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
C#CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCCCC1	ZINC000788504574	629075686	/nfs/dbraw/zinc/07/56/86/629075686.db2.gz	CCOMFGONLUBYSB-ZDUSSCGKSA-N	-1	0	265.353	2.535	20	30		CFEDRM
C=CCCCCCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000788966072	629111893	/nfs/dbraw/zinc/11/18/93/629111893.db2.gz	ISHUDZSBCVUXKA-UHFFFAOYSA-N	-1	0	263.345	2.810	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2nc(Cl)cs2)nc(C)n1	ZINC000789405063	629153672	/nfs/dbraw/zinc/15/36/72/629153672.db2.gz	YSYQUMUNFIEDFP-QMMMGPOBSA-N	-1	0	292.751	2.693	20	30		CFEDRM
CC(=Cc1ccc(Cl)nc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000789829441	629190472	/nfs/dbraw/zinc/19/04/72/629190472.db2.gz	OCDPSSLKNKLCOQ-YVMONPNESA-N	-1	0	286.722	2.559	20	30		CFEDRM
CC[C@@H](C)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790180779	629216174	/nfs/dbraw/zinc/21/61/74/629216174.db2.gz	AJDPFNRGYHBBPV-SSDOTTSWSA-N	-1	0	271.704	2.676	20	30		CFEDRM
CC[C@@H](C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000791501946	629322946	/nfs/dbraw/zinc/32/29/46/629322946.db2.gz	FHEJULTXVDQRJZ-MWLCHTKSSA-N	-1	0	294.376	2.607	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)CCC1	ZINC000791763427	629353727	/nfs/dbraw/zinc/35/37/27/629353727.db2.gz	RAXSKKQIAGFUJL-UHFFFAOYSA-N	-1	0	299.417	2.608	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1	ZINC000792113441	629398783	/nfs/dbraw/zinc/39/87/83/629398783.db2.gz	ISAKGLPERACVOH-LBPRGKRZSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCC(C)C)CCCC1	ZINC000835150108	629464348	/nfs/dbraw/zinc/46/43/48/629464348.db2.gz	LVTHFDZRPHVBJZ-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(OCC(C)C)cc1)C(=O)[O-]	ZINC000793057934	629481581	/nfs/dbraw/zinc/48/15/81/629481581.db2.gz	RXINCJKJXBJIEG-OAHLLOKOSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(OCC(C)C)cc1)C(=O)[O-]	ZINC000793057933	629481652	/nfs/dbraw/zinc/48/16/52/629481652.db2.gz	RXINCJKJXBJIEG-HNNXBMFYSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC[C@H](NN=Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-]	ZINC000793071692	629482702	/nfs/dbraw/zinc/48/27/02/629482702.db2.gz	FZMIEKADXMNDSY-HNNXBMFYSA-N	-1	0	298.342	2.846	20	30		CFEDRM
CCOc1c(Cl)cccc1C=NN[C@@H](CC)C(=O)[O-]	ZINC000793071903	629482791	/nfs/dbraw/zinc/48/27/91/629482791.db2.gz	MWFPQGSQJGHQPR-NSHDSACASA-N	-1	0	284.743	2.525	20	30		CFEDRM
CC[C@@H](NN=C1C[C@@H](Oc2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793070906	629483070	/nfs/dbraw/zinc/48/30/70/629483070.db2.gz	FYEHZHBCNQVEER-TZMCWYRMSA-N	-1	0	290.363	2.673	20	30		CFEDRM
CC[C@H](NN=C(Cc1ccccc1OC)C(C)C)C(=O)[O-]	ZINC000793073274	629483480	/nfs/dbraw/zinc/48/34/80/629483480.db2.gz	RHPOOLCXSHNLOU-ZDUSSCGKSA-N	-1	0	292.379	2.703	20	30		CFEDRM
CC[C@H](NN=C1CCC(C#N)(c2ccccc2)CC1)C(=O)[O-]	ZINC000793079845	629484619	/nfs/dbraw/zinc/48/46/19/629484619.db2.gz	UGLKFKJXXGPPJG-MYJWUSKBSA-N	-1	0	299.374	2.831	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(C)sc1C)C(=O)[O-]	ZINC000793080367	629485104	/nfs/dbraw/zinc/48/51/04/629485104.db2.gz	XUAIOPJNIPEGIG-LLVKDONJSA-N	-1	0	254.355	2.542	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)CCC=C2	ZINC000793127467	629490973	/nfs/dbraw/zinc/49/09/73/629490973.db2.gz	YWOXAHHMSVZIQR-INIZCTEOSA-N	-1	0	294.354	2.591	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000793158133	629494457	/nfs/dbraw/zinc/49/44/57/629494457.db2.gz	DEHWHEWQOMMJGA-NSHDSACASA-N	-1	0	295.335	2.555	20	30		CFEDRM
CC[C@H](C)CON=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000793160734	629495216	/nfs/dbraw/zinc/49/52/16/629495216.db2.gz	XDGUUHXFUISDSW-VIFPVBQESA-N	-1	0	275.308	2.658	20	30		CFEDRM
C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000793378985	629534377	/nfs/dbraw/zinc/53/43/77/629534377.db2.gz	OSLCGALRZMPIKH-ZDUSSCGKSA-N	-1	0	298.298	2.714	20	30		CFEDRM
Cc1ccncc1C=NNc1cccc(C(=O)[O-])c1	ZINC000794451968	629647825	/nfs/dbraw/zinc/64/78/25/629647825.db2.gz	KJQLHHHEMLMCLK-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C[C@H]1COC(=O)C1=N[N-]c1nc(-c2ccccc2)cs1	ZINC000794887105	629699614	/nfs/dbraw/zinc/69/96/14/629699614.db2.gz	FTVMLILKEKTBBK-VIFPVBQESA-N	-1	0	287.344	2.771	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1ccccc1C(=O)[O-]	ZINC000794989797	629718546	/nfs/dbraw/zinc/71/85/46/629718546.db2.gz	DFJTXZLBGYMZEJ-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1ccccc1C(=O)[O-]	ZINC000795008944	629723413	/nfs/dbraw/zinc/72/34/13/629723413.db2.gz	UNRUDTQELQYBPY-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccc2ccccc2c1	ZINC000797707188	630097053	/nfs/dbraw/zinc/09/70/53/630097053.db2.gz	NAPAAAWXGYGSTD-UHFFFAOYSA-N	-1	0	298.342	2.622	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C)c1C	ZINC000797723572	630097968	/nfs/dbraw/zinc/09/79/68/630097968.db2.gz	GLOJRRGFGKCOGD-ZDUSSCGKSA-N	-1	0	290.363	2.647	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C)c1C	ZINC000797723571	630098157	/nfs/dbraw/zinc/09/81/57/630098157.db2.gz	GLOJRRGFGKCOGD-CYBMUJFWSA-N	-1	0	290.363	2.647	20	30		CFEDRM
C/C(=C/Cl)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000797809376	630106591	/nfs/dbraw/zinc/10/65/91/630106591.db2.gz	AKZPSBWEWQQKJB-BAQGIRSFSA-N	-1	0	294.767	2.682	20	30		CFEDRM
Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(C#N)cs1	ZINC000798233977	630169668	/nfs/dbraw/zinc/16/96/68/630169668.db2.gz	HGLGNSNNVCGGFJ-UHFFFAOYSA-N	-1	0	299.258	2.770	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000835951409	630170860	/nfs/dbraw/zinc/17/08/60/630170860.db2.gz	PMLKJXQBGVOBQN-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
N#CC1(COC(=O)c2cc([S-])ccc2F)CC1	ZINC000798724149	630235566	/nfs/dbraw/zinc/23/55/66/630235566.db2.gz	GXSOKWSNQFSXHL-UHFFFAOYSA-N	-1	0	251.282	2.575	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(F)cc2)cc1C(=O)[O-]	ZINC000800804731	630406558	/nfs/dbraw/zinc/40/65/58/630406558.db2.gz	BDKWSAPXZDFKHW-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(Cl)c1[O-]	ZINC000836879027	630906619	/nfs/dbraw/zinc/90/66/19/630906619.db2.gz	HCXYKFXKTKHYBM-NEPJUHHUSA-N	-1	0	281.739	2.509	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C(C)(C)C	ZINC000807883860	630918857	/nfs/dbraw/zinc/91/88/57/630918857.db2.gz	GSIPVGUNFJWYTK-LLVKDONJSA-N	-1	0	283.730	2.962	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@H]1SC	ZINC000807943455	630924188	/nfs/dbraw/zinc/92/41/88/630924188.db2.gz	GSMOBKKOMUVNGI-QWHCGFSZSA-N	-1	0	294.376	2.693	20	30		CFEDRM
CCOC(=O)CC(C)(C)CN=Nc1ccc(C(=O)[O-])cc1	ZINC000807938341	630924340	/nfs/dbraw/zinc/92/43/40/630924340.db2.gz	BLKOOABZYCTCTJ-UHFFFAOYSA-N	-1	0	292.335	2.762	20	30		CFEDRM
C=CCO[N-]C(=O)COc1ccccc1C(C)(C)C	ZINC000837042913	630943236	/nfs/dbraw/zinc/94/32/36/630943236.db2.gz	HJKJMMXKFZJWCK-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=CCO[N-]C(=O)CSc1ccc2c(c1)CCC2	ZINC000837044820	630944046	/nfs/dbraw/zinc/94/40/46/630944046.db2.gz	SVRONNAFFCUPKJ-UHFFFAOYSA-N	-1	0	263.362	2.501	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1	ZINC000837047540	630945236	/nfs/dbraw/zinc/94/52/36/630945236.db2.gz	BQHPXUQTWLYPNN-VIFPVBQESA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C	ZINC000837049874	630946160	/nfs/dbraw/zinc/94/61/60/630946160.db2.gz	SFYZDJNOUFYVCC-ZDUSSCGKSA-N	-1	0	283.755	2.977	20	30		CFEDRM
N#Cc1ccccc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809155995	631090883	/nfs/dbraw/zinc/09/08/83/631090883.db2.gz	BAAHLEZHKZEKIM-FNORWQNLSA-N	-1	0	293.278	2.858	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccco2)ccc1O	ZINC000809158846	631091567	/nfs/dbraw/zinc/09/15/67/631091567.db2.gz	XIFUTHMGPLFXTL-XQRVVYSFSA-N	-1	0	258.229	2.580	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccnc(F)c2)ccc1O	ZINC000809158526	631091711	/nfs/dbraw/zinc/09/17/11/631091711.db2.gz	ZKWVGLCTUPJYRV-IWQZZHSRSA-N	-1	0	287.246	2.521	20	30		CFEDRM
O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccs1	ZINC000042243954	649996602	/nfs/dbraw/zinc/99/66/02/649996602.db2.gz	RXDQNPJTXZZHOS-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1	ZINC000042242299	649996686	/nfs/dbraw/zinc/99/66/86/649996686.db2.gz	FFAMPRBLMMZNNP-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccccc1	ZINC000042320263	649997872	/nfs/dbraw/zinc/99/78/72/649997872.db2.gz	MQWKHAOPAWFYDT-VAWYXSNFSA-N	-1	0	287.340	2.992	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cc1)CC(C)C	ZINC000841604400	631428041	/nfs/dbraw/zinc/42/80/41/631428041.db2.gz	VMJOYDSIPJQVJH-ZDUSSCGKSA-N	-1	0	264.325	2.844	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(CC)CCCC2)CC1	ZINC000810987288	631491326	/nfs/dbraw/zinc/49/13/26/631491326.db2.gz	FXJSVAUGFAEAOE-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@H]2C)CC1	ZINC000810983400	631491356	/nfs/dbraw/zinc/49/13/56/631491356.db2.gz	SPVOJSRFBFDBEY-OLZOCXBDSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2CCCCC2)CC1	ZINC000810982023	631491374	/nfs/dbraw/zinc/49/13/74/631491374.db2.gz	JYIIVZATIGCMOE-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(C)C)CC1	ZINC000810985603	631491394	/nfs/dbraw/zinc/49/13/94/631491394.db2.gz	CASWNGXKZZCGMC-LBPRGKRZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2cc(F)ccc2[O-])n1	ZINC000811693027	631607105	/nfs/dbraw/zinc/60/71/05/631607105.db2.gz	JEPJGAHJOXLIOT-ARJAWSKDSA-N	-1	0	274.276	2.756	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C	ZINC000812786241	631774707	/nfs/dbraw/zinc/77/47/07/631774707.db2.gz	FZQOPQIRFXRZMF-CYBMUJFWSA-N	-1	0	275.348	2.567	20	30		CFEDRM
N#CC(=C([O-])C=C[C@H]1CCOC1)c1nc(C2CC2)cs1	ZINC000842942602	631788120	/nfs/dbraw/zinc/78/81/20/631788120.db2.gz	LKECGLYWILUQNA-WMTYHAALSA-N	-1	0	288.372	2.789	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc(C2CC2)cs1	ZINC000842940327	631788441	/nfs/dbraw/zinc/78/84/41/631788441.db2.gz	BITBHTCFJSUMCV-SNVBAGLBSA-N	-1	0	260.318	2.501	20	30		CFEDRM
C=CCCONC(=O)Cc1ccc(C)cc1Br	ZINC000856027243	635702507	/nfs/dbraw/zinc/70/25/07/635702507.db2.gz	FLYSBKBPDIKUNY-UHFFFAOYSA-N	-1	0	298.180	2.924	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC000844000256	632092078	/nfs/dbraw/zinc/09/20/78/632092078.db2.gz	UYYSLNJYILUALV-SNVBAGLBSA-N	-1	0	279.286	2.546	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680187	632106860	/nfs/dbraw/zinc/10/68/60/632106860.db2.gz	DYLRFQFHSRIHQS-MRVPVSSYSA-N	-1	0	250.323	2.678	20	30		CFEDRM
CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1cc(N)ccc1F	ZINC000814687693	632108841	/nfs/dbraw/zinc/10/88/41/632108841.db2.gz	RJALAHUKFBVSTP-UHFFFAOYSA-N	-1	0	287.294	2.942	20	30		CFEDRM
CC(CCCO)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814690169	632109671	/nfs/dbraw/zinc/10/96/71/632109671.db2.gz	WWJKJXWDMWXXNR-UHFFFAOYSA-N	-1	0	270.716	2.599	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nncc2ccccc21	ZINC000814706407	632111724	/nfs/dbraw/zinc/11/17/24/632111724.db2.gz	ZJMGYRPYNHSGQZ-GHMZBOCLSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nncc2ccccc21	ZINC000814706409	632111750	/nfs/dbraw/zinc/11/17/50/632111750.db2.gz	ZJMGYRPYNHSGQZ-QWRGUYRKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814764390	632120028	/nfs/dbraw/zinc/12/00/28/632120028.db2.gz	WJVLUDVKDIDJBV-GHMZBOCLSA-N	-1	0	299.440	2.518	20	30		CFEDRM
N#Cc1cccc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814786414	632123481	/nfs/dbraw/zinc/12/34/81/632123481.db2.gz	IOSMBBVGAVKZKJ-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cncc(Cl)n1	ZINC000814797959	632126376	/nfs/dbraw/zinc/12/63/76/632126376.db2.gz	SRFHJAPEQUBUTH-UHFFFAOYSA-N	-1	0	282.731	2.563	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NNC1CCCC1)CC2	ZINC000814832575	632134520	/nfs/dbraw/zinc/13/45/20/632134520.db2.gz	IJLFJJKFOUCYPZ-UHFFFAOYSA-N	-1	0	272.348	2.762	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)nn1	ZINC000814840990	632135928	/nfs/dbraw/zinc/13/59/28/632135928.db2.gz	WZZNUIBIHPILGW-GHMZBOCLSA-N	-1	0	290.367	2.710	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(F)cn1	ZINC000814842957	632137180	/nfs/dbraw/zinc/13/71/80/632137180.db2.gz	WGAAKUXRCNTFLV-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CCC(CC)NN=C(C)c1csc(C(=O)[O-])c1	ZINC000814851754	632138946	/nfs/dbraw/zinc/13/89/46/632138946.db2.gz	STLZTFYJJXKEEH-UHFFFAOYSA-N	-1	0	254.355	2.949	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccc(Cl)nc2)c1	ZINC000814859447	632140429	/nfs/dbraw/zinc/14/04/29/632140429.db2.gz	VIVINSPSBLMXOV-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000814867705	632142293	/nfs/dbraw/zinc/14/22/93/632142293.db2.gz	CDVUPRMPCQFINX-ZYHUDNBSSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])C[C@@H]2C)c1	ZINC000814868239	632142296	/nfs/dbraw/zinc/14/22/96/632142296.db2.gz	YBWXUCKLLDCEBK-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCC(F)(F)F)C1	ZINC000814880197	632146976	/nfs/dbraw/zinc/14/69/76/632146976.db2.gz	UVOHCSFUAPRRHY-UHFFFAOYSA-N	-1	0	287.237	2.738	20	30		CFEDRM
COc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814884943	632148573	/nfs/dbraw/zinc/14/85/73/632148573.db2.gz	FNUBRDQPDTXZAL-GHMZBOCLSA-N	-1	0	276.336	2.984	20	30		CFEDRM
O=C([O-])C1CC(=NOc2ccccc2C(F)(F)F)C1	ZINC000814888374	632150149	/nfs/dbraw/zinc/15/01/49/632150149.db2.gz	XCMWDJXEDDYJNK-UHFFFAOYSA-N	-1	0	273.210	2.935	20	30		CFEDRM
C[C@H]1CC(N=NCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814888321	632150249	/nfs/dbraw/zinc/15/02/49/632150249.db2.gz	VSPHYUNUHOBCAJ-FZMZJTMJSA-N	-1	0	260.337	2.653	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCS[C@@H]1C	ZINC000814887915	632150330	/nfs/dbraw/zinc/15/03/30/632150330.db2.gz	SQDSHGQAIGCMBN-MRVPVSSYSA-N	-1	0	280.349	2.687	20	30		CFEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccnc1	ZINC000814890753	632150761	/nfs/dbraw/zinc/15/07/61/632150761.db2.gz	YCRFDYNBPHXUIO-UHFFFAOYSA-N	-1	0	284.319	2.791	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3occc32)nc1	ZINC000814890018	632150930	/nfs/dbraw/zinc/15/09/30/632150930.db2.gz	GGYJFKMLPGHODU-UHFFFAOYSA-N	-1	0	271.276	2.525	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCCC(C)(C)C	ZINC000814901444	632155751	/nfs/dbraw/zinc/15/57/51/632155751.db2.gz	NKBMFIZYYKRJTR-QWRGUYRKSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C[C@H]1C(=NOCC(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814903848	632157469	/nfs/dbraw/zinc/15/74/69/632157469.db2.gz	DWKYKFHFUPYIKY-JGVFFNPUSA-N	-1	0	263.284	2.781	20	30		CFEDRM
C[C@H]1CC(N=NC2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000814909240	632160045	/nfs/dbraw/zinc/16/00/45/632160045.db2.gz	IYYDCXDKZKIIMB-GXFFZTMASA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@@H]1C(=NOC[C@H]2CCOC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814912472	632161658	/nfs/dbraw/zinc/16/16/58/632161658.db2.gz	UEZFTENASZOJLL-WOPDTQHZSA-N	-1	0	283.368	2.552	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncccc1F	ZINC000814927290	632168459	/nfs/dbraw/zinc/16/84/59/632168459.db2.gz	GLBKHRLUVJLERH-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1CN=Nc1cccc(F)n1	ZINC000814928009	632169067	/nfs/dbraw/zinc/16/90/67/632169067.db2.gz	RIHDPQCWHFOUOR-UHFFFAOYSA-N	-1	0	287.294	2.982	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOCC1CC1)CC2	ZINC000814941440	632175808	/nfs/dbraw/zinc/17/58/08/632175808.db2.gz	XKRFZTYHXINSGY-UHFFFAOYSA-N	-1	0	259.305	2.656	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(OC(C)C)c(Cl)c1	ZINC000814959158	632179678	/nfs/dbraw/zinc/17/96/78/632179678.db2.gz	QJBZAWBTZFBBMV-UHFFFAOYSA-N	-1	0	284.743	2.525	20	30		CFEDRM
O=C([O-])CNN=C(Cc1ccccc1)C1CCCCC1	ZINC000814959171	632179913	/nfs/dbraw/zinc/17/99/13/632179913.db2.gz	RHOUVCUWMIYNMU-UHFFFAOYSA-N	-1	0	274.364	2.840	20	30		CFEDRM
O=C([O-])CNN=C1CC(c2ccc(C(F)(F)F)cc2)C1	ZINC000814958853	632179924	/nfs/dbraw/zinc/17/99/24/632179924.db2.gz	WYZVBVFHYHMTQL-UHFFFAOYSA-N	-1	0	286.253	2.613	20	30		CFEDRM
Cc1ccc(COc2ccc(C=NNCC(=O)[O-])cc2)cc1	ZINC000814959311	632179930	/nfs/dbraw/zinc/17/99/30/632179930.db2.gz	ZOWXPHGWECSNAI-UHFFFAOYSA-N	-1	0	298.342	2.582	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000814958700	632179945	/nfs/dbraw/zinc/17/99/45/632179945.db2.gz	LSNJJYRZSHDFCU-LLVKDONJSA-N	-1	0	266.728	2.638	20	30		CFEDRM
CC(C)Oc1ccc([C@H]2CCCC2=NNCC(=O)[O-])cc1	ZINC000814958240	632179952	/nfs/dbraw/zinc/17/99/52/632179952.db2.gz	GVGLJSRCMMYRCD-CQSZACIVSA-N	-1	0	290.363	2.772	20	30		CFEDRM
CCC(NN=CC(=O)[O-])c1ccc2cc(OC)ccc2c1	ZINC000814959806	632180093	/nfs/dbraw/zinc/18/00/93/632180093.db2.gz	BQAGCBWVIQFEIT-UHFFFAOYSA-N	-1	0	286.331	2.637	20	30		CFEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000844601779	632261106	/nfs/dbraw/zinc/26/11/06/632261106.db2.gz	VMQUJAOCDPEDOO-JTQLQIEISA-N	-1	0	259.309	2.924	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000844621200	632265781	/nfs/dbraw/zinc/26/57/81/632265781.db2.gz	WDPKJJQGVQNHDD-CMPLNLGQSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000844621201	632266110	/nfs/dbraw/zinc/26/61/10/632266110.db2.gz	WDPKJJQGVQNHDD-JQWIXIFHSA-N	-1	0	277.320	2.854	20	30		CFEDRM
CC(C)(C)[C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000815711085	632314158	/nfs/dbraw/zinc/31/41/58/632314158.db2.gz	FGVYNIHLVFDSMX-INEUFUBQSA-N	-1	0	283.187	2.980	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cncs1	ZINC000845844226	632578611	/nfs/dbraw/zinc/57/86/11/632578611.db2.gz	PFWRYPAZEMANQJ-LBPRGKRZSA-N	-1	0	296.351	2.766	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cncs1	ZINC000845844225	632578769	/nfs/dbraw/zinc/57/87/69/632578769.db2.gz	PFWRYPAZEMANQJ-GFCCVEGCSA-N	-1	0	296.351	2.766	20	30		CFEDRM
CC(C)(C(=O)[N-]OCCC1CC1)c1cc(F)cc(C#N)c1	ZINC000817446095	632637581	/nfs/dbraw/zinc/63/75/81/632637581.db2.gz	GWPLVOPKPQDLJB-UHFFFAOYSA-N	-1	0	290.338	2.823	20	30		CFEDRM
Cc1c(F)cccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000817712263	632689920	/nfs/dbraw/zinc/68/99/20/632689920.db2.gz	JTUVAQKXXYORNI-CYBMUJFWSA-N	-1	0	288.322	2.515	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)[C@H]1OCCc2sccc21	ZINC000846534306	632724002	/nfs/dbraw/zinc/72/40/02/632724002.db2.gz	OYQUKJVAZRKRGJ-ZWNOBZJWSA-N	-1	0	281.377	2.622	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(C(F)(F)F)CCCC1	ZINC000846534552	632724177	/nfs/dbraw/zinc/72/41/77/632724177.db2.gz	SRPPASZHBZUNFS-UHFFFAOYSA-N	-1	0	251.248	2.733	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000846535366	632724209	/nfs/dbraw/zinc/72/42/09/632724209.db2.gz	ZVVNCSYJIJOHNY-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846536437	632725265	/nfs/dbraw/zinc/72/52/65/632725265.db2.gz	LFDSNWCHKDEXCL-NSHDSACASA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Oc1cccc(C)c1	ZINC000846537483	632726827	/nfs/dbraw/zinc/72/68/27/632726827.db2.gz	MPKWXMAFKZICOM-AWEZNQCLSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000846543391	632732038	/nfs/dbraw/zinc/73/20/38/632732038.db2.gz	JDZIVQRKROGNKR-JTQLQIEISA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCSc2ccccc21	ZINC000846545855	632734514	/nfs/dbraw/zinc/73/45/14/632734514.db2.gz	JAOGYYAFKROVNM-ZYHUDNBSSA-N	-1	0	263.362	2.888	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1F	ZINC000846551277	632738409	/nfs/dbraw/zinc/73/84/09/632738409.db2.gz	RIUJWAIDPCHKKR-JTQLQIEISA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc2c(c1)CCC2	ZINC000846550637	632738501	/nfs/dbraw/zinc/73/85/01/632738501.db2.gz	PNLQUBIJJUVDHQ-NEPJUHHUSA-N	-1	0	275.348	2.565	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CC(=O)C1	ZINC000846552409	632739541	/nfs/dbraw/zinc/73/95/41/632739541.db2.gz	HBVJMLQORUERBW-JTQLQIEISA-N	-1	0	293.750	2.563	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](OC(C)C)c1ccccc1	ZINC000846553135	632740637	/nfs/dbraw/zinc/74/06/37/632740637.db2.gz	YFVLNISRAPQIFQ-GXTWGEPZSA-N	-1	0	263.337	2.775	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@H]2CCCSC2)cc1	ZINC000848413615	633252286	/nfs/dbraw/zinc/25/22/86/633252286.db2.gz	ACQGENJDXODVOJ-GFCCVEGCSA-N	-1	0	278.377	2.855	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415489	633253289	/nfs/dbraw/zinc/25/32/89/633253289.db2.gz	MQTXBLVKLKTJCJ-CYBMUJFWSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CCC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCOCC1	ZINC000848415181	633253325	/nfs/dbraw/zinc/25/33/25/633253325.db2.gz	YEEJHEBONMOGJG-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(F)c(F)c1	ZINC000848414749	633253480	/nfs/dbraw/zinc/25/34/80/633253480.db2.gz	BZYTWQFXLPWYMN-GXSJLCMTSA-N	-1	0	296.317	2.931	20	30		CFEDRM
CC(CC1CCOCC1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414771	633253482	/nfs/dbraw/zinc/25/34/82/633253482.db2.gz	CRQTVPMOYZBSJB-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848451433	633261304	/nfs/dbraw/zinc/26/13/04/633261304.db2.gz	IMLNXXNZRWMMCQ-SDDRHHMPSA-N	-1	0	267.369	2.594	20	30		CFEDRM
N#Cc1c(Cl)nsc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000852909867	634860000	/nfs/dbraw/zinc/86/00/00/634860000.db2.gz	CVRHYKNEQISRQI-QMMMGPOBSA-N	-1	0	299.783	2.749	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc(O)cc1[O-]	ZINC000848639794	633305702	/nfs/dbraw/zinc/30/57/02/633305702.db2.gz	DPMQTNDLZGIZPT-QPJJXVBHSA-N	-1	0	284.315	2.527	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1ccccc1[O-]	ZINC000848640871	633306922	/nfs/dbraw/zinc/30/69/22/633306922.db2.gz	VXGLNTHQGFDASE-HJWRWDBZSA-N	-1	0	268.316	2.821	20	30		CFEDRM
CO[C@H](C/N=C\c1cc(Cl)ccc1O)[C@H]1CCOC1	ZINC000849170798	633578144	/nfs/dbraw/zinc/57/81/44/633578144.db2.gz	UMUIQZNNDBHFCG-RBNUIKKBSA-N	-1	0	283.755	2.516	20	30		CFEDRM
C[C@@H]1CCC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000849171863	633578758	/nfs/dbraw/zinc/57/87/58/633578758.db2.gz	HPIYNZFIUBMKPM-FDAGFBAHSA-N	-1	0	278.308	2.677	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(O)cc1	ZINC000849240139	633588049	/nfs/dbraw/zinc/58/80/49/633588049.db2.gz	GPYHBOBRKRMSTG-HJWRWDBZSA-N	-1	0	268.316	2.899	20	30		CFEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1ccc(O)cc1[O-]	ZINC000849247071	633589757	/nfs/dbraw/zinc/58/97/57/633589757.db2.gz	PFLCKNKAMDQCOM-ZZXKWVIFSA-N	-1	0	284.315	2.600	20	30		CFEDRM
Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000108658552	633639245	/nfs/dbraw/zinc/63/92/45/633639245.db2.gz	ROXFMSZTEUDTEV-KXPUMZMLSA-N	-1	0	284.311	2.532	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21	ZINC000850898482	634127499	/nfs/dbraw/zinc/12/74/99/634127499.db2.gz	HLXPAJXXHDQTNZ-RQJABVFESA-N	-1	0	299.374	2.528	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C2CC2)CC1	ZINC000850899918	634128707	/nfs/dbraw/zinc/12/87/07/634128707.db2.gz	XOUSUKDGSKYSLF-JXQTWKCFSA-N	-1	0	299.374	2.528	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CC2(C1)CCCCC2	ZINC000850898767	634128719	/nfs/dbraw/zinc/12/87/19/634128719.db2.gz	KOMGKCOYZKAYNW-ZDUSSCGKSA-N	-1	0	299.374	2.672	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC2SCCS2)c1	ZINC000852998835	634871709	/nfs/dbraw/zinc/87/17/09/634871709.db2.gz	RYASHZNZPUNQMW-MDWZMJQESA-N	-1	0	298.389	2.916	20	30		CFEDRM
CC1(C)OCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000852998921	634871737	/nfs/dbraw/zinc/87/17/37/634871737.db2.gz	UEYIHMRGWCHOHS-UXYFDLPDSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000853252842	634952099	/nfs/dbraw/zinc/95/20/99/634952099.db2.gz	VAQIKAWQARMRAD-CQSZACIVSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@@H]1COCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000853257974	634953221	/nfs/dbraw/zinc/95/32/21/634953221.db2.gz	GSDRGSLLMHPYJV-MRVPVSSYSA-N	-1	0	282.727	2.863	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2Cc2ccccn2)n1	ZINC000853254429	634953250	/nfs/dbraw/zinc/95/32/50/634953250.db2.gz	VAIGJURKDRCDKR-LBPRGKRZSA-N	-1	0	297.362	2.696	20	30		CFEDRM
COC1(C(C)N=Nc2ccc(C(=O)[O-])cc2)CCC1	ZINC000853254623	634953323	/nfs/dbraw/zinc/95/33/23/634953323.db2.gz	ZQJXLCUCCZFFAO-UHFFFAOYSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC(C)(C)CCNN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853332676	634972063	/nfs/dbraw/zinc/97/20/63/634972063.db2.gz	NQFYZTIEKCLYRG-UHFFFAOYSA-N	-1	0	266.316	2.884	20	30		CFEDRM
CC[C@H]1COCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000853370174	634985010	/nfs/dbraw/zinc/98/50/10/634985010.db2.gz	FTDOXOJIALPZTG-JTQLQIEISA-N	-1	0	262.309	2.518	20	30		CFEDRM
CCCn1nccc1C=NNc1cccc(C(=O)[O-])c1C	ZINC000853369932	634985296	/nfs/dbraw/zinc/98/52/96/634985296.db2.gz	BBJQJDMUNKGACN-UHFFFAOYSA-N	-1	0	286.335	2.746	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NN2CCCC[C@@H]2C)c1)C(=O)[O-]	ZINC000853378986	634986603	/nfs/dbraw/zinc/98/66/03/634986603.db2.gz	BHOKEBLMFIDICF-QWHCGFSZSA-N	-1	0	290.363	2.747	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cc(C(=O)[O-])cs1	ZINC000853378804	634986677	/nfs/dbraw/zinc/98/66/77/634986677.db2.gz	CVFGRSBDWRMMEP-SECBINFHSA-N	-1	0	252.339	2.655	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000853378260	634986694	/nfs/dbraw/zinc/98/66/94/634986694.db2.gz	AZWHKGOURTXNLS-JTQLQIEISA-N	-1	0	263.297	2.509	20	30		CFEDRM
CC(=NN1CCCC[C@@H]1C)c1ccc(CC(=O)[O-])cc1	ZINC000853379554	634987518	/nfs/dbraw/zinc/98/75/18/634987518.db2.gz	IYPDJFWPFZOKLB-LBPRGKRZSA-N	-1	0	274.364	2.912	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NN2CCCC[C@@H]2C)cc1)C(=O)[O-]	ZINC000853382275	634989117	/nfs/dbraw/zinc/98/91/17/634989117.db2.gz	WRAYJLIOKUPUKE-QWHCGFSZSA-N	-1	0	290.363	2.747	20	30		CFEDRM
CC(=NOCC1CCC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000853441444	635001572	/nfs/dbraw/zinc/00/15/72/635001572.db2.gz	VASMVJRKELSOHN-UHFFFAOYSA-N	-1	0	276.336	2.937	20	30		CFEDRM
C=CCCCCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000854452586	635309165	/nfs/dbraw/zinc/30/91/65/635309165.db2.gz	ZGRHHFNSOARNAU-UHFFFAOYSA-N	-1	0	289.335	2.795	20	30		CFEDRM
C#C[C@@](C)(CC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000854697767	635370506	/nfs/dbraw/zinc/37/05/06/635370506.db2.gz	KUXJOSGTLCSSMQ-AWEZNQCLSA-N	-1	0	274.345	2.648	20	30		CFEDRM
C#C[C@](C)(CC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000854699787	635372277	/nfs/dbraw/zinc/37/22/77/635372277.db2.gz	GBSZIYMNDFACJZ-CYBMUJFWSA-N	-1	0	251.713	2.577	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855027169	635445157	/nfs/dbraw/zinc/44/51/57/635445157.db2.gz	CGIXILYQAUZSHH-YPMHNXCESA-N	-1	0	297.395	2.757	20	30		CFEDRM
C=CCC1(NC(=O)c2cccc(Cl)c2[O-])CCOCC1	ZINC000855686332	635617225	/nfs/dbraw/zinc/61/72/25/635617225.db2.gz	FCYBINNICDJDRM-UHFFFAOYSA-N	-1	0	295.766	2.901	20	30		CFEDRM
C=CCCO[N-]C(=O)Cn1c(C)cc2ccccc21	ZINC000856029416	635704387	/nfs/dbraw/zinc/70/43/87/635704387.db2.gz	MKQXLCKXUVTTGL-UHFFFAOYSA-N	-1	0	258.321	2.574	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cccc(C(C)C)c1	ZINC000856029833	635705422	/nfs/dbraw/zinc/70/54/22/635705422.db2.gz	FTRZOLLWUWUODZ-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cc(C)cc(C)c2)CC1	ZINC000856030314	635705464	/nfs/dbraw/zinc/70/54/64/635705464.db2.gz	CFOCCJWUYJDSDT-UHFFFAOYSA-N	-1	0	259.349	2.959	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cc(Cl)ccc1Cl	ZINC000856029605	635705740	/nfs/dbraw/zinc/70/57/40/635705740.db2.gz	WEYZKALZGWNXCE-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	ZINC000856030116	635705750	/nfs/dbraw/zinc/70/57/50/635705750.db2.gz	PMIVQNBBEDFHQE-GFCCVEGCSA-N	-1	0	275.348	2.567	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@H]2CC2(F)F)c1	ZINC000856717055	635838843	/nfs/dbraw/zinc/83/88/43/635838843.db2.gz	BQHNOQQJZUEKSC-HXBVQPGFSA-N	-1	0	270.235	2.765	20	30		CFEDRM
CCCC[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)C(C)C	ZINC000857013275	635905486	/nfs/dbraw/zinc/90/54/86/635905486.db2.gz	LQYYQXDXMXONKJ-QWHCGFSZSA-N	-1	0	289.379	2.774	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494352	650268852	/nfs/dbraw/zinc/26/88/52/650268852.db2.gz	LAOBAWOMHVJWLU-XVKPBYJWSA-N	-1	0	273.741	2.641	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048511527	650269347	/nfs/dbraw/zinc/26/93/47/650269347.db2.gz	OLTCIWGLJBQGGX-JTQLQIEISA-N	-1	0	255.339	2.686	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(C)c1)C1CC1	ZINC000048512246	650269531	/nfs/dbraw/zinc/26/95/31/650269531.db2.gz	HYZDSXDSMMPBIT-PKNBQFBNSA-N	-1	0	279.361	2.997	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1	ZINC000048519505	650269858	/nfs/dbraw/zinc/26/98/58/650269858.db2.gz	WHCXENPFLBEJGI-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518372	650270077	/nfs/dbraw/zinc/27/00/77/650270077.db2.gz	WUTFPRUWBCCNAH-DDXVTDLHSA-N	-1	0	285.390	2.695	20	30		CFEDRM
CCC(C#N)(CC)C(=O)[N-]OCc1ccc(F)cc1	ZINC000860804452	636976543	/nfs/dbraw/zinc/97/65/43/636976543.db2.gz	CXWRCIOTFWVCPW-UHFFFAOYSA-N	-1	0	264.300	2.703	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)OCc1ccc(C)cc1	ZINC000862133334	637278619	/nfs/dbraw/zinc/27/86/19/637278619.db2.gz	YAYKUHVPQZDSBT-STQMWFEESA-N	-1	0	263.337	2.522	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1	ZINC000119000142	637450534	/nfs/dbraw/zinc/45/05/34/637450534.db2.gz	AEVYNMVLMZFBHY-GQCTYLIASA-N	-1	0	259.217	2.790	20	30		CFEDRM
CC(=NNCC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000863139462	637569325	/nfs/dbraw/zinc/56/93/25/637569325.db2.gz	GRSWABFLKCEKFG-UHFFFAOYSA-N	-1	0	291.178	2.784	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1	ZINC000864136298	637889814	/nfs/dbraw/zinc/88/98/14/637889814.db2.gz	WHUMDQCFSSEOKT-HUUCEWRRSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000864159834	637897121	/nfs/dbraw/zinc/89/71/21/637897121.db2.gz	AZAGQOYWBZTSTQ-SOFGYWHQSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CCCCCC1)C(=O)[O-]	ZINC000864182810	637906405	/nfs/dbraw/zinc/90/64/05/637906405.db2.gz	DUOIOKZOMJMLLL-NSHDSACASA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000864185059	637907680	/nfs/dbraw/zinc/90/76/80/637907680.db2.gz	SFTQUKZFCYDDJY-ZWNOBZJWSA-N	-1	0	295.766	2.577	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C(C)=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000864186945	637908275	/nfs/dbraw/zinc/90/82/75/637908275.db2.gz	AGWQLBKJIOGDFU-RBJHHQRMSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)C(=O)[O-]	ZINC000864186802	637908438	/nfs/dbraw/zinc/90/84/38/637908438.db2.gz	XYDAZZRZRPHPIC-SRVKXCTJSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccccc1CC)C(=O)[O-]	ZINC000864186499	637908560	/nfs/dbraw/zinc/90/85/60/637908560.db2.gz	QXJUPUABPKEXDN-CYBMUJFWSA-N	-1	0	295.766	2.504	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)c1ccc(F)cc1)C(=O)[O-]	ZINC000864187829	637909135	/nfs/dbraw/zinc/90/91/35/637909135.db2.gz	PGVAWHKXGYMJAR-MARXPDLDSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000864188743	637909147	/nfs/dbraw/zinc/90/91/47/637909147.db2.gz	KGXFKUUQHXUESN-SRVKXCTJSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)c1cccs1)C(=O)[O-]	ZINC000864188245	637909317	/nfs/dbraw/zinc/90/93/17/637909317.db2.gz	RLBQOWQOAFPNQF-RJCSOLBVSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)c1cccs1)C(=O)[O-]	ZINC000864188244	637909770	/nfs/dbraw/zinc/90/97/70/637909770.db2.gz	RLBQOWQOAFPNQF-IEHMKBBKSA-N	-1	0	279.361	2.687	20	30		CFEDRM
CO[C@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000864345996	637947026	/nfs/dbraw/zinc/94/70/26/637947026.db2.gz	LQNOCQLYZNCKTF-QUBKSSLLSA-N	-1	0	284.699	2.550	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000865214420	638225282	/nfs/dbraw/zinc/22/52/82/638225282.db2.gz	SLVNMUQAFKXVAF-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-]	ZINC000865214428	638225327	/nfs/dbraw/zinc/22/53/27/638225327.db2.gz	SLVNMUQAFKXVAF-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccnc3ccccc32)CC1	ZINC000868764720	638976503	/nfs/dbraw/zinc/97/65/03/638976503.db2.gz	YLOUFTRDJVIHJZ-UHFFFAOYSA-N	-1	0	268.316	2.500	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2nccc3ccccc32)CC1	ZINC000869154126	639050643	/nfs/dbraw/zinc/05/06/43/639050643.db2.gz	MWHNWYLJUHYQIZ-GFCCVEGCSA-N	-1	0	282.343	2.889	20	30		CFEDRM
C[C@H]1CCCC[C@H]1OCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692739	639774788	/nfs/dbraw/zinc/77/47/88/639774788.db2.gz	MFQBDLGCQIGOPF-SWLSCSKDSA-N	-1	0	288.347	2.564	20	30		CFEDRM
CCO[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCC1	ZINC000870693727	639775238	/nfs/dbraw/zinc/77/52/38/639775238.db2.gz	SBRWIPJLWDFHRO-HNNXBMFYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCCCC)CC1	ZINC000870831327	641091974	/nfs/dbraw/zinc/09/19/74/641091974.db2.gz	WXSSYFHUJLRGCD-UHFFFAOYSA-N	-1	0	273.398	2.512	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1sccc1C	ZINC000193367819	650647535	/nfs/dbraw/zinc/64/75/35/650647535.db2.gz	OFGVKCDGZFORJA-LLVKDONJSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(F)c1	ZINC000193372681	650647563	/nfs/dbraw/zinc/64/75/63/650647563.db2.gz	JSIACULEQQKSIU-LLVKDONJSA-N	-1	0	294.301	2.594	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)s1	ZINC000193371511	650647590	/nfs/dbraw/zinc/64/75/90/650647590.db2.gz	BFGYNBHXDVNZGR-LBPRGKRZSA-N	-1	0	292.404	2.994	20	30		CFEDRM
CCCc1c(C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871955843	641528317	/nfs/dbraw/zinc/52/83/17/641528317.db2.gz	ZHTKKWRJDUEZAC-JTQLQIEISA-N	-1	0	276.727	2.745	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCOC3(CCCC3)C2)nc1	ZINC000872360420	641767960	/nfs/dbraw/zinc/76/79/60/641767960.db2.gz	LRVGOWWFABWFCK-UHFFFAOYSA-N	-1	0	289.335	2.671	20	30		CFEDRM
O=C([O-])c1cccc2c1C(=NO[C@H]1CCCCO1)CC2	ZINC000872360978	641768534	/nfs/dbraw/zinc/76/85/34/641768534.db2.gz	XPUOYCZZISUWPQ-ZDUSSCGKSA-N	-1	0	275.304	2.578	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@H]2F)cc1	ZINC000872386946	641785413	/nfs/dbraw/zinc/78/54/13/641785413.db2.gz	JKQOASYGBHWQPF-LLVKDONJSA-N	-1	0	250.273	2.604	20	30		CFEDRM
C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)CC[C@H]1C(=O)[O-]	ZINC000872407035	641795894	/nfs/dbraw/zinc/79/58/94/641795894.db2.gz	OODYYRFFVAUPMP-JFGNBEQYSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC[C@H]1CCCC1(F)F	ZINC000872407419	641797367	/nfs/dbraw/zinc/79/73/67/641797367.db2.gz	SRYOGEVMDNJDHK-GMTAPVOTSA-N	-1	0	288.338	2.888	20	30		CFEDRM
CCCCCCCNC(=O)C[C@@]1(C(=O)[O-])CCSC1	ZINC000872880984	641955329	/nfs/dbraw/zinc/95/53/29/641955329.db2.gz	LGFWRFXUHWNOPQ-AWEZNQCLSA-N	-1	0	287.425	2.671	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000874419601	642381441	/nfs/dbraw/zinc/38/14/41/642381441.db2.gz	BUDWEZYNLOOHDB-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000874866830	642537709	/nfs/dbraw/zinc/53/77/09/642537709.db2.gz	WOVGYDNKYMJFBP-UMSPYCQHSA-N	-1	0	277.751	2.967	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000089982681	650862285	/nfs/dbraw/zinc/86/22/85/650862285.db2.gz	ZSIZILPQBDWPRQ-WTKPLQERSA-N	-1	0	271.313	2.746	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(O)c1	ZINC000091696009	650905848	/nfs/dbraw/zinc/90/58/48/650905848.db2.gz	JZBRNKKPFYQVJH-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(SC)ccc1Cl	ZINC000092461711	650920233	/nfs/dbraw/zinc/92/02/33/650920233.db2.gz	XPADJXKTFZYVAY-UHFFFAOYSA-N	-1	0	299.779	2.775	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(SC)cc1	ZINC000092465805	650920502	/nfs/dbraw/zinc/92/05/02/650920502.db2.gz	QTDFXUWQQRNZGR-UHFFFAOYSA-N	-1	0	280.349	2.513	20	30		CFEDRM
[O-]c1ccc(C=NO[C@@H]2CCCCO2)c(F)c1F	ZINC000884442720	646360236	/nfs/dbraw/zinc/36/02/36/646360236.db2.gz	OIGXXZJIYZEFKM-SNVBAGLBSA-N	-1	0	257.236	2.548	20	30		CFEDRM
CC[C@H](NN=Cc1c(C)cc(C)c(COC)c1C)C(=O)[O-]	ZINC000884470924	646375316	/nfs/dbraw/zinc/37/53/16/646375316.db2.gz	GDEAYEZVFCDIIM-HNNXBMFYSA-N	-1	0	292.379	2.545	20	30		CFEDRM
C#CCC1(NC(=O)c2s[n-]c(=O)c2Cl)CCCCC1	ZINC000886656000	647091972	/nfs/dbraw/zinc/09/19/72/647091972.db2.gz	NORMHHFUWAVSMP-UHFFFAOYSA-N	-1	0	298.795	2.958	20	30		CFEDRM
CC1(C)CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])OC1	ZINC000887268817	647255909	/nfs/dbraw/zinc/25/59/09/647255909.db2.gz	VYDIKDGMNDKYNP-MJOIQJIUSA-N	-1	0	292.335	2.925	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC[C@H]2CCCO2)c1[O-]	ZINC000887269985	647256592	/nfs/dbraw/zinc/25/65/92/647256592.db2.gz	FIBHIFXZPWGIGS-SHLUWWQESA-N	-1	0	298.726	2.942	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CC3(CCC3)CO2)c1	ZINC000887270715	647257698	/nfs/dbraw/zinc/25/76/98/647257698.db2.gz	RZVSOLVZFRECEP-TUTDSIAXSA-N	-1	0	290.319	2.679	20	30		CFEDRM
C=C1CCC(C(=O)NCc2ccc(C(=O)[O-])cc2F)CC1	ZINC000887325378	647271505	/nfs/dbraw/zinc/27/15/05/647271505.db2.gz	NQEZTQJOCVZCNB-UHFFFAOYSA-N	-1	0	291.322	2.887	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000887325656	647272098	/nfs/dbraw/zinc/27/20/98/647272098.db2.gz	WKQVLUCMPOGPKF-UHFFFAOYSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926566465	648535476	/nfs/dbraw/zinc/53/54/76/648535476.db2.gz	BCROLXQDDQHJAD-ZJUUUORDSA-N	-1	0	277.748	2.743	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1	ZINC000119698286	651299649	/nfs/dbraw/zinc/29/96/49/651299649.db2.gz	DJCUWYIINUKXCT-HNNXBMFYSA-N	-1	0	284.359	2.630	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1cc(F)cc(F)c1[O-]	ZINC001243500946	782236603	/nfs/dbraw/zinc/23/66/03/782236603.db2.gz	WVRVUGXNSHWWHD-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1cnc(-c2cc(F)cc(F)c2[O-])c(F)c1	ZINC001243505337	782242102	/nfs/dbraw/zinc/24/21/02/782242102.db2.gz	WXFKHKJRUJMJHQ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243510132	782245525	/nfs/dbraw/zinc/24/55/25/782245525.db2.gz	OYUKALSJFTUPKZ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240841	776763083	/nfs/dbraw/zinc/76/30/83/776763083.db2.gz	YRBZOYUSCRKIOX-PWSUYJOCSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C=CCN(CCC(C)(C)C(=O)[O-])CC(F)(F)F	ZINC000688779304	777842614	/nfs/dbraw/zinc/84/26/14/777842614.db2.gz	FOSAKHBZXCARDB-UHFFFAOYSA-N	-1	0	253.264	2.538	20	30		CFEDRM
CC(C)(C)n1ncc(C#N)c1Nc1ccccc1C(=O)[O-]	ZINC001210968568	770406564	/nfs/dbraw/zinc/40/65/64/770406564.db2.gz	AHAGZGZFMSMLFK-UHFFFAOYSA-N	-1	0	284.319	2.952	20	30		CFEDRM
Cc1nc(Nc2ccccc2C(=O)[O-])c(C#N)cc1C#N	ZINC001210969558	770408142	/nfs/dbraw/zinc/40/81/42/770408142.db2.gz	MLIIFGNKILBTLI-UHFFFAOYSA-N	-1	0	278.271	2.575	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccncc1	ZINC000588386569	770470800	/nfs/dbraw/zinc/47/08/00/770470800.db2.gz	INSLZXHYGOKZLS-RJRFIUFISA-N	-1	0	270.244	2.592	20	30		CFEDRM
N#Cc1ccc([O-])c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1	ZINC001211330426	770486282	/nfs/dbraw/zinc/48/62/82/770486282.db2.gz	UGCYNTPOQOROPX-UHFFFAOYSA-N	-1	0	280.243	2.787	20	30		CFEDRM
C=C[C@@H](CCCCCCC)OCCS(=O)(=O)[O-]	ZINC001224572311	775221516	/nfs/dbraw/zinc/22/15/16/775221516.db2.gz	RRQDNMDIVYDHIH-LBPRGKRZSA-N	-1	0	264.387	2.806	20	30		CFEDRM
CCCCCCC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224568868	775221649	/nfs/dbraw/zinc/22/16/49/775221649.db2.gz	OJAAFDYEFLEFBK-LLVKDONJSA-N	-1	0	252.376	2.640	20	30		CFEDRM
Cc1noc(Nc2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001211615631	775251301	/nfs/dbraw/zinc/25/13/01/775251301.db2.gz	YZUKDOFUQABQBD-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
C=C[C@@H](CCCCCC)OCCCS(=O)(=O)[O-]	ZINC001224897903	775303178	/nfs/dbraw/zinc/30/31/78/775303178.db2.gz	JEEWHDXAUFMFFK-LBPRGKRZSA-N	-1	0	264.387	2.806	20	30		CFEDRM
CCC1=C(Oc2ccc([S-])cc2)C(=O)[C@@H](C)O1	ZINC001225555277	775498549	/nfs/dbraw/zinc/49/85/49/775498549.db2.gz	KZTYZNCBTQEVMT-MRVPVSSYSA-N	-1	0	250.319	2.964	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)ncc2F)C(C)(C)O1	ZINC001225884674	775623752	/nfs/dbraw/zinc/62/37/52/775623752.db2.gz	HWWURAODLNFYHK-YGRLFVJLSA-N	-1	0	282.315	2.602	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CC2CCC1CC2	ZINC001226009035	775665743	/nfs/dbraw/zinc/66/57/43/775665743.db2.gz	QRXBDSIYJFNYKB-KWPJZBAWSA-N	-1	0	262.284	2.755	20	30		CFEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009169	775665937	/nfs/dbraw/zinc/66/59/37/775665937.db2.gz	UDVPLERKSAEJIH-SNVBAGLBSA-N	-1	0	250.273	2.922	20	30		CFEDRM
COc1ccccc1[C@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013373	775668870	/nfs/dbraw/zinc/66/88/70/775668870.db2.gz	MLRROVLHMRKLCV-VIFPVBQESA-N	-1	0	288.278	2.947	20	30		CFEDRM
C=C(C)C(=O)OC[C@H](C)Oc1cccc([S-])c1	ZINC001226017433	775669598	/nfs/dbraw/zinc/66/95/98/775669598.db2.gz	YVVMVJKJRHFPSZ-JTQLQIEISA-N	-1	0	252.335	2.862	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)cc(=O)[n-]2)O1	ZINC001226155891	775719181	/nfs/dbraw/zinc/71/91/81/775719181.db2.gz	HNLSFSSBZCNHIM-NHYWBVRUSA-N	-1	0	278.352	2.772	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccncc2)c1C#N	ZINC001226221225	775740680	/nfs/dbraw/zinc/74/06/80/775740680.db2.gz	JPUIQWYWCQNIHL-JTQLQIEISA-N	-1	0	255.277	2.502	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221180	775741545	/nfs/dbraw/zinc/74/15/45/775741545.db2.gz	IHLSMOILVXOMRK-GFCCVEGCSA-N	-1	0	258.321	2.928	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2nccs2)c1C#N	ZINC001226223362	775742843	/nfs/dbraw/zinc/74/28/43/775742843.db2.gz	OVGRYUKTIOUABL-QMMMGPOBSA-N	-1	0	261.306	2.564	20	30		CFEDRM
Cc1cccc2c1CC[C@H]2Oc1nccc(/C=N/O)n1	ZINC001226253867	775756622	/nfs/dbraw/zinc/75/66/22/775756622.db2.gz	NFAUOVHWJVONBT-IREQLNLFSA-N	-1	0	269.304	2.659	20	30		CFEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1nccc(=O)[n-]1	ZINC001226327044	775780625	/nfs/dbraw/zinc/78/06/25/775780625.db2.gz	PUUHRILHZMORGU-AWEZNQCLSA-N	-1	0	268.316	2.781	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226418900	775813203	/nfs/dbraw/zinc/81/32/03/775813203.db2.gz	DXSNHFNAEKFKIX-SNVBAGLBSA-N	-1	0	252.289	2.591	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc(C)[n-]c(=O)c2F)C(C)(C)O1	ZINC001226422885	775814940	/nfs/dbraw/zinc/81/49/40/775814940.db2.gz	BSHFBEJBSTXFDU-BMIGLBTASA-N	-1	0	296.342	2.911	20	30		CFEDRM
C=C(C)C[C@H](Oc1nc(C)[n-]c(=O)c1F)C(=C)C	ZINC001226424407	775816753	/nfs/dbraw/zinc/81/67/53/775816753.db2.gz	PEEQIAZTJAFSFQ-JTQLQIEISA-N	-1	0	252.289	2.919	20	30		CFEDRM
Cc1nc(O[C@H](CC#N)c2ccccc2)c(F)c(=O)[n-]1	ZINC001226425681	775818772	/nfs/dbraw/zinc/81/87/72/775818772.db2.gz	ZUZFRCUIPJJRGY-LLVKDONJSA-N	-1	0	273.267	2.664	20	30		CFEDRM
C=C[C@H](CC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226780875	775961959	/nfs/dbraw/zinc/96/19/59/775961959.db2.gz	CJOXTRVVLHLWRJ-SSDOTTSWSA-N	-1	0	273.130	2.597	20	30		CFEDRM
N#CC[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226786306	775963388	/nfs/dbraw/zinc/96/33/88/775963388.db2.gz	PGQZSRCJYXJBHU-JTQLQIEISA-N	-1	0	297.343	2.675	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226845179	775988660	/nfs/dbraw/zinc/98/86/60/775988660.db2.gz	BFRZVQKSGGSFSV-VIFPVBQESA-N	-1	0	299.168	2.906	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cnccc21)[C@@H](CC)CCCC	ZINC001226974109	776039935	/nfs/dbraw/zinc/03/99/35/776039935.db2.gz	KIMYXTOPYNZMTB-WFASDCNBSA-N	-1	0	299.374	2.915	20	30		CFEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1cnc[nH]c1=O	ZINC001227050653	776074065	/nfs/dbraw/zinc/07/40/65/776074065.db2.gz	CNHNROPRFAMOFB-AWEZNQCLSA-N	-1	0	268.316	2.781	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111760	776101265	/nfs/dbraw/zinc/10/12/65/776101265.db2.gz	QMMCSFCNPMYKFO-VIFPVBQESA-N	-1	0	254.717	2.571	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227112362	776103971	/nfs/dbraw/zinc/10/39/71/776103971.db2.gz	ZZKHWXVMKHRGOY-VIFPVBQESA-N	-1	0	254.717	2.715	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227270626	776166675	/nfs/dbraw/zinc/16/66/75/776166675.db2.gz	JFZNENHGJDTHIG-GFCCVEGCSA-N	-1	0	280.287	2.697	20	30		CFEDRM
COC(=O)[C@@H](Oc1cc(C#N)ccc1O)c1ccccc1	ZINC001227344943	776180491	/nfs/dbraw/zinc/18/04/91/776180491.db2.gz	HKTQYPUQPGLGON-HNNXBMFYSA-N	-1	0	283.283	2.557	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348646	776181871	/nfs/dbraw/zinc/18/18/71/776181871.db2.gz	CZGQJVOIVVUKPS-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000299812446	776186771	/nfs/dbraw/zinc/18/67/71/776186771.db2.gz	PKSIGRHGOAUKCG-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1c(C)oc2ccccc21	ZINC000124246157	776193594	/nfs/dbraw/zinc/19/35/94/776193594.db2.gz	SVIIHSSZDNGGEN-UHFFFAOYSA-N	-1	0	259.305	2.814	20	30		CFEDRM
CCc1sc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1C	ZINC000124494023	776210580	/nfs/dbraw/zinc/21/05/80/776210580.db2.gz	NGNJPSMVWVZLKN-NSHDSACASA-N	-1	0	290.388	2.564	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=S)nnc2C)C(C)(C)O1	ZINC001227602615	776239977	/nfs/dbraw/zinc/23/99/77/776239977.db2.gz	UHZBVHIBFWCNSN-HZMBPMFUSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227609121	776240782	/nfs/dbraw/zinc/24/07/82/776240782.db2.gz	FZAKRWZNMTUOPT-SSDOTTSWSA-N	-1	0	251.311	2.525	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605686	776240873	/nfs/dbraw/zinc/24/08/73/776240873.db2.gz	LQWRKBHNQORSAF-ZETCQYMHSA-N	-1	0	275.135	2.916	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227611260	776243087	/nfs/dbraw/zinc/24/30/87/776243087.db2.gz	OQFCWKMOJYFUQW-SNVBAGLBSA-N	-1	0	298.327	2.826	20	30		CFEDRM
C=C[C@@H](C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O	ZINC001227635046	776248119	/nfs/dbraw/zinc/24/81/19/776248119.db2.gz	FTQBGYYDNPPHML-SECBINFHSA-N	-1	0	294.328	2.745	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715728	776268916	/nfs/dbraw/zinc/26/89/16/776268916.db2.gz	FSFWZTGOVDVVDC-HTQZYQBOSA-N	-1	0	284.381	2.639	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227786207	776289703	/nfs/dbraw/zinc/28/97/03/776289703.db2.gz	PALRGMXQXGOHIU-LLVKDONJSA-N	-1	0	279.336	2.675	20	30		CFEDRM
C=C[C@@H](CCCCCCC)Oc1nnc(C(=O)OC)[n-]1	ZINC001228311740	776453945	/nfs/dbraw/zinc/45/39/45/776453945.db2.gz	OANZPVCSXZIPBO-NSHDSACASA-N	-1	0	281.356	2.885	20	30		CFEDRM
N#C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1cccc(F)c1	ZINC001228391780	776478724	/nfs/dbraw/zinc/47/87/24/776478724.db2.gz	YAGCNUBKVHTVMY-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]ncc(=O)c1Cl	ZINC001228389663	776479247	/nfs/dbraw/zinc/47/92/47/776479247.db2.gz	DUVBXYZBIVEUNR-VIFPVBQESA-N	-1	0	266.728	2.819	20	30		CFEDRM
C=C[C@H](CCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228436368	776490457	/nfs/dbraw/zinc/49/04/57/776490457.db2.gz	BNCYLHYXQXSEQO-LLVKDONJSA-N	-1	0	276.365	2.685	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228479233	776503723	/nfs/dbraw/zinc/50/37/23/776503723.db2.gz	BUUYBRMDFSJXQH-SECBINFHSA-N	-1	0	254.717	2.797	20	30		CFEDRM
N#C[C@H](Oc1[n-]c(=O)ncc1Cl)c1cccc(F)c1	ZINC001228483758	776505151	/nfs/dbraw/zinc/50/51/51/776505151.db2.gz	XJJRZPVDQPKOMW-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2ccccc21	ZINC001228899478	776649756	/nfs/dbraw/zinc/64/97/56/776649756.db2.gz	XZXNKHWUVDJQIH-CYBMUJFWSA-N	-1	0	252.273	2.725	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCCN(c2ccccc2)C1	ZINC001228902653	776653098	/nfs/dbraw/zinc/65/30/98/776653098.db2.gz	SPXDVRJFJIEDJB-HNNXBMFYSA-N	-1	0	295.342	2.707	20	30		CFEDRM
C=CC[C@H](Oc1[nH]c(=O)[n-]c(=O)c1F)c1ccccc1	ZINC001229124428	776727507	/nfs/dbraw/zinc/72/75/07/776727507.db2.gz	MDWDTVILBGPYLF-JTQLQIEISA-N	-1	0	276.267	2.723	20	30		CFEDRM
C#Cc1cccnc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215458196	776786312	/nfs/dbraw/zinc/78/63/12/776786312.db2.gz	ZMKWUQCPLJXLMM-UHFFFAOYSA-N	-1	0	274.226	2.783	20	30		CFEDRM
C[C@@H](CS)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229352127	776788173	/nfs/dbraw/zinc/78/81/73/776788173.db2.gz	BMDZEJZDEQVVLY-VIFPVBQESA-N	-1	0	298.385	2.784	20	30		CFEDRM
Cc1cc(O)c(CNCc2nc(C#N)cs2)cc1Cl	ZINC001207685294	776802610	/nfs/dbraw/zinc/80/26/10/776802610.db2.gz	OPAFRWGRMRNKCM-UHFFFAOYSA-N	-1	0	293.779	2.972	20	30		CFEDRM
C=C[C@H](CCCCCCC)Oc1ncnc(=O)[n-]1	ZINC001229608585	776856458	/nfs/dbraw/zinc/85/64/58/776856458.db2.gz	CEKAMRQSGPIYGO-LLVKDONJSA-N	-1	0	251.330	2.871	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1ccccc1-c1nn[nH]n1	ZINC001229951089	776923283	/nfs/dbraw/zinc/92/32/83/776923283.db2.gz	PPJJXUZRHHIBRJ-GFCCVEGCSA-N	-1	0	282.347	2.850	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241219	776963109	/nfs/dbraw/zinc/96/31/09/776963109.db2.gz	YJYOSJQWRIUZNZ-MRVPVSSYSA-N	-1	0	257.721	2.744	20	30		CFEDRM
C=C(C)C[C@@H](Oc1nc(Cl)[n-]c(=O)n1)C(=C)C	ZINC001230241059	776963630	/nfs/dbraw/zinc/96/36/30/776963630.db2.gz	STFJBZMCFQPCNQ-MRVPVSSYSA-N	-1	0	255.705	2.520	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241348	776964602	/nfs/dbraw/zinc/96/46/02/776964602.db2.gz	BKTXFEWSPWFKCA-QMMMGPOBSA-N	-1	0	257.721	2.744	20	30		CFEDRM
C=C[C@H](Oc1ncc(C(=O)OC)[n-]1)c1ccccc1	ZINC001230282266	776972726	/nfs/dbraw/zinc/97/27/26/776972726.db2.gz	SXYVAZWOAHGFFK-LBPRGKRZSA-N	-1	0	258.277	2.502	20	30		CFEDRM
C#CC[C@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230666343	777039022	/nfs/dbraw/zinc/03/90/22/777039022.db2.gz	JVDPTMHVENPOFT-VIFPVBQESA-N	-1	0	268.272	2.872	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862721	777077582	/nfs/dbraw/zinc/07/75/82/777077582.db2.gz	SYNVBXJJALXMBW-HZMBPMFUSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C[C@H](CS)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050414	777124831	/nfs/dbraw/zinc/12/48/31/777124831.db2.gz	SNBYNCABPRPLIG-SCSAIBSYSA-N	-1	0	278.164	2.962	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231077259	777134330	/nfs/dbraw/zinc/13/43/30/777134330.db2.gz	UAJXZCIJGCVEST-ZETCQYMHSA-N	-1	0	287.703	2.867	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231262908	777180243	/nfs/dbraw/zinc/18/02/43/777180243.db2.gz	HVRRNKISRPSWFU-NSHDSACASA-N	-1	0	290.319	2.987	20	30		CFEDRM
Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000126616719	777395063	/nfs/dbraw/zinc/39/50/63/777395063.db2.gz	PGIVUMJIQRYVHN-ZDUSSCGKSA-N	-1	0	298.367	2.695	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1	ZINC000126642449	777419213	/nfs/dbraw/zinc/41/92/13/777419213.db2.gz	GYZRWNUNFIMPGA-INIZCTEOSA-N	-1	0	292.338	2.634	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(F)c([O-])c(Br)c2)C1	ZINC001232630679	777625434	/nfs/dbraw/zinc/62/54/34/777625434.db2.gz	UWZMJPQIMODNMD-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
N#CCC1CN(Cc2cc(F)c([O-])c(Br)c2)C1	ZINC001232630828	777625972	/nfs/dbraw/zinc/62/59/72/777625972.db2.gz	ZGZGAHACMMSWAQ-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C=CC[C@@H](C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226781427	777645205	/nfs/dbraw/zinc/64/52/05/777645205.db2.gz	GWKKTILHOQFKOR-ZCFIWIBFSA-N	-1	0	273.130	2.597	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)o1	ZINC000127244067	777938089	/nfs/dbraw/zinc/93/80/89/777938089.db2.gz	XMPSCOVWCZKNGT-AWEZNQCLSA-N	-1	0	288.347	2.668	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1n[n-]c(=O)cc1Cl	ZINC001233591292	778000549	/nfs/dbraw/zinc/00/05/49/778000549.db2.gz	WBPNNBBARPMCJH-SECBINFHSA-N	-1	0	266.728	2.819	20	30		CFEDRM
N#C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1F	ZINC001233588497	778000602	/nfs/dbraw/zinc/00/06/02/778000602.db2.gz	FGKRHBSITZSGPS-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
N#CC1CCC(Oc2cc([O-])cc3occc(=O)c23)CC1	ZINC001233828126	778088680	/nfs/dbraw/zinc/08/86/80/778088680.db2.gz	XVIKXKIZQSUERT-UHFFFAOYSA-N	-1	0	285.299	2.960	20	30		CFEDRM
C#C[C@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835011	778091065	/nfs/dbraw/zinc/09/10/65/778091065.db2.gz	TUDAUQRAZZARPE-LLVKDONJSA-N	-1	0	258.273	2.679	20	30		CFEDRM
C=C[C@H](CCC)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-]	ZINC001228813571	778199154	/nfs/dbraw/zinc/19/91/54/778199154.db2.gz	DEQCATXFBRGEDJ-SECBINFHSA-N	-1	0	295.291	2.821	20	30		CFEDRM
C#CC[C@H](C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911616	778208251	/nfs/dbraw/zinc/20/82/51/778208251.db2.gz	FVCUTKCBJLUGEB-QMMMGPOBSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514449	778240921	/nfs/dbraw/zinc/24/09/21/778240921.db2.gz	VPBAGCONBVOXLA-NSHDSACASA-N	-1	0	267.288	2.717	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234520304	778242707	/nfs/dbraw/zinc/24/27/07/778242707.db2.gz	QCTXWQHFVQWSQP-LLVKDONJSA-N	-1	0	267.288	2.717	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CCCC3)c2c1	ZINC001234529804	778245423	/nfs/dbraw/zinc/24/54/23/778245423.db2.gz	FZUSCNKCXYJYCY-UHFFFAOYSA-N	-1	0	255.277	2.528	20	30		CFEDRM
C#C[C@@H](C)Oc1[n-]c2sccc2c(=O)c1C(=O)OCC	ZINC001234596770	778261472	/nfs/dbraw/zinc/26/14/72/778261472.db2.gz	IWOFPAGTIVQOMR-MRVPVSSYSA-N	-1	0	291.328	2.579	20	30		CFEDRM
CCC#C[C@@H](C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815591	778298864	/nfs/dbraw/zinc/29/88/64/778298864.db2.gz	WTVKOQIQIHGEGB-SNVBAGLBSA-N	-1	0	272.300	2.988	20	30		CFEDRM
COc1cc(C#N)cnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235079621	778373544	/nfs/dbraw/zinc/37/35/44/778373544.db2.gz	ZZHYPHBNBWTDIU-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
COc1nc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1C#N	ZINC001235149552	778397543	/nfs/dbraw/zinc/39/75/43/778397543.db2.gz	PIQIEFRHGFXIEI-RUDMXATFSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cn1	ZINC001235459420	778498567	/nfs/dbraw/zinc/49/85/67/778498567.db2.gz	QOBRVWWLKPSMET-FPYGCLRLSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cnccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235459519	778499107	/nfs/dbraw/zinc/49/91/07/778499107.db2.gz	ULOOEZBOQHLJHX-ZZXKWVIFSA-N	-1	0	250.257	2.718	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235985000	778639333	/nfs/dbraw/zinc/63/93/33/778639333.db2.gz	MZLSHHABQMQLGL-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
COc1ccnc(-c2c(F)cc(F)c([O-])c2F)c1C#N	ZINC001235986223	778640448	/nfs/dbraw/zinc/64/04/48/778640448.db2.gz	UPVBCKIVBIPNQN-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000909118037	778695252	/nfs/dbraw/zinc/69/52/52/778695252.db2.gz	VHFSZZZSZPXVAR-OAHLLOKOSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCS(=O)(=O)[O-]	ZINC001224899747	778739337	/nfs/dbraw/zinc/73/93/37/778739337.db2.gz	QZUMHTHPAYKTTR-RWMBFGLXSA-N	-1	0	276.398	2.662	20	30		CFEDRM
CCc1nc(C#N)cc(-c2c(F)ccc(C)c2[O-])n1	ZINC001236402104	778801970	/nfs/dbraw/zinc/80/19/70/778801970.db2.gz	GUWKJEYMSUEUEH-UHFFFAOYSA-N	-1	0	257.268	2.731	20	30		CFEDRM
COc1cc(C)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1O	ZINC000176393300	779122395	/nfs/dbraw/zinc/12/23/95/779122395.db2.gz	JDEDGPGPQCPJGT-UHFFFAOYSA-N	-1	0	298.298	2.539	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1CN1CCCC[C@@H]1C#N	ZINC001238150181	779263036	/nfs/dbraw/zinc/26/30/36/779263036.db2.gz	VQMYUFKCMAXULP-CQSZACIVSA-N	-1	0	258.321	2.571	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2ncc(Cl)n2C)n1	ZINC001123232582	779364143	/nfs/dbraw/zinc/36/41/43/779364143.db2.gz	BBATXQXOIILYGF-JTQLQIEISA-N	-1	0	288.738	2.521	20	30		CFEDRM
N#Cc1ncc(-c2ccccc2/C=C/C(=O)[O-])cc1F	ZINC001238991588	779435336	/nfs/dbraw/zinc/43/53/36/779435336.db2.gz	VYEAMWBEGRVGET-AATRIKPKSA-N	-1	0	268.247	2.857	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239253638	779485312	/nfs/dbraw/zinc/48/53/12/779485312.db2.gz	ATUYKDSPCSOSLG-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
CCc1nnc(-c2ccc(C(=O)[O-])cc2F)c(C#N)c1CC	ZINC001239255209	779486199	/nfs/dbraw/zinc/48/61/99/779486199.db2.gz	YTAHXFTWSLNEPK-UHFFFAOYSA-N	-1	0	299.305	2.977	20	30		CFEDRM
Cc1nnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1C	ZINC001239333374	779522811	/nfs/dbraw/zinc/52/28/11/779522811.db2.gz	LTYHEAZTIPGCSU-UHFFFAOYSA-N	-1	0	289.241	2.609	20	30		CFEDRM
C#C[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237540469	779695846	/nfs/dbraw/zinc/69/58/46/779695846.db2.gz	YFRJDIIKWCQZCT-SECBINFHSA-N	-1	0	285.174	2.939	20	30		CFEDRM
COc1cc(C#N)nc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240546253	780240557	/nfs/dbraw/zinc/24/05/57/780240557.db2.gz	FOYRUOLLAPBGCQ-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2cc(F)ccc2[O-])n1	ZINC001240693489	780364183	/nfs/dbraw/zinc/36/41/83/780364183.db2.gz	DJZDQIRULNWBCD-UHFFFAOYSA-N	-1	0	275.308	2.890	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cn1	ZINC001240733582	780400963	/nfs/dbraw/zinc/40/09/63/780400963.db2.gz	RSJYQZVUDZSPTQ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(CC#N)cnc1F	ZINC001240735817	780403319	/nfs/dbraw/zinc/40/33/19/780403319.db2.gz	FTSPHBKONBVENI-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccccc1OCC#N	ZINC001240737915	780405003	/nfs/dbraw/zinc/40/50/03/780405003.db2.gz	SFJUEVPNSJSBGB-UHFFFAOYSA-N	-1	0	283.283	2.963	20	30		CFEDRM
COc1cc(-c2ncc(C)cc2/C=N/O)ccc1C(=O)[O-]	ZINC001240742367	780407538	/nfs/dbraw/zinc/40/75/38/780407538.db2.gz	JUZFCILUJZFDCC-CAOOACKPSA-N	-1	0	286.287	2.572	20	30		CFEDRM
COc1cc(-c2nc(C#N)ccc2C)ccc1C(=O)[O-]	ZINC001240742633	780407837	/nfs/dbraw/zinc/40/78/37/780407837.db2.gz	OAWFMUCFOYNFHL-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2cnc3c(C#N)c[nH]c3c2)ccc1C(=O)[O-]	ZINC001240744792	780409730	/nfs/dbraw/zinc/40/97/30/780409730.db2.gz	OACABQSTSSIFKD-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])s2)nc(C)c1C#N	ZINC001240846181	780472497	/nfs/dbraw/zinc/47/24/97/780472497.db2.gz	UCBWUAHHPBXAFL-UHFFFAOYSA-N	-1	0	258.302	2.997	20	30		CFEDRM
N#Cc1ccc2ncc(-c3ccc(CC(=O)[O-])cc3)nc2c1	ZINC001240973946	780562467	/nfs/dbraw/zinc/56/24/67/780562467.db2.gz	ZSBFOGGXDSWQCE-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnc(F)c(C#N)c1	ZINC001241002538	780586357	/nfs/dbraw/zinc/58/63/57/780586357.db2.gz	HAQZYLRSJTVGIU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1c(F)cc([O-])cc1F	ZINC001241118088	780646234	/nfs/dbraw/zinc/64/62/34/780646234.db2.gz	GXLYUTSKGFCPJQ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241184305	780688851	/nfs/dbraw/zinc/68/88/51/780688851.db2.gz	BKGWCTCNQMLKBR-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001241187351	780692589	/nfs/dbraw/zinc/69/25/89/780692589.db2.gz	NGUDRPOFENRLRW-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1	ZINC001241241841	780726351	/nfs/dbraw/zinc/72/63/51/780726351.db2.gz	QKXJMXQTTPBECY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001241244943	780729109	/nfs/dbraw/zinc/72/91/09/780729109.db2.gz	JJQXCXZCNJDEDB-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1cnc(-c2ccc(F)c(C(=O)[O-])c2)c(F)c1	ZINC001241244485	780729159	/nfs/dbraw/zinc/72/91/59/780729159.db2.gz	LYBXOXQJHBKNFW-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
CCc1nc(C#N)cc(-c2c(F)ccc([O-])c2F)n1	ZINC001241290738	780760316	/nfs/dbraw/zinc/76/03/16/780760316.db2.gz	FMEHWOZJSPDERQ-UHFFFAOYSA-N	-1	0	261.231	2.561	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@H](C(=O)[O-])C2)c(Br)c1	ZINC000703129897	780993226	/nfs/dbraw/zinc/99/32/26/780993226.db2.gz	WZMLDHRDXGFOIR-KYZUINATSA-N	-1	0	295.136	2.596	20	30		CFEDRM
CCCCCCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000703718245	781049338	/nfs/dbraw/zinc/04/93/38/781049338.db2.gz	UAQGWSKUTXVBEH-UHFFFAOYSA-N	-1	0	270.373	2.511	20	30		CFEDRM
N#Cc1ccc(-c2cncc(C(=O)[O-])c2)nc1C(F)(F)F	ZINC001241799758	781130424	/nfs/dbraw/zinc/13/04/24/781130424.db2.gz	BHKIAVONBWHEFH-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CCc1ccc(-c2cncc(C(=O)[O-])c2)c(F)c1	ZINC001241801543	781132620	/nfs/dbraw/zinc/13/26/20/781132620.db2.gz	ODOGGYFAYSVABD-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cc2c(cccc2-c2cncc(C(=O)[O-])c2)[nH]1	ZINC001241801851	781133329	/nfs/dbraw/zinc/13/33/29/781133329.db2.gz	DGHUGLOCSFIQML-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241816216	781142011	/nfs/dbraw/zinc/14/20/11/781142011.db2.gz	CXMJGGCBIAKZOO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(-c2cc(C#N)nc(C3CC3)n2)cc1C(=O)[O-]	ZINC001241865701	781158394	/nfs/dbraw/zinc/15/83/94/781158394.db2.gz	QTZFSPNNXBKBER-UHFFFAOYSA-N	-1	0	295.298	2.599	20	30		CFEDRM
CC[C@H](C#N)c1ccc(-c2cnn(CC(=O)[O-])c2)cc1	ZINC001242186051	781317300	/nfs/dbraw/zinc/31/73/00/781317300.db2.gz	YIWMTAMLNFKSSP-LLVKDONJSA-N	-1	0	269.304	2.652	20	30		CFEDRM
N#Cc1cc2nc(-c3cccc(CC(=O)[O-])c3)ccc2[nH]1	ZINC001242261455	781346584	/nfs/dbraw/zinc/34/65/84/781346584.db2.gz	HIFVSIHKZDPYCA-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
Cc1cc(-c2cccc(CC(=O)[O-])c2)ncc1C#N	ZINC001242261824	781347263	/nfs/dbraw/zinc/34/72/63/781347263.db2.gz	NGWSINKJWIZNLP-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1cc(-c2cccc(CC(=O)[O-])c2)nc(C2CC2)n1	ZINC001242264165	781349600	/nfs/dbraw/zinc/34/96/00/781349600.db2.gz	XIHVENKCBZPZFG-UHFFFAOYSA-N	-1	0	279.299	2.520	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])nc2)nc2ccccc12	ZINC001242334624	781404791	/nfs/dbraw/zinc/40/47/91/781404791.db2.gz	OUBZSGRJSOSTTE-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])nc2)cc(C)c1C#N	ZINC001242335467	781406610	/nfs/dbraw/zinc/40/66/10/781406610.db2.gz	GABZERONWFNEBL-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CN(C)/C=N/c1ccc(-c2ccc(C(=O)[O-])nc2)cc1C#N	ZINC001242336491	781407003	/nfs/dbraw/zinc/40/70/03/781407003.db2.gz	BADDCGZLLMTWAT-VXLYETTFSA-N	-1	0	294.314	2.540	20	30		CFEDRM
C/C(=N\C#N)N(C)Cc1ccc(-c2cccc(F)c2[O-])nc1	ZINC001242349830	781420915	/nfs/dbraw/zinc/42/09/15/781420915.db2.gz	UYYCGTHEYLWIQE-RGVLZGJSSA-N	-1	0	298.321	2.925	20	30		CFEDRM
N#Cc1c[nH]c2ccnc(-c3cccc(F)c3[O-])c12	ZINC001242349116	781421824	/nfs/dbraw/zinc/42/18/24/781421824.db2.gz	JMGMMDGJLHPNMD-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cccc(F)c1[O-])CCC2	ZINC001242351027	781423140	/nfs/dbraw/zinc/42/31/40/781423140.db2.gz	NIXKAOVPUWZOGW-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cccc(F)c2[O-])nc1	ZINC001242350683	781423748	/nfs/dbraw/zinc/42/37/48/781423748.db2.gz	RUYCHWBCODUDJG-UHFFFAOYSA-N	-1	0	272.279	2.509	20	30		CFEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2F)ccc1CC#N	ZINC001242379073	781448528	/nfs/dbraw/zinc/44/85/28/781448528.db2.gz	VWOPKURQWYSSGU-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)n1	ZINC001242388684	781457550	/nfs/dbraw/zinc/45/75/50/781457550.db2.gz	ONAOELXOLITWLM-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)nc1	ZINC001242390935	781460315	/nfs/dbraw/zinc/46/03/15/781460315.db2.gz	PKCKJXYQHONMHY-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccccc1C(=O)[O-])CCC2	ZINC001242879087	781818502	/nfs/dbraw/zinc/81/85/02/781818502.db2.gz	NYISVRBPKMUTBB-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccccc1C(=O)[O-]	ZINC001242880570	781819762	/nfs/dbraw/zinc/81/97/62/781819762.db2.gz	GUEQEOSFLXVAES-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C#N)c(C)n1	ZINC001242921479	781843971	/nfs/dbraw/zinc/84/39/71/781843971.db2.gz	PMWROAONYSIUFN-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2ccncn2)oc1CC	ZINC000354463890	529522239	/nfs/dbraw/zinc/52/22/39/529522239.db2.gz	JDTAUGUAQSVWCD-NSHDSACASA-N	-1	0	269.304	2.684	20	30		CFEDRM
Cc1nc(NC[C@H](C(=O)[O-])C2CCC2)c(Cl)cc1C#N	ZINC000595976851	349773578	/nfs/dbraw/zinc/77/35/78/349773578.db2.gz	BKSOZELKTHRZRC-NSHDSACASA-N	-1	0	293.754	2.828	20	30		CFEDRM
N#Cc1cccc(Cl)c1NCC1(C(=O)[O-])CCC1	ZINC000595978585	349774649	/nfs/dbraw/zinc/77/46/49/349774649.db2.gz	ZEKXGCACGPNFOZ-UHFFFAOYSA-N	-1	0	264.712	2.878	20	30		CFEDRM
C=CCCCCCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-]	ZINC000596135030	349803504	/nfs/dbraw/zinc/80/35/04/349803504.db2.gz	RMCNSYONLPYJIE-UHFFFAOYSA-N	-1	0	265.313	2.878	20	30		CFEDRM
CC1(C)C[C@H](CNc2nc(C#N)c(Cl)s2)CCO1	ZINC000596263585	349847302	/nfs/dbraw/zinc/84/73/02/349847302.db2.gz	ICAQQXNCGPKPNJ-MRVPVSSYSA-N	-1	0	285.800	2.707	20	30		CFEDRM
COC[C@@H](CC(C)(C)C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596296362	349855496	/nfs/dbraw/zinc/85/54/96/349855496.db2.gz	IFLJCGRONCXQOV-MRVPVSSYSA-N	-1	0	287.816	2.953	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)C2CC(C(=O)[O-])C2)CCCC1(C)C	ZINC000668320846	539423015	/nfs/dbraw/zinc/42/30/15/539423015.db2.gz	IMICQQSVBKANDM-BPCQOVAHSA-N	-1	0	279.380	2.691	20	30		CFEDRM
N#Cc1cc(F)ccc1S(=O)(=O)NCCC1CCCC1	ZINC000178505198	232381791	/nfs/dbraw/zinc/38/17/91/232381791.db2.gz	MYQVAMIYVDOHLK-UHFFFAOYSA-N	-1	0	296.367	2.556	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000042279824	346363242	/nfs/dbraw/zinc/36/32/42/346363242.db2.gz	VNMBYEVDJAYDRR-UHFFFAOYSA-N	-1	0	271.382	2.509	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)n1	ZINC000075830451	347100721	/nfs/dbraw/zinc/10/07/21/347100721.db2.gz	NEWNBMIJFLOOGK-SECBINFHSA-N	-1	0	288.376	2.962	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](CC(=O)[O-])C2)cc1Cl	ZINC000061845436	346684822	/nfs/dbraw/zinc/68/48/22/346684822.db2.gz	IAHJCSLACASVHI-JTQLQIEISA-N	-1	0	278.739	2.903	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C=CC2CC2)c1	ZINC000076757687	347152107	/nfs/dbraw/zinc/15/21/07/347152107.db2.gz	AIRPEZNHPYMQHK-BQYQJAHWSA-N	-1	0	279.361	2.915	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081284077	347411917	/nfs/dbraw/zinc/41/19/17/347411917.db2.gz	ZYYRFHYHMGYZTA-MRVPVSSYSA-N	-1	0	275.333	2.722	20	30		CFEDRM
CC(C)[C@H](CNc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000087506438	347496073	/nfs/dbraw/zinc/49/60/73/347496073.db2.gz	QKIUQPRFWLHGFQ-NSHDSACASA-N	-1	0	266.728	2.980	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CC(C)C2)c1	ZINC000084844126	347475717	/nfs/dbraw/zinc/47/57/17/347475717.db2.gz	POKFWWXZXZXHMR-UHFFFAOYSA-N	-1	0	281.377	2.995	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc([N+](=O)[O-])c1	ZINC000360267176	129022271	/nfs/dbraw/zinc/02/22/71/129022271.db2.gz	VCBAREPVXKIVDH-XQRVVYSFSA-N	-1	0	295.254	2.730	20	30		CFEDRM
C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000302566052	348374301	/nfs/dbraw/zinc/37/43/01/348374301.db2.gz	ZTSUDZFKEPKQGZ-ZJUUUORDSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1ccc(-c2cc(=NC(=O)CCCCCC#N)[nH][n-]2)o1	ZINC000588723924	348793871	/nfs/dbraw/zinc/79/38/71/348793871.db2.gz	VYTZLTHUDDKGMB-UHFFFAOYSA-N	-1	0	286.335	2.813	20	30		CFEDRM
Cc1csc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C#N	ZINC000585818414	348746169	/nfs/dbraw/zinc/74/61/69/348746169.db2.gz	OKLGDODGQLITFJ-UWVGGRQHSA-N	-1	0	290.344	2.534	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](N=c2[n-]c(-c3ccccc3)no2)C1	ZINC000590711733	348933504	/nfs/dbraw/zinc/93/35/04/348933504.db2.gz	YBOGSSNZVOKFPZ-AAEUAGOBSA-N	-1	0	268.320	2.653	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@@H]2N=c1[n-]c(C2CCC2)no1	ZINC000590700202	348931011	/nfs/dbraw/zinc/93/10/11/348931011.db2.gz	KRZDJEMIEGXFQL-AWEZNQCLSA-N	-1	0	280.331	2.730	20	30		CFEDRM
N#Cc1cc(NC(=O)CC2(CC(=O)[O-])CCC2)ccc1F	ZINC000591531520	349029248	/nfs/dbraw/zinc/02/92/48/349029248.db2.gz	XIBUHCBOLZDTQX-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
CC(C)C[C@@H](CNc1cc(C#N)nc2ccccc21)C(=O)[O-]	ZINC000591687118	349038307	/nfs/dbraw/zinc/03/83/07/349038307.db2.gz	UUKLRXDWORTZFY-LBPRGKRZSA-N	-1	0	297.358	2.687	20	30		CFEDRM
N#Cc1cccc(Cl)c1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000592420300	349117728	/nfs/dbraw/zinc/11/77/28/349117728.db2.gz	APTQDZHSGIYVOE-SCZZXKLOSA-N	-1	0	264.712	2.877	20	30		CFEDRM
C=C(C)CN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000592977073	349179406	/nfs/dbraw/zinc/17/94/06/349179406.db2.gz	YCWWZAIXAZNYBC-UHFFFAOYSA-N	-1	0	264.281	2.614	20	30		CFEDRM
N#CCCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000594375487	349412810	/nfs/dbraw/zinc/41/28/10/349412810.db2.gz	TXQKDXGJLPAUKT-UHFFFAOYSA-N	-1	0	254.236	2.693	20	30		CFEDRM
N#Cc1nc(NC(=O)CCC2CCCCCC2)[n-]c1C#N	ZINC000594420907	349416168	/nfs/dbraw/zinc/41/61/68/349416168.db2.gz	OUUDCAIKRJXDMY-UHFFFAOYSA-N	-1	0	285.351	2.842	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000597996973	350175593	/nfs/dbraw/zinc/17/55/93/350175593.db2.gz	CHAZGKSCECFIFY-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
COc1cc(C(=O)N([C@@H](C)C#N)C2CC2)cc(Cl)c1O	ZINC000598125267	350201911	/nfs/dbraw/zinc/20/19/11/350201911.db2.gz	IFIGHEHIFFIDFN-QMMMGPOBSA-N	-1	0	294.738	2.571	20	30		CFEDRM
C=CCC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1	ZINC000598295870	350228618	/nfs/dbraw/zinc/22/86/18/350228618.db2.gz	JGOJVZHYYXBXBX-UHFFFAOYSA-N	-1	0	290.319	2.919	20	30		CFEDRM
C[C@@H]1C[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000600672564	350594200	/nfs/dbraw/zinc/59/42/00/350594200.db2.gz	OSMLXXAOVUYTDZ-MNOVXSKESA-N	-1	0	261.369	2.998	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000601375997	350728190	/nfs/dbraw/zinc/72/81/90/350728190.db2.gz	WTYSLMKAPHEZRK-UHFFFAOYSA-N	-1	0	262.265	2.595	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)cc2C(F)(F)F)c(=O)c1C	ZINC000601948903	350816234	/nfs/dbraw/zinc/81/62/34/350816234.db2.gz	NJXJIDDRMYQPFG-SSDOTTSWSA-N	-1	0	281.237	2.936	20	30		CFEDRM
Cc1cc(C)c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(C)c1	ZINC000601735357	350769877	/nfs/dbraw/zinc/76/98/77/350769877.db2.gz	AYIYRXPLKSBFPO-UHFFFAOYSA-N	-1	0	294.358	2.758	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(F)c1	ZINC000601985544	350823393	/nfs/dbraw/zinc/82/33/93/350823393.db2.gz	ZWGRKABITQAGLL-CQSZACIVSA-N	-1	0	278.283	2.527	20	30		CFEDRM
C[C@@H]1OCC[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000601923079	350803109	/nfs/dbraw/zinc/80/31/09/350803109.db2.gz	OJXUWZBJYZGFKZ-RYUDHWBXSA-N	-1	0	291.395	2.767	20	30		CFEDRM
C[C@H]1OCC[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000601923076	350803137	/nfs/dbraw/zinc/80/31/37/350803137.db2.gz	OJXUWZBJYZGFKZ-NEPJUHHUSA-N	-1	0	291.395	2.767	20	30		CFEDRM
CCc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000601933186	350806192	/nfs/dbraw/zinc/80/61/92/350806192.db2.gz	CJDGWEHQSKCMPU-CQSZACIVSA-N	-1	0	255.321	2.891	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601933351	350806974	/nfs/dbraw/zinc/80/69/74/350806974.db2.gz	XIWGEWZYBJQNFJ-ZWNOBZJWSA-N	-1	0	253.305	2.697	20	30		CFEDRM
C[C@@H](CC#N)n1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000601935124	350808001	/nfs/dbraw/zinc/80/80/01/350808001.db2.gz	HHLUBMDGVVEQGJ-QMMMGPOBSA-N	-1	0	279.702	2.718	20	30		CFEDRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1CCC#N	ZINC000601942187	350811761	/nfs/dbraw/zinc/81/17/61/350811761.db2.gz	GZXNEHNYONLGLV-LBPRGKRZSA-N	-1	0	286.291	2.546	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000602013804	350831325	/nfs/dbraw/zinc/83/13/25/350831325.db2.gz	ZAIGLGLSCBLYPT-MNOVXSKESA-N	-1	0	287.425	2.690	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(CC#N)c1	ZINC000601995802	350825761	/nfs/dbraw/zinc/82/57/61/350825761.db2.gz	VFRAWAQKLCFZAX-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
N#Cc1cc(F)cc(NC(=O)CC2(C(=O)[O-])CCCC2)c1	ZINC000601996776	350826081	/nfs/dbraw/zinc/82/60/81/350826081.db2.gz	XXZISSRYESBAIN-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCC[C@H]1C#N	ZINC000602978999	351079800	/nfs/dbraw/zinc/07/98/00/351079800.db2.gz	ZTSZYSUFWYDICH-GXSJLCMTSA-N	-1	0	288.376	2.521	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1ccc2ccccc2n1	ZINC000604690860	351222009	/nfs/dbraw/zinc/22/20/09/351222009.db2.gz	IORMJZHBSQXMNH-HNNXBMFYSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C[C@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)C1CCCC1	ZINC000610550562	351581435	/nfs/dbraw/zinc/58/14/35/351581435.db2.gz	VLOSPEFWMWWGQS-NSHDSACASA-N	-1	0	288.395	2.696	20	30		CFEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H](C)c1ccc(C#N)cc1	ZINC000610987186	351628435	/nfs/dbraw/zinc/62/84/35/351628435.db2.gz	VKOYATYBCXOFSL-LLVKDONJSA-N	-1	0	298.346	2.519	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1C	ZINC000614467880	352097205	/nfs/dbraw/zinc/09/72/05/352097205.db2.gz	CSTLLSMLLKBNCQ-CYBMUJFWSA-N	-1	0	290.326	2.767	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000573880087	334973935	/nfs/dbraw/zinc/97/39/35/334973935.db2.gz	ZJDCPMRTKWKOIZ-PWSUYJOCSA-N	-1	0	296.392	2.918	20	30		CFEDRM
N#CC1(c2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)CC1	ZINC000594734850	539926062	/nfs/dbraw/zinc/92/60/62/539926062.db2.gz	FZNKNTOYEYWHTB-UHFFFAOYSA-N	-1	0	290.273	2.596	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1cc([O-])cc(C#N)c1	ZINC000619438455	353023818	/nfs/dbraw/zinc/02/38/18/353023818.db2.gz	USZZDEZAJVUAJP-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1s[n-]c(=O)c1Cl	ZINC000620303001	353148053	/nfs/dbraw/zinc/14/80/53/353148053.db2.gz	FLQRKAKMWAXUAV-OCAPTIKFSA-N	-1	0	284.768	2.825	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1[O-]	ZINC000620305782	353149156	/nfs/dbraw/zinc/14/91/56/353149156.db2.gz	QYXDUJLPXYVIOD-TXEJJXNPSA-N	-1	0	261.296	2.855	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000620328871	353152362	/nfs/dbraw/zinc/15/23/62/353152362.db2.gz	HTJLGNGGOPMZMC-UHFFFAOYSA-N	-1	0	283.711	2.569	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000628490112	354606080	/nfs/dbraw/zinc/60/60/80/354606080.db2.gz	PUMKUEOISTZAMK-MRVPVSSYSA-N	-1	0	285.265	2.848	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000630229670	355030986	/nfs/dbraw/zinc/03/09/86/355030986.db2.gz	VPALSWFVUDRNNN-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630247308	355033139	/nfs/dbraw/zinc/03/31/39/355033139.db2.gz	MTMJPQKPYGHUME-INIZCTEOSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC000630301362	355045768	/nfs/dbraw/zinc/04/57/68/355045768.db2.gz	KNXFOZYYLCUDES-SECBINFHSA-N	-1	0	265.334	2.627	20	30		CFEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000630288149	355037981	/nfs/dbraw/zinc/03/79/81/355037981.db2.gz	ICXWYLFXHJEUHU-UHFFFAOYSA-N	-1	0	273.332	2.851	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000630287566	355038241	/nfs/dbraw/zinc/03/82/41/355038241.db2.gz	ZIFKTPLLXMZFQQ-CRWXNKLISA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CCC1(CNC(=O)c2ccnc(C(=O)[O-])c2)CCCC1	ZINC000630292756	355041099	/nfs/dbraw/zinc/04/10/99/355041099.db2.gz	USFSQCLRMGIRMP-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000630182412	355024333	/nfs/dbraw/zinc/02/43/33/355024333.db2.gz	SUMXZWVKXUOMOU-SNVBAGLBSA-N	-1	0	276.336	2.563	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630181068	355024358	/nfs/dbraw/zinc/02/43/58/355024358.db2.gz	GZOYZHHEBNJLSE-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000630183210	355024631	/nfs/dbraw/zinc/02/46/31/355024631.db2.gz	TVRGXJJVMHHKMV-ZDUSSCGKSA-N	-1	0	279.311	2.537	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630181065	355024647	/nfs/dbraw/zinc/02/46/47/355024647.db2.gz	GZOYZHHEBNJLSE-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630301855	355046813	/nfs/dbraw/zinc/04/68/13/355046813.db2.gz	QQKKXRVZTRQNIY-NSHDSACASA-N	-1	0	277.295	2.705	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000630312935	355048671	/nfs/dbraw/zinc/04/86/71/355048671.db2.gz	CIWYAKOETYMTMW-QWHCGFSZSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000630318186	355049456	/nfs/dbraw/zinc/04/94/56/355049456.db2.gz	FOEQOFAEURNPGU-SSDOTTSWSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000630318952	355049638	/nfs/dbraw/zinc/04/96/38/355049638.db2.gz	OXYCGKJAWWROBG-LBPRGKRZSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630317848	355049675	/nfs/dbraw/zinc/04/96/75/355049675.db2.gz	BPSPRKHEXVOFMZ-ZIAGYGMSSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000630320170	355049956	/nfs/dbraw/zinc/04/99/56/355049956.db2.gz	QFGQCUPVEKHIQN-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCc2sccc21)C(=O)[O-]	ZINC000630320113	355049961	/nfs/dbraw/zinc/04/99/61/355049961.db2.gz	PDNLKERTCGXHTO-NWDGAFQWSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000630319851	355049968	/nfs/dbraw/zinc/04/99/68/355049968.db2.gz	IWWVQXZCOIZNBL-ZIAGYGMSSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-]	ZINC000630319689	355049984	/nfs/dbraw/zinc/04/99/84/355049984.db2.gz	FVNRFBQUFWTGNT-ZDUSSCGKSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000630319849	355049996	/nfs/dbraw/zinc/04/99/96/355049996.db2.gz	IWWVQXZCOIZNBL-KGLIPLIRSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000630319657	355050013	/nfs/dbraw/zinc/05/00/13/355050013.db2.gz	FFSHDQWETRNYJU-ZWNOBZJWSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-]	ZINC000630321703	355050960	/nfs/dbraw/zinc/05/09/60/355050960.db2.gz	LTGFHRCZVOMVRR-OAHLLOKOSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000630320363	355051010	/nfs/dbraw/zinc/05/10/10/355051010.db2.gz	UNTYJGRTWJUTFL-NSHDSACASA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000630326138	355052310	/nfs/dbraw/zinc/05/23/10/355052310.db2.gz	NPBFQHGXYVNURV-AWEZNQCLSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000630551759	355110611	/nfs/dbraw/zinc/11/06/11/355110611.db2.gz	ZMFVQCMAPHXXKX-SNVBAGLBSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)cc1	ZINC000630961443	355231920	/nfs/dbraw/zinc/23/19/20/355231920.db2.gz	XZRQIADBMHQWKC-SMDDNHRTSA-N	-1	0	285.347	2.792	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCCc3cccc(O)c32)cc1[O-]	ZINC000188836574	283124571	/nfs/dbraw/zinc/12/45/71/283124571.db2.gz	ZTXPHRNTUACAQL-UHFFFAOYSA-N	-1	0	294.310	2.562	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)co1	ZINC000633900340	356029065	/nfs/dbraw/zinc/02/90/65/356029065.db2.gz	PHBBXKVCISFFEG-LLVKDONJSA-N	-1	0	287.344	2.898	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1	ZINC000135969011	541274653	/nfs/dbraw/zinc/27/46/53/541274653.db2.gz	ZMUYJLOWTVVWLW-KRWDZBQOSA-N	-1	0	289.375	2.844	20	30		CFEDRM
CC(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1F	ZINC000672115970	541413978	/nfs/dbraw/zinc/41/39/78/541413978.db2.gz	QYIZHZHJTHEPOP-UHFFFAOYSA-N	-1	0	298.273	2.858	20	30		CFEDRM
CC(C)=CCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000446120549	241279540	/nfs/dbraw/zinc/27/95/40/241279540.db2.gz	BHXDKGBIFAZTKW-UHFFFAOYSA-N	-1	0	274.349	2.506	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)ccc1C#N	ZINC000446968288	241343206	/nfs/dbraw/zinc/34/32/06/241343206.db2.gz	WTYKANIFAMUYNS-UHFFFAOYSA-N	-1	0	284.363	2.872	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1	ZINC000016101174	372100053	/nfs/dbraw/zinc/10/00/53/372100053.db2.gz	VNJMNNAFDAQVOR-UHFFFAOYSA-N	-1	0	272.329	2.668	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1	ZINC000042258966	372897331	/nfs/dbraw/zinc/89/73/31/372897331.db2.gz	KQUHXOPITSROKF-UHFFFAOYSA-N	-1	0	279.770	2.847	20	30		CFEDRM
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000050212742	373363746	/nfs/dbraw/zinc/36/37/46/373363746.db2.gz	LEGIJOHJTWDVAA-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1	ZINC000066043841	373909723	/nfs/dbraw/zinc/90/97/23/373909723.db2.gz	XZYGQBUIHVGUQC-UHFFFAOYSA-N	-1	0	288.253	2.989	20	30		CFEDRM
CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C	ZINC000069603941	374079487	/nfs/dbraw/zinc/07/94/87/374079487.db2.gz	PCVIWDQAUOPJBZ-UHFFFAOYSA-N	-1	0	255.339	2.585	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000092546113	375121880	/nfs/dbraw/zinc/12/18/80/375121880.db2.gz	BBTCCLGKOWQZJZ-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
N#Cc1cc(NC(=O)c2cc(-c3ccco3)[nH]n2)ccc1F	ZINC000102879695	375698327	/nfs/dbraw/zinc/69/83/27/375698327.db2.gz	KJOGCPYBEPEMOR-UHFFFAOYSA-N	-1	0	296.261	2.933	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000262916091	190065050	/nfs/dbraw/zinc/06/50/50/190065050.db2.gz	KAVGADVVOTURSI-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000262972203	190065530	/nfs/dbraw/zinc/06/55/30/190065530.db2.gz	SRWXWXWIABIVQM-FZMZJTMJSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000263177389	190066852	/nfs/dbraw/zinc/06/68/52/190066852.db2.gz	WRWANXTZWCMBOH-FZMZJTMJSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@](C)(CC)C(=O)[O-])c1ccccc1	ZINC000263232399	190067581	/nfs/dbraw/zinc/06/75/81/190067581.db2.gz	CMXTTYAECNOPEF-MLGOLLRUSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1	ZINC000263444465	190068530	/nfs/dbraw/zinc/06/85/30/190068530.db2.gz	NBFRGESTCYDYOH-GUYCJALGSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000263466094	190068662	/nfs/dbraw/zinc/06/86/62/190068662.db2.gz	QXIVRZTUTDMROT-HIFRSBDPSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CCC1(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)CCC1	ZINC000263545218	190069136	/nfs/dbraw/zinc/06/91/36/190069136.db2.gz	SXKSBOSPLNTEHU-INIZCTEOSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCC1	ZINC000263551763	190069369	/nfs/dbraw/zinc/06/93/69/190069369.db2.gz	WSMBQJODHALFKN-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000678983031	542105210	/nfs/dbraw/zinc/10/52/10/542105210.db2.gz	OJYJDUKOLXYJIB-UHFFFAOYSA-N	-1	0	265.353	2.516	20	30		CFEDRM
C[C@@H]1C[C@@H](/C([O-])=N/Cc2cn3ccsc3n2)CCC1=O	ZINC000328947933	378442188	/nfs/dbraw/zinc/44/21/88/378442188.db2.gz	VXMDPNYXRXGRSU-ZJUUUORDSA-N	-1	0	291.376	2.858	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C)nc2C2CC2)n1	ZINC000329807301	378499078	/nfs/dbraw/zinc/49/90/78/378499078.db2.gz	AALPJYQKOHQKEZ-NSHDSACASA-N	-1	0	298.371	2.917	20	30		CFEDRM
O=C(N=c1cn[n-]s1)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330203965	378527453	/nfs/dbraw/zinc/52/74/53/378527453.db2.gz	BFDYTNZMPSWANM-SNVBAGLBSA-N	-1	0	296.396	2.746	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCCC[C@H]2C)s[n-]1	ZINC000330495186	378570346	/nfs/dbraw/zinc/57/03/46/378570346.db2.gz	WAJDHADAVCCVLR-NXEZZACHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C[C@@H]1CCC[C@H](NC(=O)c2cc(F)cc3n[nH]nc32)C1	ZINC000330302372	378534243	/nfs/dbraw/zinc/53/42/43/378534243.db2.gz	OISOAYAZJUIYLW-SCZZXKLOSA-N	-1	0	276.315	2.980	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2sccc2C#N)n1	ZINC000158623024	378671896	/nfs/dbraw/zinc/67/18/96/378671896.db2.gz	MYKUXRTYJWUCGW-SECBINFHSA-N	-1	0	273.342	2.875	20	30		CFEDRM
CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000334243811	378972891	/nfs/dbraw/zinc/97/28/91/378972891.db2.gz	PYFHOQCBJWGWET-UHFFFAOYSA-N	-1	0	294.357	2.674	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC(F)(F)C2)[n-]1	ZINC000334266926	379003725	/nfs/dbraw/zinc/00/37/25/379003725.db2.gz	ZLSXIUBATQELMG-SNVBAGLBSA-N	-1	0	296.321	2.522	20	30		CFEDRM
CC1=C(C)C[C@@H](C(=O)N=c2[n-]n(C(C)C)cc2C#N)CC1	ZINC000335393649	379211396	/nfs/dbraw/zinc/21/13/96/379211396.db2.gz	SBHLTWIXFCHVOB-ZDUSSCGKSA-N	-1	0	286.379	2.833	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000172111044	379497040	/nfs/dbraw/zinc/49/70/40/379497040.db2.gz	XXDKDOYAWDWERS-VIFPVBQESA-N	-1	0	269.728	2.965	20	30		CFEDRM
CC1=C(C)C[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000335565792	379521979	/nfs/dbraw/zinc/52/19/79/379521979.db2.gz	QJHWZDNPEQGKAT-LBPRGKRZSA-N	-1	0	284.363	2.656	20	30		CFEDRM
Cc1ccccc1CN(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000335757503	379839182	/nfs/dbraw/zinc/83/91/82/379839182.db2.gz	URWDZCAZOWOESM-UHFFFAOYSA-N	-1	0	280.327	2.845	20	30		CFEDRM
C=C[C@@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000335781601	379878005	/nfs/dbraw/zinc/87/80/05/379878005.db2.gz	MTROZIZWSRROPX-SNVBAGLBSA-N	-1	0	275.377	2.937	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)Nc1ccccc1CC#N	ZINC000335884923	380050592	/nfs/dbraw/zinc/05/05/92/380050592.db2.gz	NYBRHFPXEVUBJB-UHFFFAOYSA-N	-1	0	286.356	2.862	20	30		CFEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000336265223	380302189	/nfs/dbraw/zinc/30/21/89/380302189.db2.gz	AEUPROZOWYMTSY-SREIQFSDSA-N	-1	0	268.675	2.673	20	30		CFEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000336290490	380310252	/nfs/dbraw/zinc/31/02/52/380310252.db2.gz	LQRPLQMVHSTRCO-SREIQFSDSA-N	-1	0	268.675	2.673	20	30		CFEDRM
N#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1	ZINC000336510899	380387317	/nfs/dbraw/zinc/38/73/17/380387317.db2.gz	VNQSGJQYHPFAIZ-LBPRGKRZSA-N	-1	0	288.253	2.665	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000180121778	380622835	/nfs/dbraw/zinc/62/28/35/380622835.db2.gz	ZMJKMTXPGCHUKR-CYBMUJFWSA-N	-1	0	294.301	2.873	20	30		CFEDRM
CC(C)Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cn1	ZINC000180741888	380695169	/nfs/dbraw/zinc/69/51/69/380695169.db2.gz	ILDNKYJRINPBDT-ZZXKWVIFSA-N	-1	0	286.331	2.846	20	30		CFEDRM
C=C(CC)CSc1n[n-]c(=NC[C@H]2CCCO2)s1	ZINC000358563828	380928871	/nfs/dbraw/zinc/92/88/71/380928871.db2.gz	QXVNZQBACMSOAE-SNVBAGLBSA-N	-1	0	285.438	2.609	20	30		CFEDRM
CC(C)(C)CCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000287689312	380908858	/nfs/dbraw/zinc/90/88/58/380908858.db2.gz	TVKTWBMCBDCNMY-UHFFFAOYSA-N	-1	0	273.340	2.698	20	30		CFEDRM
Cc1[nH]nc(NC(=O)c2ccc(C(C)C)cc2[O-])c1C#N	ZINC000287862291	380958802	/nfs/dbraw/zinc/95/88/02/380958802.db2.gz	FMWOUDUQDZEMDC-UHFFFAOYSA-N	-1	0	284.319	2.671	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1ccncn1	ZINC000354053922	381047201	/nfs/dbraw/zinc/04/72/01/381047201.db2.gz	PSZCVLBTYQYRGK-GFCCVEGCSA-N	-1	0	269.304	2.992	20	30		CFEDRM
C=CCCCCNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000354285375	381183658	/nfs/dbraw/zinc/18/36/58/381183658.db2.gz	OLKVKGMLBFUFSM-UHFFFAOYSA-N	-1	0	285.347	2.664	20	30		CFEDRM
N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccncn1	ZINC000354418465	381253371	/nfs/dbraw/zinc/25/33/71/381253371.db2.gz	PFZWQDVUZLVTDH-LBPRGKRZSA-N	-1	0	290.282	2.622	20	30		CFEDRM
C=CCOCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000354388067	381237938	/nfs/dbraw/zinc/23/79/38/381237938.db2.gz	BKTSKTFVNTURIS-UHFFFAOYSA-N	-1	0	276.119	2.840	20	30		CFEDRM
COCc1ncsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000342447699	381337283	/nfs/dbraw/zinc/33/72/83/381337283.db2.gz	MVHOTCBETNAZRL-MRVPVSSYSA-N	-1	0	293.373	2.545	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1NCc1ncccc1O	ZINC000359905380	381669996	/nfs/dbraw/zinc/66/99/96/381669996.db2.gz	UKMFXSGKMMZJCB-UHFFFAOYSA-N	-1	0	294.236	2.685	20	30		CFEDRM
C=CCOc1ccc(CN=c2nc(CC)[n-]s2)cc1	ZINC000343244083	381670638	/nfs/dbraw/zinc/67/06/38/381670638.db2.gz	BXRGGNAYIDKTSM-UHFFFAOYSA-N	-1	0	275.377	2.699	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](c1cccc(Cl)c1)C(C)C	ZINC000291342446	381754103	/nfs/dbraw/zinc/75/41/03/381754103.db2.gz	WBYLCJPFXUILRY-ZDUSSCGKSA-N	-1	0	265.740	2.761	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1ccc(OCC(=O)[O-])cc1	ZINC000349105795	381824184	/nfs/dbraw/zinc/82/41/84/381824184.db2.gz	HJJUVMWGLIRHOM-DAFODLJHSA-N	-1	0	280.283	2.587	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nccc2ccccc21	ZINC000361527981	381839875	/nfs/dbraw/zinc/83/98/75/381839875.db2.gz	UFRFZUKFYDORHP-HNNXBMFYSA-N	-1	0	286.294	2.925	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362194126	381956128	/nfs/dbraw/zinc/95/61/28/381956128.db2.gz	ZVKUONJGYLSKSV-VIFPVBQESA-N	-1	0	294.236	2.622	20	30		CFEDRM
C=CCOc1cccc([N-]S(=O)(=O)c2ccoc2)c1	ZINC000350020783	382002719	/nfs/dbraw/zinc/00/27/19/382002719.db2.gz	WNXZAMWLQAAEBW-UHFFFAOYSA-N	-1	0	279.317	2.645	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(F)c1C#N	ZINC000357170737	382038093	/nfs/dbraw/zinc/03/80/93/382038093.db2.gz	LCRQXLIIXVVKFU-XQRVVYSFSA-N	-1	0	293.257	2.833	20	30		CFEDRM
C=CCC(F)(F)C(=O)[N-]OCc1ccc(F)cc1	ZINC000293643591	382211777	/nfs/dbraw/zinc/21/17/77/382211777.db2.gz	YYWKQANTLWCBGO-UHFFFAOYSA-N	-1	0	259.227	2.585	20	30		CFEDRM
C[C@H](C1CC1)n1cc(Nc2nccc(C#N)c2[N+](=O)[O-])cn1	ZINC000302394265	382245358	/nfs/dbraw/zinc/24/53/58/382245358.db2.gz	ISWDLFQDFIEISX-SECBINFHSA-N	-1	0	298.306	2.773	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)n2)n1	ZINC000420240350	382336869	/nfs/dbraw/zinc/33/68/69/382336869.db2.gz	UJKKOEJYRIBPEK-NSHDSACASA-N	-1	0	271.345	2.953	20	30		CFEDRM
C=CCN=c1[n-]nc(Sc2cc(C(C)C)ncn2)s1	ZINC000346615882	382438027	/nfs/dbraw/zinc/43/80/27/382438027.db2.gz	WXWKBOYFJTYZRP-UHFFFAOYSA-N	-1	0	293.421	2.623	20	30		CFEDRM
CC(C)(CC#N)CN=c1nc(C2CCCC2)[n-]s1	ZINC000420646071	382443717	/nfs/dbraw/zinc/44/37/17/382443717.db2.gz	ZUICQYJXXSPBDH-UHFFFAOYSA-N	-1	0	264.398	2.969	20	30		CFEDRM
C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000188786733	382475946	/nfs/dbraw/zinc/47/59/46/382475946.db2.gz	HKMLRKHNOGRMRJ-LLVKDONJSA-N	-1	0	296.326	2.803	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)[n-]1	ZINC000366639502	382537204	/nfs/dbraw/zinc/53/72/04/382537204.db2.gz	TVAOEFQDCJMYLM-JQWIXIFHSA-N	-1	0	298.346	2.726	20	30		CFEDRM
CCOC1CC(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000189648626	382632172	/nfs/dbraw/zinc/63/21/72/382632172.db2.gz	ZPZAFRJBFQIBQM-MHWRWJLKSA-N	-1	0	292.335	2.925	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000191215586	382695895	/nfs/dbraw/zinc/69/58/95/382695895.db2.gz	XUDLMEKGQGOHHD-STQMWFEESA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C(C)CS(=O)(=O)Nc1ccc(CCC)cc1C(=O)[O-]	ZINC000578183135	382896606	/nfs/dbraw/zinc/89/66/06/382896606.db2.gz	PBHVYABEAZYENY-UHFFFAOYSA-N	-1	0	297.376	2.655	20	30		CFEDRM
CC(C)(C)c1[n-]n(C[C@H]2CCCOC2)c(=O)c1CCC#N	ZINC000536156120	382956017	/nfs/dbraw/zinc/95/60/17/382956017.db2.gz	ZICJKKJKASSTIJ-GFCCVEGCSA-N	-1	0	291.395	2.769	20	30		CFEDRM
Cc1cccc(F)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442800575	382957801	/nfs/dbraw/zinc/95/78/01/382957801.db2.gz	MOAOHESCSVYDCN-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=C(CC)CSc1n[n-]c(=NCC(F)(F)F)s1	ZINC000540212104	382962605	/nfs/dbraw/zinc/96/26/05/382962605.db2.gz	PNLSGNIXNCRNDX-UHFFFAOYSA-N	-1	0	283.344	2.993	20	30		CFEDRM
COc1ccc2occ(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000442542628	382935837	/nfs/dbraw/zinc/93/58/37/382935837.db2.gz	SUZCETVFKJWONG-GFCCVEGCSA-N	-1	0	293.282	2.721	20	30		CFEDRM
CCSc1n[n-]c(=NCc2ccc(C#N)cc2)s1	ZINC000447958839	383033937	/nfs/dbraw/zinc/03/39/37/383033937.db2.gz	KSSNSNQWPNJSAY-UHFFFAOYSA-N	-1	0	276.390	2.556	20	30		CFEDRM
C=CCCCCCNC(=O)N(CC(=O)[O-])[C@@H](C)CC	ZINC000580090682	383077361	/nfs/dbraw/zinc/07/73/61/383077361.db2.gz	GJNVROKPNQPZTG-LBPRGKRZSA-N	-1	0	270.373	2.628	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sccc1C1CC1)C(=O)[O-]	ZINC000448993153	383125550	/nfs/dbraw/zinc/12/55/50/383125550.db2.gz	MLTMHNZZDUPKGW-NSHDSACASA-N	-1	0	279.361	2.775	20	30		CFEDRM
CC(C)c1nc(=N[C@H]2CC[C@@H](CC#N)C2)s[n-]1	ZINC000556251623	383151073	/nfs/dbraw/zinc/15/10/73/383151073.db2.gz	ZYZMMKCNXLYOSM-UWVGGRQHSA-N	-1	0	250.371	2.578	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000562648523	383160798	/nfs/dbraw/zinc/16/07/98/383160798.db2.gz	RBVVXRJSVRMNJD-QWRGUYRKSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=CCN(C)C(=O)[C@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634914542	383401742	/nfs/dbraw/zinc/40/17/42/383401742.db2.gz	XGTMBYHFFHRULY-QGZVFWFLSA-N	-1	0	289.375	2.762	20	30		CFEDRM
C=CCC1(NC(=O)CC(CC)(CC)C(=O)[O-])CCOCC1	ZINC000634928250	383407839	/nfs/dbraw/zinc/40/78/39/383407839.db2.gz	ILGJBMPJSCUZNJ-UHFFFAOYSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000634931597	383409609	/nfs/dbraw/zinc/40/96/09/383409609.db2.gz	GWCBEAFGQZGBFG-RQJABVFESA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CC[C@H]1N(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936356	383411789	/nfs/dbraw/zinc/41/17/89/383411789.db2.gz	GXWFNYKQKKJSBW-FRRDWIJNSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CCC)C(=O)[O-]	ZINC000568061648	383351549	/nfs/dbraw/zinc/35/15/49/383351549.db2.gz	MUICJHYFUALEGR-AWEZNQCLSA-N	-1	0	292.335	2.836	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000634939952	383412856	/nfs/dbraw/zinc/41/28/56/383412856.db2.gz	SLOWSNZCYANHJS-LSDHHAIUSA-N	-1	0	285.343	2.873	20	30		CFEDRM
C=CCC[C@H](NC(=O)CO[C@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000569021976	383462687	/nfs/dbraw/zinc/46/26/87/383462687.db2.gz	PSEXWNNKDUUMOZ-IHRRRGAJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCC(C)(F)F)s1	ZINC000450605822	383477712	/nfs/dbraw/zinc/47/77/12/383477712.db2.gz	BDDVDZBGUHIGSN-UHFFFAOYSA-N	-1	0	265.354	2.695	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000634945772	383416874	/nfs/dbraw/zinc/41/68/74/383416874.db2.gz	ZAQDDHLXRHKIIW-CYBMUJFWSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F	ZINC000427781231	383417166	/nfs/dbraw/zinc/41/71/66/383417166.db2.gz	SCUOHJJTCDTDPO-SNVBAGLBSA-N	-1	0	285.331	2.603	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000635530059	383578692	/nfs/dbraw/zinc/57/86/92/383578692.db2.gz	OICDVFLRCSPFSW-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncs1	ZINC000429675399	383557648	/nfs/dbraw/zinc/55/76/48/383557648.db2.gz	NACHNALTRMULLX-SECBINFHSA-N	-1	0	282.328	2.520	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2cscc2s1	ZINC000528916688	383676004	/nfs/dbraw/zinc/67/60/04/383676004.db2.gz	FOIRTLWBWCDWQP-VIFPVBQESA-N	-1	0	290.369	2.564	20	30		CFEDRM
Cc1nc2ccc(C([O-])=C(C#N)c3ccncn3)cc2s1	ZINC000433198728	383756668	/nfs/dbraw/zinc/75/66/68/383756668.db2.gz	HKCIHNGNIVIZJO-NSHDSACASA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)CC(C)(C)C(=O)[O-]	ZINC000573132158	383879354	/nfs/dbraw/zinc/87/93/54/383879354.db2.gz	KMQACZSBZYFFAP-UHFFFAOYSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1cc(F)cc(Br)c1[O-]	ZINC000436854730	383897865	/nfs/dbraw/zinc/89/78/65/383897865.db2.gz	UBIWXUXVHKHGSN-ZCFIWIBFSA-N	-1	0	288.116	2.598	20	30		CFEDRM
Cn1cc(C(=O)C(C#N)c2ccccn2)c(C2CCC2)n1	ZINC000574181448	384059063	/nfs/dbraw/zinc/05/90/63/384059063.db2.gz	FVSYUZWIEGIYRQ-LBPRGKRZSA-N	-1	0	280.331	2.573	20	30		CFEDRM
C=CCCOCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000643304218	384562645	/nfs/dbraw/zinc/56/26/45/384562645.db2.gz	FBBSBNMKMSPALM-UHFFFAOYSA-N	-1	0	277.320	2.516	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]OCCSC)c1ccccc1	ZINC000280129172	384895599	/nfs/dbraw/zinc/89/55/99/384895599.db2.gz	WKHQHKITMIIFAV-ZDUSSCGKSA-N	-1	0	265.378	2.757	20	30		CFEDRM
N#CC1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCC1	ZINC000270268835	385037329	/nfs/dbraw/zinc/03/73/29/385037329.db2.gz	VXYYYBFDDSQBLU-UHFFFAOYSA-N	-1	0	286.228	2.619	20	30		CFEDRM
C[C@H]1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000570964980	322561855	/nfs/dbraw/zinc/56/18/55/322561855.db2.gz	BXPJVZQXPHUXIR-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)CCCCF	ZINC000288550200	197110799	/nfs/dbraw/zinc/11/07/99/197110799.db2.gz	IVIHBKQJJCGHHN-UHFFFAOYSA-N	-1	0	290.747	2.703	20	30		CFEDRM
CCCCC1CCC(C(=O)N=c2[nH][n-]c(C)c2C#N)CC1	ZINC000357232868	130424155	/nfs/dbraw/zinc/42/41/55/130424155.db2.gz	OPAGYQWFCYJTED-UHFFFAOYSA-N	-1	0	288.395	2.947	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2csc3cc(C)ccc23)c1C#N	ZINC000357240948	130425428	/nfs/dbraw/zinc/42/54/28/130425428.db2.gz	JCMGLBRNGNDLOJ-UHFFFAOYSA-N	-1	0	296.355	2.787	20	30		CFEDRM
N#Cc1cccc(CCN=c2[n-]nc(C(F)(F)F)s2)c1	ZINC000359930753	130565458	/nfs/dbraw/zinc/56/54/58/130565458.db2.gz	FUSIAGIFKJTXMX-UHFFFAOYSA-N	-1	0	298.293	2.505	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000237412408	131028285	/nfs/dbraw/zinc/02/82/85/131028285.db2.gz	AZHBARQEVOMYTI-OFFHKIPUSA-N	-1	0	289.331	2.704	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C)nc2C)n1	ZINC000183118232	393517746	/nfs/dbraw/zinc/51/77/46/393517746.db2.gz	QTPKKYGEMRGAGE-VIFPVBQESA-N	-1	0	261.306	2.546	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cccc(OCCC(=O)[O-])c2)nc1	ZINC000194596287	393707556	/nfs/dbraw/zinc/70/75/56/393707556.db2.gz	CPXCIRCXOPVSNP-GQCTYLIASA-N	-1	0	294.310	2.977	20	30		CFEDRM
C=CCn1c(SCCC2(C#N)CCCCC2)n[n-]c1=N	ZINC000412990568	393777496	/nfs/dbraw/zinc/77/74/96/393777496.db2.gz	ILWULNINOXPADJ-UHFFFAOYSA-N	-1	0	291.424	2.833	20	30		CFEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(COC)s1	ZINC000413585254	393786001	/nfs/dbraw/zinc/78/60/01/393786001.db2.gz	UOLYTLGFOWKTMC-ZDUSSCGKSA-N	-1	0	289.404	2.706	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccc(CC)cn2)s1	ZINC000338511604	393788978	/nfs/dbraw/zinc/78/89/78/393788978.db2.gz	SQFJGBIZTAFHBS-UHFFFAOYSA-N	-1	0	292.433	2.808	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(N(C)CC(=O)[O-])c2c1	ZINC000416398979	393914750	/nfs/dbraw/zinc/91/47/50/393914750.db2.gz	CCZNCXOOTWHHEV-UHFFFAOYSA-N	-1	0	283.331	2.751	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1	ZINC000122895443	393972880	/nfs/dbraw/zinc/97/28/80/393972880.db2.gz	NVUHBUMAHYKLQK-CNOAHFENSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCc1sccc1Cl	ZINC000505654852	394367337	/nfs/dbraw/zinc/36/73/37/394367337.db2.gz	AZLYZNKXSHGRTC-UHFFFAOYSA-N	-1	0	286.813	2.884	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1	ZINC000647373336	395317879	/nfs/dbraw/zinc/31/78/79/395317879.db2.gz	GJZYIGGTQCGULK-LLVKDONJSA-N	-1	0	299.355	2.914	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1C	ZINC000647377582	395320656	/nfs/dbraw/zinc/32/06/56/395320656.db2.gz	WHJRBCDCASVASF-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1	ZINC000647377934	395320893	/nfs/dbraw/zinc/32/08/93/395320893.db2.gz	BMJKQQDUHKHSIU-LLVKDONJSA-N	-1	0	286.360	2.727	20	30		CFEDRM
Cc1cn(C)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379982	395321012	/nfs/dbraw/zinc/32/10/12/395321012.db2.gz	ASNQEXSMFMGKJQ-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1F	ZINC000051637862	397589930	/nfs/dbraw/zinc/58/99/30/397589930.db2.gz	DCFNYDVELHTMCQ-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
N#Cc1ccnc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1	ZINC000356273802	155204615	/nfs/dbraw/zinc/20/46/15/155204615.db2.gz	DOMWIMDFPPJTSO-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccn1	ZINC000356789284	155368198	/nfs/dbraw/zinc/36/81/98/155368198.db2.gz	XUJOTPLYSSFANV-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C=CCCCCCNC(=O)N(C)[C@H](CC(C)C)C(=O)[O-]	ZINC000653530976	413350105	/nfs/dbraw/zinc/35/01/05/413350105.db2.gz	UCDFRLICVCZEFY-CYBMUJFWSA-N	-1	0	284.400	2.874	20	30		CFEDRM
CC[C@@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCC(C)CC1	ZINC000359311889	286736062	/nfs/dbraw/zinc/73/60/62/286736062.db2.gz	BGLKMSTUCLWJNM-ORHYLEIMSA-N	-1	0	288.395	2.505	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1	ZINC000346103627	162317504	/nfs/dbraw/zinc/31/75/04/162317504.db2.gz	KQNSQVFLNNOSSB-UHFFFAOYSA-N	-1	0	296.355	2.628	20	30		CFEDRM
N#Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000347218733	162629311	/nfs/dbraw/zinc/62/93/11/162629311.db2.gz	AUTXJMFLLHJDBA-HNNXBMFYSA-N	-1	0	266.300	2.666	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1ccc(C(=O)[O-])cc1	ZINC000347455562	162694307	/nfs/dbraw/zinc/69/43/07/162694307.db2.gz	XIYXLXYEIOIMBR-DAFODLJHSA-N	-1	0	250.257	2.822	20	30		CFEDRM
CCN=c1[n-]nc(SCc2cccc(C#N)c2F)s1	ZINC000353218811	163319448	/nfs/dbraw/zinc/31/94/48/163319448.db2.gz	LAJPTQDGOHMVEW-UHFFFAOYSA-N	-1	0	294.380	2.695	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@@H](CCCC)C(=O)[O-])cc1	ZINC000035409993	172180515	/nfs/dbraw/zinc/18/05/15/172180515.db2.gz	RRHQIWMLYMGZOT-AWEZNQCLSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCOc1ccccc1C(=O)N[C@@H](CCCC)C(=O)[O-]	ZINC000035409991	172180671	/nfs/dbraw/zinc/18/06/71/172180671.db2.gz	UAWVNUBOHIDORD-ZDUSSCGKSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@H](CCCC)C(=O)[O-])cc1	ZINC000035409994	172180716	/nfs/dbraw/zinc/18/07/16/172180716.db2.gz	RRHQIWMLYMGZOT-CQSZACIVSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000652070127	413810769	/nfs/dbraw/zinc/81/07/69/413810769.db2.gz	JAIAVLZLTFKONJ-ZWNOBZJWSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000655564878	414323828	/nfs/dbraw/zinc/32/38/28/414323828.db2.gz	UCEQCIVCIOTKMP-DZGCQCFKSA-N	-1	0	289.375	2.819	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])n1	ZINC000659166497	414460332	/nfs/dbraw/zinc/46/03/32/414460332.db2.gz	OLSVFALENABNAP-NEPJUHHUSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659229130	414474355	/nfs/dbraw/zinc/47/43/55/414474355.db2.gz	OYSMTRNTEAORLC-KLRUACNBSA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000659244165	414477642	/nfs/dbraw/zinc/47/76/42/414477642.db2.gz	SPCBMEZEQKEXAO-UHFFFAOYSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659408651	414517068	/nfs/dbraw/zinc/51/70/68/414517068.db2.gz	UWDCVQIEHMHJMV-STQMWFEESA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCCC1(CNC(=O)N(C)[C@H](C)C(=O)[O-])CCCC1	ZINC000656588907	414610774	/nfs/dbraw/zinc/61/07/74/414610774.db2.gz	VQUFAIDYDGYDSW-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCNC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000656588377	414610901	/nfs/dbraw/zinc/61/09/01/414610901.db2.gz	KMHAUMQOULZJGC-KGLIPLIRSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000656592803	414612537	/nfs/dbraw/zinc/61/25/37/414612537.db2.gz	FFWFMOPBUFGFGS-AWEZNQCLSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C#Cc1cccc(NC(=O)N(CC(=O)[O-])C2CCCC2)c1	ZINC000040522117	174311039	/nfs/dbraw/zinc/31/10/39/174311039.db2.gz	YEFPDVRXGDSQKM-UHFFFAOYSA-N	-1	0	286.331	2.529	20	30		CFEDRM
Cc1ccc(C#N)c(NCc2ccc(C(=O)[O-])cc2)n1	ZINC000043395208	175035580	/nfs/dbraw/zinc/03/55/80/175035580.db2.gz	FMKGOPOHOYFVAW-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
N#CCSc1cccc(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354466034	227004429	/nfs/dbraw/zinc/00/44/29/227004429.db2.gz	JKTJFGPFOALPCY-CYBMUJFWSA-N	-1	0	294.339	2.582	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2s1	ZINC000353089761	228040044	/nfs/dbraw/zinc/04/00/44/228040044.db2.gz	ZNBLRWXRXYZEJY-NSHDSACASA-N	-1	0	292.323	2.986	20	30		CFEDRM
Cc1ncncc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000353855200	228159535	/nfs/dbraw/zinc/15/95/35/228159535.db2.gz	BIDVAEVGLXPJOP-JTQLQIEISA-N	-1	0	286.360	2.855	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000049417458	260661241	/nfs/dbraw/zinc/66/12/41/260661241.db2.gz	PBWQGRJGZGTAAJ-UHFFFAOYSA-N	-1	0	285.409	2.898	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCC[C@H]3OCC[C@@H]32)c1	ZINC000155082268	261097640	/nfs/dbraw/zinc/09/76/40/261097640.db2.gz	ZYQBKKSKSHMMEL-KDBUPRFSSA-N	-1	0	290.319	2.677	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nc(C#N)ccc2C)c1	ZINC001243176921	782037233	/nfs/dbraw/zinc/03/72/33/782037233.db2.gz	FHHFFKMOMFRONM-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1	ZINC000175121167	261209292	/nfs/dbraw/zinc/20/92/92/261209292.db2.gz	MRKNBUCLJUVHPH-GFCCVEGCSA-N	-1	0	298.346	2.704	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cscn1	ZINC000103329181	261280459	/nfs/dbraw/zinc/28/04/59/261280459.db2.gz	DKSYHGJOFWISBL-SECBINFHSA-N	-1	0	282.328	2.520	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000105754777	261313410	/nfs/dbraw/zinc/31/34/10/261313410.db2.gz	OLQLGMDFGQNXCQ-SECBINFHSA-N	-1	0	295.220	2.887	20	30		CFEDRM
CCOC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000186945358	262117403	/nfs/dbraw/zinc/11/74/03/262117403.db2.gz	UUAVXWKOOQZAGJ-RIYZIHGNSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1cnc(Cl)cn1	ZINC000194819059	262242914	/nfs/dbraw/zinc/24/29/14/262242914.db2.gz	ZKBHOJBAJLSBCF-UHFFFAOYSA-N	-1	0	291.804	2.842	20	30		CFEDRM
C=C(CN=c1[n-]nc(-c2ccon2)s1)c1ccccc1	ZINC000340987135	263315285	/nfs/dbraw/zinc/31/52/85/263315285.db2.gz	ZIPHUNZPCRKRKQ-UHFFFAOYSA-N	-1	0	284.344	2.740	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000341485849	263339088	/nfs/dbraw/zinc/33/90/88/263339088.db2.gz	WEDMTGRGGZYVCQ-SNVBAGLBSA-N	-1	0	282.413	2.635	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc3nc[nH]c3c(C#N)n2)c1	ZINC001243176407	782037749	/nfs/dbraw/zinc/03/77/49/782037749.db2.gz	ALQFRGMFAJDTHT-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](C)C2)s1	ZINC000331266328	264167083	/nfs/dbraw/zinc/16/70/83/264167083.db2.gz	CFUQHZSHGPZZND-NXEZZACHSA-N	-1	0	282.413	2.673	20	30		CFEDRM
C[C@H](C[C@H](C)O)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331250462	264180789	/nfs/dbraw/zinc/18/07/89/264180789.db2.gz	WOJWPVIFYXNUJU-RQJHMYQMSA-N	-1	0	275.707	2.649	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2oc(C)nc2C)n1	ZINC000183118250	264526781	/nfs/dbraw/zinc/52/67/81/264526781.db2.gz	QTPKKYGEMRGAGE-SECBINFHSA-N	-1	0	261.306	2.546	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2ncc(C)o2)s1	ZINC000356186790	266066242	/nfs/dbraw/zinc/06/62/42/266066242.db2.gz	HFFSEYAMXMNKNP-MRVPVSSYSA-N	-1	0	282.394	2.708	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nnc(C)c(C)c2C#N)c1	ZINC001243177797	782038394	/nfs/dbraw/zinc/03/83/94/782038394.db2.gz	NKGHTSUAWKXHJI-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCCC(C)(C)C#N)s1	ZINC000356608507	266148528	/nfs/dbraw/zinc/14/85/28/266148528.db2.gz	KTMULINYKSCHOX-UHFFFAOYSA-N	-1	0	282.438	2.980	20	30		CFEDRM
C=C(C)CS(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1	ZINC000357074836	266242253	/nfs/dbraw/zinc/24/22/53/266242253.db2.gz	NKQZDIUWIMITJT-LLVKDONJSA-N	-1	0	297.376	2.583	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000358001471	266394658	/nfs/dbraw/zinc/39/46/58/266394658.db2.gz	RNUWGZDSWHDIMX-SECBINFHSA-N	-1	0	281.271	2.868	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nc3c(cc2C#N)COCC3)c1	ZINC001243178482	782039965	/nfs/dbraw/zinc/03/99/65/782039965.db2.gz	JZYPCKFQNUWBES-UHFFFAOYSA-N	-1	0	294.310	2.700	20	30		CFEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C#N)o3)nc21	ZINC000429660375	268060194	/nfs/dbraw/zinc/06/01/94/268060194.db2.gz	NNHUROODAWDUJM-NSHDSACASA-N	-1	0	290.282	2.826	20	30		CFEDRM
Cc1ccc(-c2ncnc3[nH]cc(C#N)c32)cc1C(=O)[O-]	ZINC001243193012	782053703	/nfs/dbraw/zinc/05/37/03/782053703.db2.gz	DXPLMJGXSMUDAA-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
C[C@@H](N=c1[n-]c(C2CCC2)no1)c1ccc(C#N)cc1	ZINC000565991278	290339203	/nfs/dbraw/zinc/33/92/03/290339203.db2.gz	MBXKWBFXJZCCTD-SNVBAGLBSA-N	-1	0	268.320	2.804	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccsc2C#N)n1	ZINC000566494155	290394790	/nfs/dbraw/zinc/39/47/90/290394790.db2.gz	LHOPQOKATXCCDK-UHFFFAOYSA-N	-1	0	275.333	2.936	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000262158771	303193055	/nfs/dbraw/zinc/19/30/55/303193055.db2.gz	SIUYTUYFXZTWKG-SNVBAGLBSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(CC#N)cnc1F	ZINC001243205964	782065939	/nfs/dbraw/zinc/06/59/39/782065939.db2.gz	VYGFSOJBTKZYAM-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
C=CCCCCOc1ccc(-c2n[n-]c(=N)o2)cc1	ZINC000571626302	328143052	/nfs/dbraw/zinc/14/30/52/328143052.db2.gz	LBBDCVAQHPMSGF-UHFFFAOYSA-N	-1	0	259.309	2.884	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCc1cccnc1	ZINC000272647267	328200354	/nfs/dbraw/zinc/20/03/54/328200354.db2.gz	OYBRVCJIZGJIBL-CQSZACIVSA-N	-1	0	293.367	2.601	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]nc(C2CC2)s1	ZINC000340938987	328402667	/nfs/dbraw/zinc/40/26/67/328402667.db2.gz	QUVSODKNOUODRB-UHFFFAOYSA-N	-1	0	250.371	2.579	20	30		CFEDRM
CC(=Cc1cccc(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614078	324075051	/nfs/dbraw/zinc/07/50/51/324075051.db2.gz	BKSLVJHJGZHSEU-FLIBITNWSA-N	-1	0	265.316	2.819	20	30		CFEDRM
CC(C)c1occc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000580059054	325002877	/nfs/dbraw/zinc/00/28/77/325002877.db2.gz	QJHZQOQCZKDCMD-UHFFFAOYSA-N	-1	0	284.319	2.549	20	30		CFEDRM
CCc1cnc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000583850179	325314374	/nfs/dbraw/zinc/31/43/74/325314374.db2.gz	ITWPOBRZXMDXOL-VMPITWQZSA-N	-1	0	286.360	2.529	20	30		CFEDRM
C[C@H]1C[C@@H](CC(=O)[N-]S(C)(=O)=O)CC(C)(C)C1	ZINC000067600063	326789607	/nfs/dbraw/zinc/78/96/07/326789607.db2.gz	GRPPBELDCHOOAW-UWVGGRQHSA-N	-1	0	261.387	2.755	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1ccc(F)cc1[O-]	ZINC000386472577	326871762	/nfs/dbraw/zinc/87/17/62/326871762.db2.gz	HKHCMMSHGBCLLF-UHFFFAOYSA-N	-1	0	251.301	2.863	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cc(F)ccc2O)cc1	ZINC000149015978	327032159	/nfs/dbraw/zinc/03/21/59/327032159.db2.gz	LRXAYQWAFVEXGM-UHFFFAOYSA-N	-1	0	270.263	2.850	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000263554246	327080116	/nfs/dbraw/zinc/08/01/16/327080116.db2.gz	YAECFXRDGQJUHQ-JHJVBQTASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000569579541	327201090	/nfs/dbraw/zinc/20/10/90/327201090.db2.gz	YZSGPNUACQBQTJ-UHFFFAOYSA-N	-1	0	298.726	2.992	20	30		CFEDRM
C=CCOc1ccccc1/C=C\c1cc(C(=O)[O-])ncn1	ZINC000536391775	327235465	/nfs/dbraw/zinc/23/54/65/327235465.db2.gz	YYZPJFDVWHWRGR-FPLPWBNLSA-N	-1	0	282.299	2.910	20	30		CFEDRM
CC1CC(C#N)(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1	ZINC000532264166	328711916	/nfs/dbraw/zinc/71/19/16/328711916.db2.gz	RYGLKFQWCPUHPY-UHFFFAOYSA-N	-1	0	298.371	2.505	20	30		CFEDRM
N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc2ccccc2o1	ZINC000041540214	328712045	/nfs/dbraw/zinc/71/20/45/328712045.db2.gz	VLTZJYBAOOVOOH-JTQLQIEISA-N	-1	0	292.298	2.918	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000393746541	329089302	/nfs/dbraw/zinc/08/93/02/329089302.db2.gz	PGGYXTDSLYMDAO-STQMWFEESA-N	-1	0	282.384	2.674	20	30		CFEDRM
CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000181532345	329234204	/nfs/dbraw/zinc/23/42/04/329234204.db2.gz	CZGDOHHUHWCQMK-GFCCVEGCSA-N	-1	0	294.314	2.924	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])[C@H](C)CC	ZINC000398205045	329438181	/nfs/dbraw/zinc/43/81/81/329438181.db2.gz	GXBGMAZKMUFQSS-NWDGAFQWSA-N	-1	0	270.373	2.626	20	30		CFEDRM
N#C[C@H]1CC[C@@H](N=c2[n-]c(-c3cccc(Cl)c3)no2)C1	ZINC000425272068	329653803	/nfs/dbraw/zinc/65/38/03/329653803.db2.gz	JWMVSKFYVPFIMA-JOYOIKCWSA-N	-1	0	288.738	2.916	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)c1ccc(F)cc1)C(=O)[O-]	ZINC000262803743	330032733	/nfs/dbraw/zinc/03/27/33/330032733.db2.gz	CVPCKABRBATAOO-ZIAGYGMSSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(c2cccc(C)c2)CC1)C(=O)[O-]	ZINC000262836185	330035041	/nfs/dbraw/zinc/03/50/41/330035041.db2.gz	GHJUXHHEBRHXDM-CQSZACIVSA-N	-1	0	287.359	2.562	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000262906936	330036660	/nfs/dbraw/zinc/03/66/60/330036660.db2.gz	MUNWKDDTUKITBT-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000262988669	330038129	/nfs/dbraw/zinc/03/81/29/330038129.db2.gz	SEVVPIUSPLTSHT-ZFWWWQNUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000263000392	330038372	/nfs/dbraw/zinc/03/83/72/330038372.db2.gz	WHPSYBIHJJNQBH-NNTXTVRGSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1	ZINC000263193952	330048482	/nfs/dbraw/zinc/04/84/82/330048482.db2.gz	TZMMABPZZIQIFM-OAHLLOKOSA-N	-1	0	289.375	2.935	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)[O-]	ZINC000263201285	330048827	/nfs/dbraw/zinc/04/88/27/330048827.db2.gz	MKDRXLPMUGLCHI-ZDUSSCGKSA-N	-1	0	290.363	2.528	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000263278295	330051552	/nfs/dbraw/zinc/05/15/52/330051552.db2.gz	NWJITUWRLCKAKY-CHWSQXEVSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000263535875	330059194	/nfs/dbraw/zinc/05/91/94/330059194.db2.gz	ONRWWQOPPQPSNB-JTQLQIEISA-N	-1	0	279.311	2.999	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000263554821	330059446	/nfs/dbraw/zinc/05/94/46/330059446.db2.gz	YHUQJXXYWWFUJS-BXKDBHETSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000580467537	330142185	/nfs/dbraw/zinc/14/21/85/330142185.db2.gz	ZXGHSRMZRXVFAT-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
Cc1ccccc1-c1nc(=NCCCC#N)s[n-]1	ZINC000527959636	330300469	/nfs/dbraw/zinc/30/04/69/330300469.db2.gz	MRMYMDLYPWBKGY-UHFFFAOYSA-N	-1	0	258.350	2.651	20	30		CFEDRM
C=CCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000448525995	330599467	/nfs/dbraw/zinc/59/94/67/330599467.db2.gz	WOYQLQRHWZBIOA-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
N#CCC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000437829668	330709609	/nfs/dbraw/zinc/70/96/09/330709609.db2.gz	QQESEOOVYQESHM-UHFFFAOYSA-N	-1	0	282.702	2.608	20	30		CFEDRM
C=CCCCNC(=O)N=c1[n-]nc(CCCCC)s1	ZINC000447919850	330880157	/nfs/dbraw/zinc/88/01/57/330880157.db2.gz	WFKLPQUUMSPDGV-UHFFFAOYSA-N	-1	0	282.413	2.780	20	30		CFEDRM
C=CCC1(CNC(=O)N=c2cc(C)c(C)n[n-]2)CCCC1	ZINC000454815119	331154284	/nfs/dbraw/zinc/15/42/84/331154284.db2.gz	YNRAFMKZYPFZKI-UHFFFAOYSA-N	-1	0	288.395	2.773	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(F)c1[O-])OCC	ZINC000457286322	331218132	/nfs/dbraw/zinc/21/81/32/331218132.db2.gz	FCHJEEABBXYNDX-LLVKDONJSA-N	-1	0	285.290	2.980	20	30		CFEDRM
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1	ZINC000516632090	333042060	/nfs/dbraw/zinc/04/20/60/333042060.db2.gz	ZSRIKTXNGSPLFZ-AWEZNQCLSA-N	-1	0	289.375	2.938	20	30		CFEDRM
C=CCSCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000517152123	333093507	/nfs/dbraw/zinc/09/35/07/333093507.db2.gz	JQSIFKCULCHXFA-UHFFFAOYSA-N	-1	0	296.348	2.933	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000315771007	333383804	/nfs/dbraw/zinc/38/38/04/333383804.db2.gz	JVGZFSAJBMTYFL-UHFFFAOYSA-N	-1	0	266.728	2.715	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000316174726	333385710	/nfs/dbraw/zinc/38/57/10/333385710.db2.gz	SCYPBIIUFQKRDY-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000529476424	333489483	/nfs/dbraw/zinc/48/94/83/333489483.db2.gz	WWEAJCOCLVZGJN-UHFFFAOYSA-N	-1	0	268.263	2.939	20	30		CFEDRM
CC(C)(C#N)CCS(=O)(=O)Nc1cccc(F)c1	ZINC000549718922	334202861	/nfs/dbraw/zinc/20/28/61/334202861.db2.gz	HYJRZLVBJASXOU-UHFFFAOYSA-N	-1	0	270.329	2.507	20	30		CFEDRM
N#CC(=C([O-])c1cnc([C@@H]2CCCO2)s1)c1ccccn1	ZINC000089966710	334354397	/nfs/dbraw/zinc/35/43/97/334354397.db2.gz	UGHDNAFMVWPSID-JQWIXIFHSA-N	-1	0	299.355	2.880	20	30		CFEDRM
CC(C)Cc1nc(=NCc2ccc(CC#N)cc2)s[n-]1	ZINC000568745639	334838759	/nfs/dbraw/zinc/83/87/59/334838759.db2.gz	YHLAVODDFLWQPC-UHFFFAOYSA-N	-1	0	286.404	2.837	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000576530187	335216056	/nfs/dbraw/zinc/21/60/56/335216056.db2.gz	QVJJWXUMVNQROR-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000581884410	336159496	/nfs/dbraw/zinc/15/94/96/336159496.db2.gz	IVRRVDZBKHVGLG-LSDHHAIUSA-N	-1	0	287.359	2.670	20	30		CFEDRM
COc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)ccc1C#N	ZINC001243323481	782137417	/nfs/dbraw/zinc/13/74/17/782137417.db2.gz	WVKWSHNMJPFVIR-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
CC(C)C[C@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232628077	519400520	/nfs/dbraw/zinc/40/05/20/519400520.db2.gz	CVYWBNICSXGJRE-VIFPVBQESA-N	-1	0	267.716	2.518	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000262098251	521982757	/nfs/dbraw/zinc/98/27/57/521982757.db2.gz	IHEHCTPHKKWRGT-UFBFGSQYSA-N	-1	0	250.273	2.609	20	30		CFEDRM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000336034124	524161445	/nfs/dbraw/zinc/16/14/45/524161445.db2.gz	GRSIDKBDBLKMBG-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1F	ZINC000061119803	525290924	/nfs/dbraw/zinc/29/09/24/525290924.db2.gz	XTWCQZFDWGFIPA-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C	ZINC000334318212	525297922	/nfs/dbraw/zinc/29/79/22/525297922.db2.gz	RRJFTTLKZMSHDZ-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000050436652	526005546	/nfs/dbraw/zinc/00/55/46/526005546.db2.gz	SERDDPWTANDVQZ-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)c(C)cn1	ZINC001241000302	782164337	/nfs/dbraw/zinc/16/43/37/782164337.db2.gz	AAEDPYUBCAWMBM-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CC[C@H](CC)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000353176524	527163418	/nfs/dbraw/zinc/16/34/18/527163418.db2.gz	GXGNDNOWLDNNRX-VIFPVBQESA-N	-1	0	275.320	2.598	20	30		CFEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cs1	ZINC000344732148	527203937	/nfs/dbraw/zinc/20/39/37/527203937.db2.gz	RJQPGWIIBHDGQQ-LBPRGKRZSA-N	-1	0	299.355	2.848	20	30		CFEDRM
CC(=O)c1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cs1	ZINC000344732147	527205669	/nfs/dbraw/zinc/20/56/69/527205669.db2.gz	RJQPGWIIBHDGQQ-GFCCVEGCSA-N	-1	0	299.355	2.848	20	30		CFEDRM
CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000334583429	545500027	/nfs/dbraw/zinc/50/00/27/545500027.db2.gz	MYXOLUYUQYMYIE-UHFFFAOYSA-N	-1	0	294.357	2.674	20	30		CFEDRM
C[C@H](NN=Cc1cc(C(=O)[O-])ccc1O)c1ccccc1	ZINC000736663944	574064052	/nfs/dbraw/zinc/06/40/52/574064052.db2.gz	JCUKNPQUUKNBLT-NSHDSACASA-N	-1	0	284.315	2.775	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000738470021	574076420	/nfs/dbraw/zinc/07/64/20/574076420.db2.gz	GXXUTVRXSLYIPV-IHRRRGAJSA-N	-1	0	294.395	2.722	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCC2)c1[O-]	ZINC000730464003	574082447	/nfs/dbraw/zinc/08/24/47/574082447.db2.gz	BNIFZQWYTAOACP-MLPAPPSSSA-N	-1	0	254.673	2.925	20	30		CFEDRM
CCC/C(C)=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736960050	574087913	/nfs/dbraw/zinc/08/79/13/574087913.db2.gz	UQBBJXFEOVFYKN-GDXASINISA-N	-1	0	287.315	2.974	20	30		CFEDRM
CCCC[C@@H](Sc1nc(C)nc(C)c1C#N)C(=O)[O-]	ZINC000736984019	574091511	/nfs/dbraw/zinc/09/15/11/574091511.db2.gz	DPTOFGZRPFCDEE-LLVKDONJSA-N	-1	0	279.365	2.701	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000738491236	574094566	/nfs/dbraw/zinc/09/45/66/574094566.db2.gz	CHUIYJSIEKOULE-UHFFFAOYSA-N	-1	0	297.742	2.670	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738493271	574095212	/nfs/dbraw/zinc/09/52/12/574095212.db2.gz	ZZRGTDPJLNJVLJ-UHFFFAOYSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000738492516	574095365	/nfs/dbraw/zinc/09/53/65/574095365.db2.gz	GKWSXHDMKHVBBW-UHFFFAOYSA-N	-1	0	291.351	2.884	20	30		CFEDRM
C=CCCCN(C)C(=O)NCC1(NC(=O)[O-])CCCCC1	ZINC000738493932	574095656	/nfs/dbraw/zinc/09/56/56/574095656.db2.gz	UDJIWNQSCVZHBO-UHFFFAOYSA-N	-1	0	297.399	2.565	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728438831	574096483	/nfs/dbraw/zinc/09/64/83/574096483.db2.gz	QABFLKRDWLAYPQ-GQCTYLIASA-N	-1	0	260.268	2.767	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000738654548	574098278	/nfs/dbraw/zinc/09/82/78/574098278.db2.gz	ZWLGLTHVWJXXRW-UHFFFAOYSA-N	-1	0	287.319	2.605	20	30		CFEDRM
CCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)s1	ZINC000731155670	574111370	/nfs/dbraw/zinc/11/13/70/574111370.db2.gz	OLSLELRINNDOJQ-UZYOAWRESA-N	-1	0	290.340	2.539	20	30		CFEDRM
CCOc1ccc(C=NOCc2cc(C(=O)[O-])co2)cc1	ZINC000737200743	574118329	/nfs/dbraw/zinc/11/83/29/574118329.db2.gz	UILUINCAPVWEEX-UHFFFAOYSA-N	-1	0	289.287	2.927	20	30		CFEDRM
CCOc1cccc(/C=N/Cc2ccc(C(=O)[O-])o2)c1O	ZINC000737209683	574118668	/nfs/dbraw/zinc/11/86/68/574118668.db2.gz	DAOYWPITARNBEH-LZYBPNLTSA-N	-1	0	289.287	2.701	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc2ccc(C)cc2o1	ZINC000754911967	574128021	/nfs/dbraw/zinc/12/80/21/574128021.db2.gz	PVPYRHIENANKAN-UHFFFAOYSA-N	-1	0	297.318	2.776	20	30		CFEDRM
CN(C(=O)c1sccc1C#N)c1ccccc1C(=O)[O-]	ZINC000737347798	574137397	/nfs/dbraw/zinc/13/73/97/574137397.db2.gz	GJMZVXFHAYAGMP-UHFFFAOYSA-N	-1	0	286.312	2.595	20	30		CFEDRM
Cc1ccc(N=NC(C)c2cccc(OCC(=O)[O-])c2)nc1	ZINC000737538662	574146954	/nfs/dbraw/zinc/14/69/54/574146954.db2.gz	CGEOPDYEJMBECZ-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
CO[C@@]1(C)CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000746563532	574155098	/nfs/dbraw/zinc/15/50/98/574155098.db2.gz	FJLAELXVUREPAX-HNNXBMFYSA-N	-1	0	276.336	2.988	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CCCC2)sc1C(=O)[O-]	ZINC000738233598	574160665	/nfs/dbraw/zinc/16/06/65/574160665.db2.gz	FCLFELLDHROUGL-UHFFFAOYSA-N	-1	0	278.333	2.777	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H]2C[C@@H]2c2ccccc2)n1	ZINC000755463420	574163750	/nfs/dbraw/zinc/16/37/50/574163750.db2.gz	IOSHDFNBSVPOAW-QWHCGFSZSA-N	-1	0	268.320	2.692	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2cccc([N+](=O)[O-])c2)c1	ZINC000755480873	574164732	/nfs/dbraw/zinc/16/47/32/574164732.db2.gz	GIQHDYLNCPNZER-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
CC(C)n1cc(C=NNc2ccccc2C(=O)[O-])cn1	ZINC000732711186	574167001	/nfs/dbraw/zinc/16/70/01/574167001.db2.gz	COBSCBBYGRKRPV-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
C=CCCOC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738493791	574171382	/nfs/dbraw/zinc/17/13/82/574171382.db2.gz	RNHDJBLBRVMACC-NSHDSACASA-N	-1	0	283.711	2.768	20	30		CFEDRM
CC(C)(C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755617578	574171891	/nfs/dbraw/zinc/17/18/91/574171891.db2.gz	PCVFICPQRPGSGD-UHFFFAOYSA-N	-1	0	261.350	2.565	20	30		CFEDRM
CC[C@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755617543	574171979	/nfs/dbraw/zinc/17/19/79/574171979.db2.gz	NMDOJKMGVINTAW-VIFPVBQESA-N	-1	0	261.350	2.565	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNCCCc1ccccc1	ZINC000729146125	574178765	/nfs/dbraw/zinc/17/87/65/574178765.db2.gz	MGGRHJJKGNYDFL-UHFFFAOYSA-N	-1	0	282.343	2.941	20	30		CFEDRM
Cc1ccnc(NN=Cc2cc(C(=O)[O-])cs2)c1	ZINC000755769164	574185583	/nfs/dbraw/zinc/18/55/83/574185583.db2.gz	BOKBWPCYJCRYPZ-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
C[C@@H](CCNc1ccc(Cl)cc1C#N)NC(=O)[O-]	ZINC000738903985	574190246	/nfs/dbraw/zinc/19/02/46/574190246.db2.gz	HZAFWPMBWUJKCJ-QMMMGPOBSA-N	-1	0	267.716	2.670	20	30		CFEDRM
Cc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)s1	ZINC000738932671	574190881	/nfs/dbraw/zinc/19/08/81/574190881.db2.gz	XCUIWRQKSDRRPW-SNVBAGLBSA-N	-1	0	291.357	2.636	20	30		CFEDRM
C[C@H](NN=C1CCC[C@@H]1CNC(=O)[O-])c1ccccc1	ZINC000739040576	574194945	/nfs/dbraw/zinc/19/49/45/574194945.db2.gz	UHYRNQKNGVHIOQ-WCQYABFASA-N	-1	0	275.352	2.761	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CC=CCC2)C(=O)[O-])cc1	ZINC000739110082	574199130	/nfs/dbraw/zinc/19/91/30/574199130.db2.gz	OMTSJMHBKXZMMD-KBPBESRZSA-N	-1	0	285.299	2.583	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000739142305	574199569	/nfs/dbraw/zinc/19/95/69/574199569.db2.gz	KBEKCDAXBOHJTJ-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
N#Cc1cccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c1	ZINC000739131641	574199636	/nfs/dbraw/zinc/19/96/36/574199636.db2.gz	DIECWPUPECGCSW-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1	ZINC000739329212	574208442	/nfs/dbraw/zinc/20/84/42/574208442.db2.gz	HCCWPPHNWNDAFR-ZDUSSCGKSA-N	-1	0	284.400	2.948	20	30		CFEDRM
CN(C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1)C(=O)[O-]	ZINC000739665464	574222333	/nfs/dbraw/zinc/22/23/33/574222333.db2.gz	WLTQYGHHEJONFA-JTQLQIEISA-N	-1	0	293.754	2.648	20	30		CFEDRM
C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000748005438	574224691	/nfs/dbraw/zinc/22/46/91/574224691.db2.gz	KKASLFUHEWNMLC-YPMHNXCESA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NOCc2ccccc2)cc1[O-]	ZINC000748132652	574231257	/nfs/dbraw/zinc/23/12/57/574231257.db2.gz	FDOMVPMTUFPZHR-UHFFFAOYSA-N	-1	0	272.260	2.851	20	30		CFEDRM
C=CCOCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000729890623	574235423	/nfs/dbraw/zinc/23/54/23/574235423.db2.gz	MATVCGRWGUBJJC-CYBMUJFWSA-N	-1	0	296.326	2.571	20	30		CFEDRM
Cc1cc(N=NC2CN(C(=O)[O-])C2)ccc1Br	ZINC000740091422	574235515	/nfs/dbraw/zinc/23/55/15/574235515.db2.gz	OHTIBYUBJYQROH-UHFFFAOYSA-N	-1	0	298.140	2.519	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3cc(O)ccc3C2=O)o1	ZINC000740123843	574237586	/nfs/dbraw/zinc/23/75/86/574237586.db2.gz	OZBVMCQLVQBTDH-CSKARUKUSA-N	-1	0	284.267	2.896	20	30		CFEDRM
C=CCCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000748241227	574242507	/nfs/dbraw/zinc/24/25/07/574242507.db2.gz	ZXMMINTXCWDSNZ-LLVKDONJSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cn1ccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000748284673	574245145	/nfs/dbraw/zinc/24/51/45/574245145.db2.gz	DTUYTGKUNDTQRP-CHHVJCJISA-N	-1	0	293.710	2.911	20	30		CFEDRM
N#Cc1ccc(Nc2ccc3c(c2)CCN3C(=O)[O-])nc1	ZINC000740319563	574247253	/nfs/dbraw/zinc/24/72/53/574247253.db2.gz	VJIOUZSUUWTXLZ-UHFFFAOYSA-N	-1	0	280.287	2.737	20	30		CFEDRM
COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(F)c1	ZINC000748410118	574250919	/nfs/dbraw/zinc/25/09/19/574250919.db2.gz	BSOPFGFBFDYFQV-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
Cc1ccc([C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000748410258	574251053	/nfs/dbraw/zinc/25/10/53/574251053.db2.gz	GCUIJLXJBZFCAQ-JTQLQIEISA-N	-1	0	270.288	2.908	20	30		CFEDRM
O=C([O-])N1CCCC[C@@H](/N=C/c2cc(Cl)ccc2O)C1	ZINC000740520644	574253700	/nfs/dbraw/zinc/25/37/00/574253700.db2.gz	SUUZQASTGHCEDF-GGNJANJASA-N	-1	0	296.754	2.997	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2nc3ccccc3[nH]2)CC1	ZINC000740551815	574255430	/nfs/dbraw/zinc/25/54/30/574255430.db2.gz	WFCDQQRSLDZJMW-UHFFFAOYSA-N	-1	0	287.323	2.541	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccnc3ccccc32)cc1	ZINC000730148336	574256112	/nfs/dbraw/zinc/25/61/12/574256112.db2.gz	QZHMEUXYBURJCO-UHFFFAOYSA-N	-1	0	291.310	2.801	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccc(F)cc1F	ZINC000740620839	574258508	/nfs/dbraw/zinc/25/85/08/574258508.db2.gz	SXJPPEIUAMUJSQ-QMMMGPOBSA-N	-1	0	283.278	2.800	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000756845800	574267803	/nfs/dbraw/zinc/26/78/03/574267803.db2.gz	GVGIGGBITOZANV-OAGGEKHMSA-N	-1	0	297.354	2.534	20	30		CFEDRM
CCc1ccc(C=NNc2ccc(C(=O)[O-])cc2OC)o1	ZINC000756900808	574271312	/nfs/dbraw/zinc/27/13/12/574271312.db2.gz	CFBRWCHIXALEMO-UHFFFAOYSA-N	-1	0	288.303	2.995	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccccc1F	ZINC000756906088	574272208	/nfs/dbraw/zinc/27/22/08/574272208.db2.gz	SXPVTMVDLCGVPI-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cccc(O)c1	ZINC000756901748	574272235	/nfs/dbraw/zinc/27/22/35/574272235.db2.gz	ZPHIWUIGTQHBTG-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CCC(CC)NN=C1c2cc(C)cc(F)c2NC1=O	ZINC000734364807	574283975	/nfs/dbraw/zinc/28/39/75/574283975.db2.gz	GOZIAZNKQJPRLJ-UHFFFAOYSA-N	-1	0	263.316	2.569	20	30		CFEDRM
COCc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000741760503	574301342	/nfs/dbraw/zinc/30/13/42/574301342.db2.gz	ZNQDMHCEGWDHQI-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
O=C([O-])c1ccc(C=NN=c2[nH]c3ccccc3s2)[nH]1	ZINC000749808171	574310224	/nfs/dbraw/zinc/31/02/24/574310224.db2.gz	VIQXDVZBEMRDEN-UHFFFAOYSA-N	-1	0	286.316	2.769	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ncccc2C(F)(F)F)[nH]1	ZINC000749816175	574310648	/nfs/dbraw/zinc/31/06/48/574310648.db2.gz	XOCMGQZZDRYNTH-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
C=CC1CCN(c2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	ZINC000735409818	574322574	/nfs/dbraw/zinc/32/25/74/574322574.db2.gz	LYFADYWPPQGAPY-UHFFFAOYSA-N	-1	0	289.770	2.923	20	30		CFEDRM
C=CCCCNc1ccc(-c2nn[nH]n2)c(Cl)c1	ZINC000735412981	574322869	/nfs/dbraw/zinc/32/28/69/574322869.db2.gz	NWAAFSSGBBUPSH-UHFFFAOYSA-N	-1	0	263.732	2.898	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)CCSCC(=O)[O-]	ZINC000736108266	574350370	/nfs/dbraw/zinc/35/03/70/574350370.db2.gz	QZAISHZSEPDDPJ-UHFFFAOYSA-N	-1	0	299.436	2.789	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000736102453	574350376	/nfs/dbraw/zinc/35/03/76/574350376.db2.gz	IHMRNLDJXLFTFS-VIFPVBQESA-N	-1	0	283.349	2.674	20	30		CFEDRM
C#Cc1cccc(N(C)CCOc2cccc(C(=O)[O-])c2)c1	ZINC000736090720	574350576	/nfs/dbraw/zinc/35/05/76/574350576.db2.gz	ICIBMGIRUZBNOA-UHFFFAOYSA-N	-1	0	295.338	2.881	20	30		CFEDRM
C=C1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1	ZINC000736094368	574350650	/nfs/dbraw/zinc/35/06/50/574350650.db2.gz	CSXGYPOMYNLYSI-UHFFFAOYSA-N	-1	0	298.342	2.518	20	30		CFEDRM
C#Cc1cccc(N(CC(=O)[O-])Cc2cccs2)c1	ZINC000736091083	574350652	/nfs/dbraw/zinc/35/06/52/574350652.db2.gz	OCFQOCUNEGUPRQ-UHFFFAOYSA-N	-1	0	271.341	2.821	20	30		CFEDRM
C=CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccncc1	ZINC000736097003	574351083	/nfs/dbraw/zinc/35/10/83/574351083.db2.gz	VEAYOJLCEINPBA-OAHLLOKOSA-N	-1	0	296.326	2.827	20	30		CFEDRM
CC(C)c1ccc(NC(=O)[C@@H](C)C#N)c(C(=O)[O-])c1	ZINC000736201516	574354172	/nfs/dbraw/zinc/35/41/72/574354172.db2.gz	HOUXXFBPSZAOAZ-VIFPVBQESA-N	-1	0	260.293	2.606	20	30		CFEDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCC2)cc1	ZINC000736231045	574355639	/nfs/dbraw/zinc/35/56/39/574355639.db2.gz	YNUHIDWGVLCAIW-UHFFFAOYSA-N	-1	0	286.331	2.681	20	30		CFEDRM
CC(C)(C)/C=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250032	574357142	/nfs/dbraw/zinc/35/71/42/574357142.db2.gz	FPPGSGTXANWSCW-QIAWRQBBSA-N	-1	0	287.315	2.829	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2cccc(F)c2)C(=O)[O-])cc1	ZINC000739114968	574360102	/nfs/dbraw/zinc/36/01/02/574360102.db2.gz	MFHKXVBQGWWODD-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)[O-])cc1	ZINC000739116459	574360455	/nfs/dbraw/zinc/36/04/55/574360455.db2.gz	AADHRDGGEFKFDQ-LBPRGKRZSA-N	-1	0	287.296	2.602	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2Cc3ccc(Cl)cc3C2)n1	ZINC000743419454	574363733	/nfs/dbraw/zinc/36/37/33/574363733.db2.gz	WDFCPQPYLLXTDR-UHFFFAOYSA-N	-1	0	288.738	2.711	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000398203896	574363940	/nfs/dbraw/zinc/36/39/40/574363940.db2.gz	GQBYWDBVYNEJKL-SMDDNHRTSA-N	-1	0	270.373	2.674	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(Cl)nc2)c1	ZINC000743450712	574364822	/nfs/dbraw/zinc/36/48/22/574364822.db2.gz	YLGXUEHUJRXCRF-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
Cn1cccc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000743501956	574367247	/nfs/dbraw/zinc/36/72/47/574367247.db2.gz	UAKNNTWQEIHQPM-VIZOYTHASA-N	-1	0	293.710	2.911	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000751205435	574371856	/nfs/dbraw/zinc/37/18/56/574371856.db2.gz	FDNGUTZINHWPJU-UXBLZVDNSA-N	-1	0	297.266	2.828	20	30		CFEDRM
COc1ccc2oc(C(C)=NNCCC(=O)[O-])c(C)c2c1	ZINC000820858643	597742523	/nfs/dbraw/zinc/74/25/23/597742523.db2.gz	NRHHMHUJXPOKCL-UHFFFAOYSA-N	-1	0	290.319	2.538	20	30		CFEDRM
Cc1cccc(CNN=C2CCC(C(=O)[O-])CC2)c1	ZINC000814872845	598097230	/nfs/dbraw/zinc/09/72/30/598097230.db2.gz	AOPBTILKHMKKCL-UHFFFAOYSA-N	-1	0	260.337	2.715	20	30		CFEDRM
Cc1csc([C@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)n1	ZINC000821147035	598148476	/nfs/dbraw/zinc/14/84/76/598148476.db2.gz	SSHKNVMCNMUJGS-LLVKDONJSA-N	-1	0	286.312	2.640	20	30		CFEDRM
CC(C)C[C@@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000794402242	598161401	/nfs/dbraw/zinc/16/14/01/598161401.db2.gz	PLMOTJVPZXBBEL-SSDOTTSWSA-N	-1	0	273.745	2.579	20	30		CFEDRM
Cc1cc(Cl)ccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820976463	598221598	/nfs/dbraw/zinc/22/15/98/598221598.db2.gz	HQCPXRWFPXMZEI-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(F)F)c1	ZINC000819857543	598226111	/nfs/dbraw/zinc/22/61/11/598226111.db2.gz	XWYAKJYRERMGTQ-ZDUSSCGKSA-N	-1	0	282.246	2.567	20	30		CFEDRM
Cc1ccc(N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl	ZINC000821083797	598227556	/nfs/dbraw/zinc/22/75/56/598227556.db2.gz	UXTUCZYTFHBTDR-CQSZACIVSA-N	-1	0	294.738	2.616	20	30		CFEDRM
C#CCCCCCC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000819700968	598227766	/nfs/dbraw/zinc/22/77/66/598227766.db2.gz	UBHMTGPFERNAGE-UHFFFAOYSA-N	-1	0	273.332	2.585	20	30		CFEDRM
CCc1ccc(CC)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820479910	598229268	/nfs/dbraw/zinc/22/92/68/598229268.db2.gz	GULYCXIJUDVAAS-MRXNPFEDSA-N	-1	0	288.347	2.754	20	30		CFEDRM
Cc1ccccc1[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821120122	598230796	/nfs/dbraw/zinc/23/07/96/598230796.db2.gz	MYWSRSPOJIWFFC-ABAIWWIYSA-N	-1	0	275.304	2.604	20	30		CFEDRM
N#Cc1ccc(OCc2ccoc2C(=O)[O-])cc1F	ZINC000133945345	600838187	/nfs/dbraw/zinc/83/81/87/600838187.db2.gz	FKOBXUUGCYMVCJ-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000054399599	599807435	/nfs/dbraw/zinc/80/74/35/599807435.db2.gz	MPRVQCXNQLDCOH-UHFFFAOYSA-N	-1	0	253.685	2.943	20	30		CFEDRM
C=C(Br)COc1cc(C(=O)[O-])ccc1C	ZINC000042393768	600025815	/nfs/dbraw/zinc/02/58/15/600025815.db2.gz	WYSLPBCLSPZONI-UHFFFAOYSA-N	-1	0	271.110	2.981	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000136012820	600266814	/nfs/dbraw/zinc/26/68/14/600266814.db2.gz	DIFBACTXASGTAL-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=CCCCN(C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000136013549	600266945	/nfs/dbraw/zinc/26/69/45/600266945.db2.gz	VYNZTDURSBZLKP-UHFFFAOYSA-N	-1	0	290.363	2.535	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000163199445	600269730	/nfs/dbraw/zinc/26/97/30/600269730.db2.gz	OLMSGMXARNZKFF-LLVKDONJSA-N	-1	0	276.336	2.790	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000161176411	600274766	/nfs/dbraw/zinc/27/47/66/600274766.db2.gz	JIXUPCFATGVPLJ-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000063009125	600399928	/nfs/dbraw/zinc/39/99/28/600399928.db2.gz	GWIZXMOEUUVTNE-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
C[C@@H](CSCc1cn2ccccc2c1C#N)C(=O)[O-]	ZINC000086109836	600604258	/nfs/dbraw/zinc/60/42/58/600604258.db2.gz	KFEPXPZXXMCWTE-JTQLQIEISA-N	-1	0	274.345	2.765	20	30		CFEDRM
C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1	ZINC000826061521	600684569	/nfs/dbraw/zinc/68/45/69/600684569.db2.gz	VXUNWOHDOAVWLJ-YGRLFVJLSA-N	-1	0	299.282	2.624	20	30		CFEDRM
C=CCCCOC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000825671194	600728521	/nfs/dbraw/zinc/72/85/21/600728521.db2.gz	FFXXDQOPWGELEY-UHFFFAOYSA-N	-1	0	265.265	2.605	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000184939121	600876569	/nfs/dbraw/zinc/87/65/69/600876569.db2.gz	BPMAFMTZWJKLOP-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
C=CCOc1ccc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000825699003	600948596	/nfs/dbraw/zinc/94/85/96/600948596.db2.gz	PJOSYGIDSZTBTA-AWEZNQCLSA-N	-1	0	292.331	2.908	20	30		CFEDRM
N#CCc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000111476037	601125955	/nfs/dbraw/zinc/12/59/55/601125955.db2.gz	YOUXOSDNKQTAIQ-OLZOCXBDSA-N	-1	0	286.331	2.582	20	30		CFEDRM
N#CCc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000111476039	601126054	/nfs/dbraw/zinc/12/60/54/601126054.db2.gz	YOUXOSDNKQTAIQ-STQMWFEESA-N	-1	0	286.331	2.582	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000825671612	601126691	/nfs/dbraw/zinc/12/66/91/601126691.db2.gz	XGRCSTZRFPFYKG-UHFFFAOYSA-N	-1	0	269.247	2.958	20	30		CFEDRM
Cc1ccc(NC(=O)NCCCCC#N)cc1C(=O)[O-]	ZINC000832946848	601142544	/nfs/dbraw/zinc/14/25/44/601142544.db2.gz	KDBIOYOXCZFYEW-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
CC(C)=C(C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000826641544	601194329	/nfs/dbraw/zinc/19/43/29/601194329.db2.gz	DGLHRHDXPCHEIR-ZDUSSCGKSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C#CC[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(C)C	ZINC000825600370	601194474	/nfs/dbraw/zinc/19/44/74/601194474.db2.gz	LFWWKNIBWQGWCN-ZDUSSCGKSA-N	-1	0	275.304	2.981	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)s1	ZINC000833071304	601271486	/nfs/dbraw/zinc/27/14/86/601271486.db2.gz	FLDGRBCCZJDNSI-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c(F)c1	ZINC000832157769	601330796	/nfs/dbraw/zinc/33/07/96/601330796.db2.gz	VEFLULKUJFHEGH-XVNBXDOJSA-N	-1	0	289.262	2.757	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3c(O)cccc3C2=O)[nH]1	ZINC000833311980	601332753	/nfs/dbraw/zinc/33/27/53/601332753.db2.gz	GNENCDFKEZOXEC-CMDGGOBGSA-N	-1	0	283.283	2.631	20	30		CFEDRM
CC/C=C(/C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829170080	601345858	/nfs/dbraw/zinc/34/58/58/601345858.db2.gz	JMJFCJCBEXMDMC-OMPYUXFZSA-N	-1	0	273.288	2.583	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CC=CCC2)C(=O)[O-])c1	ZINC000833075096	601346030	/nfs/dbraw/zinc/34/60/30/601346030.db2.gz	HOFJTONJVNHIDI-GXTWGEPZSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C=C(C)CS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825647805	601355978	/nfs/dbraw/zinc/35/59/78/601355978.db2.gz	VSYHLOTYMIZZSI-JTQLQIEISA-N	-1	0	297.401	2.861	20	30		CFEDRM
C=C(C)CS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825647818	601357762	/nfs/dbraw/zinc/35/77/62/601357762.db2.gz	VSYHLOTYMIZZSI-SNVBAGLBSA-N	-1	0	297.401	2.861	20	30		CFEDRM
CCCCC[C@@H](/N=C\c1cccc(O)c1O)C(=O)[O-]	ZINC000829311735	601365243	/nfs/dbraw/zinc/36/52/43/601365243.db2.gz	KFRXOSBYYAPUNM-PDICVPPASA-N	-1	0	265.309	2.550	20	30		CFEDRM
C=CCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000825671669	601437893	/nfs/dbraw/zinc/43/78/93/601437893.db2.gz	ZPAKBTKVTMIWLU-CQSZACIVSA-N	-1	0	275.348	2.636	20	30		CFEDRM
COc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832493739	601445454	/nfs/dbraw/zinc/44/54/54/601445454.db2.gz	RNXSKKMHEIFZSC-DHZHZOJOSA-N	-1	0	297.310	2.934	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C#N)s1	ZINC000833025848	601469508	/nfs/dbraw/zinc/46/95/08/601469508.db2.gz	SSJUUPOFHJMNQK-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1	ZINC000833072274	601469529	/nfs/dbraw/zinc/46/95/29/601469529.db2.gz	QSCVMZKOBFKLGT-GFCCVEGCSA-N	-1	0	287.296	2.602	20	30		CFEDRM
Cc1oc(COC(=O)c2cc(C#N)cs2)cc1C(=O)[O-]	ZINC000833027721	601500204	/nfs/dbraw/zinc/50/02/04/601500204.db2.gz	WTUOBHNJTMXRFG-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
C=C(C)CCOC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000825641916	601500496	/nfs/dbraw/zinc/50/04/96/601500496.db2.gz	AVMHDKROWFWXPN-UHFFFAOYSA-N	-1	0	292.331	2.890	20	30		CFEDRM
N#Cc1csc(C(=O)OCc2cccc(C(=O)[O-])c2)c1	ZINC000833078640	601500574	/nfs/dbraw/zinc/50/05/74/601500574.db2.gz	NGFRVGQWFBUEEO-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
Cc1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC000832968443	601538118	/nfs/dbraw/zinc/53/81/18/601538118.db2.gz	WRTMKMMERMSION-INIZCTEOSA-N	-1	0	295.342	2.519	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000236479925	601627611	/nfs/dbraw/zinc/62/76/11/601627611.db2.gz	YARMKBLTEKVXCH-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(C(=O)[O-])c(F)c1	ZINC000232598899	601641164	/nfs/dbraw/zinc/64/11/64/601641164.db2.gz	PKOCVDXMJAPSNP-UHFFFAOYSA-N	-1	0	278.327	2.896	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C#N)cs1	ZINC000833026262	601683819	/nfs/dbraw/zinc/68/38/19/601683819.db2.gz	ZQDIIYLEGACDIA-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)cc(F)c2)[nH]1	ZINC000833094355	601763871	/nfs/dbraw/zinc/76/38/71/601763871.db2.gz	GXNQOFDHVVKMGC-DUXPYHPUSA-N	-1	0	277.226	2.887	20	30		CFEDRM
C[C@@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)[O-]	ZINC000818065608	601782539	/nfs/dbraw/zinc/78/25/39/601782539.db2.gz	IAEXDKDFODNXQV-SSDOTTSWSA-N	-1	0	287.287	2.866	20	30		CFEDRM
COc1cccc(/C=N/Cc2cccc(C(=O)[O-])c2)c1O	ZINC000832545684	601845041	/nfs/dbraw/zinc/84/50/41/601845041.db2.gz	LXGPTTRHYMKTSI-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
COc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC000832572486	601851836	/nfs/dbraw/zinc/85/18/36/601851836.db2.gz	FLZZUAZUQDYCMQ-CLFYSBASSA-N	-1	0	284.267	2.809	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000829184946	601881047	/nfs/dbraw/zinc/88/10/47/601881047.db2.gz	RHCUZYMIWGEITL-CHWSQXEVSA-N	-1	0	294.395	2.856	20	30		CFEDRM
N#Cc1ccc(OCc2ccsc2C(=O)[O-])cc1	ZINC000110952517	601889179	/nfs/dbraw/zinc/88/91/79/601889179.db2.gz	PLGWCVLEJZCIKI-UHFFFAOYSA-N	-1	0	259.286	2.897	20	30		CFEDRM
N#Cc1ccccc1OCc1ccsc1C(=O)[O-]	ZINC000110952625	601889453	/nfs/dbraw/zinc/88/94/53/601889453.db2.gz	LAWGPAAFBIYAHV-UHFFFAOYSA-N	-1	0	259.286	2.897	20	30		CFEDRM
C[C@@H](SCCCOc1cccc(C#N)c1)C(=O)[O-]	ZINC000818065735	601970311	/nfs/dbraw/zinc/97/03/11/601970311.db2.gz	OGWRMWSIUTUPQA-SNVBAGLBSA-N	-1	0	265.334	2.533	20	30		CFEDRM
C=CCCCC(=O)OCc1ccc(C(=O)[O-])s1	ZINC000825671329	602012351	/nfs/dbraw/zinc/01/23/51/602012351.db2.gz	MIXZDRKSULKSPE-UHFFFAOYSA-N	-1	0	254.307	2.846	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000237963776	602082302	/nfs/dbraw/zinc/08/23/02/602082302.db2.gz	GLKJLWPGLRQQIB-UHFFFAOYSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)c1ccc2ccccc2n1	ZINC000827240521	602178613	/nfs/dbraw/zinc/17/86/13/602178613.db2.gz	LUMAGWJMQBMJDO-CMPLNLGQSA-N	-1	0	282.299	2.522	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000764715073	602180169	/nfs/dbraw/zinc/18/01/69/602180169.db2.gz	MZPMTNCZWQZGSO-UHFFFAOYSA-N	-1	0	268.316	2.817	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ncnc3ccsc32)cc1	ZINC000764839803	602185129	/nfs/dbraw/zinc/18/51/29/602185129.db2.gz	DHGWJIYLKJJOLU-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000235415616	602386810	/nfs/dbraw/zinc/38/68/10/602386810.db2.gz	IMUORMPKSDFVNC-MRVPVSSYSA-N	-1	0	266.272	2.610	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(OC(=O)c2cccc(C#N)c2)cc1	ZINC000827914065	603048424	/nfs/dbraw/zinc/04/84/24/603048424.db2.gz	FFPMDQIVGZIOAI-UHFFFAOYSA-N	-1	0	296.282	2.892	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@H]1CCCCN1C(=O)[O-]	ZINC000831117962	603181516	/nfs/dbraw/zinc/18/15/16/603181516.db2.gz	JDDXIVSHCLLCCS-GFCCVEGCSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC(CNC(=O)[O-])CC1	ZINC000831146585	603183300	/nfs/dbraw/zinc/18/33/00/603183300.db2.gz	VTCMBPMZWQDRSW-UHFFFAOYSA-N	-1	0	293.754	2.696	20	30		CFEDRM
C#CCCCNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823444988	603369705	/nfs/dbraw/zinc/36/97/05/603369705.db2.gz	SINYZRANJRKBSF-LLVKDONJSA-N	-1	0	289.335	2.550	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823486494	603373925	/nfs/dbraw/zinc/37/39/25/603373925.db2.gz	XKUNMMZFJBXVOR-SECBINFHSA-N	-1	0	297.742	2.889	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2ccccc2NC(=O)[O-])c1	ZINC000831161592	603735612	/nfs/dbraw/zinc/73/56/12/603735612.db2.gz	FTZNHYFEPKUOLG-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000823491387	603765786	/nfs/dbraw/zinc/76/57/86/603765786.db2.gz	VLIHFULNWHCPJU-SNVBAGLBSA-N	-1	0	289.335	2.813	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-]	ZINC000823490846	603767101	/nfs/dbraw/zinc/76/71/01/603767101.db2.gz	MHHJQCKYJOIBFE-NSHDSACASA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CCCCOC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823497228	603802083	/nfs/dbraw/zinc/80/20/83/603802083.db2.gz	ZKRPWCHRTNIGRX-YHWZYXNKSA-N	-1	0	281.352	2.807	20	30		CFEDRM
C=C(Cl)COC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823485709	603804439	/nfs/dbraw/zinc/80/44/39/603804439.db2.gz	JGIPQZCQFGQZAE-FGWVZKOKSA-N	-1	0	287.743	2.593	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CC(F)F)C(=O)[O-])c1	ZINC000900355934	620664049	/nfs/dbraw/zinc/66/40/49/620664049.db2.gz	WCTQZWGYPXOPJV-LLVKDONJSA-N	-1	0	298.289	2.950	20	30		CFEDRM
O=C([O-])N1CCc2c1cccc2N=Cc1cccc(O)c1O	ZINC000832069585	603914066	/nfs/dbraw/zinc/91/40/66/603914066.db2.gz	MQFSFIHKNRNENK-UHFFFAOYSA-N	-1	0	298.298	2.889	20	30		CFEDRM
N#Cc1c[nH]c(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1	ZINC000831114331	604040466	/nfs/dbraw/zinc/04/04/66/604040466.db2.gz	KSBQQPIUIIWRDC-UHFFFAOYSA-N	-1	0	295.258	2.693	20	30		CFEDRM
C=CCCCC(=O)Oc1cccc(CNC(=O)[O-])c1	ZINC000823497160	604049277	/nfs/dbraw/zinc/04/92/77/604049277.db2.gz	XCUXGYJPCUXVMP-UHFFFAOYSA-N	-1	0	263.293	2.716	20	30		CFEDRM
C=C(C)CCOC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823475279	604159124	/nfs/dbraw/zinc/15/91/24/604159124.db2.gz	WRNZUHLFKWSJTE-YHWZYXNKSA-N	-1	0	281.352	2.807	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900401869	620670737	/nfs/dbraw/zinc/67/07/37/620670737.db2.gz	YRJCEYLHXGTUII-QWHCGFSZSA-N	-1	0	290.750	2.759	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000826871300	604295671	/nfs/dbraw/zinc/29/56/71/604295671.db2.gz	RWXIQIOGUDNCIY-UHFFFAOYSA-N	-1	0	292.310	2.536	20	30		CFEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000826759479	604300291	/nfs/dbraw/zinc/30/02/91/604300291.db2.gz	HAYFSVOHUIVVJI-HNNXBMFYSA-N	-1	0	292.310	2.582	20	30		CFEDRM
C#C[C@H](OC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC)C1CC1	ZINC000833360920	604476538	/nfs/dbraw/zinc/47/65/38/604476538.db2.gz	SGZFIFKYGMTWIH-LBPRGKRZSA-N	-1	0	289.331	2.542	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])cs1)C(C)C	ZINC000825676053	604503950	/nfs/dbraw/zinc/50/39/50/604503950.db2.gz	QCLQVUOQZIERDI-UHFFFAOYSA-N	-1	0	268.338	2.875	20	30		CFEDRM
C=C[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825653168	604521048	/nfs/dbraw/zinc/52/10/48/604521048.db2.gz	DOXCHVUXSQJSHH-WCQYABFASA-N	-1	0	290.363	2.712	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccccc1C(=O)[O-])OCC	ZINC000819705839	604539585	/nfs/dbraw/zinc/53/95/85/604539585.db2.gz	IJWXTBRKYVEFSX-ZDUSSCGKSA-N	-1	0	277.320	2.695	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)OCC	ZINC000833367982	604542110	/nfs/dbraw/zinc/54/21/10/604542110.db2.gz	YXGRAQSUONNAPK-AWEZNQCLSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCNC(=O)[O-])c1ccccc1	ZINC000825664740	604559900	/nfs/dbraw/zinc/55/99/00/604559900.db2.gz	KATPNXIZPGXXSX-AWEZNQCLSA-N	-1	0	290.363	2.858	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)OCC	ZINC000833367317	604565199	/nfs/dbraw/zinc/56/51/99/604565199.db2.gz	KKDJWQOWBVAQLZ-DZGCQCFKSA-N	-1	0	297.395	2.507	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833468969	604583093	/nfs/dbraw/zinc/58/30/93/604583093.db2.gz	OCHHBQWIMGSQGG-SNVBAGLBSA-N	-1	0	275.304	2.592	20	30		CFEDRM
CCC1(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCC1	ZINC000833646595	604585263	/nfs/dbraw/zinc/58/52/63/604585263.db2.gz	RJOWAVRQQWZITE-UHFFFAOYSA-N	-1	0	287.315	2.880	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1cc(C)c(C(=O)[O-])o1)OCC	ZINC000833368599	604596697	/nfs/dbraw/zinc/59/66/97/604596697.db2.gz	MOQYEOJSDMVBFY-LBPRGKRZSA-N	-1	0	296.319	2.701	20	30		CFEDRM
C=C(C)[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1)OCC	ZINC000833368384	604597098	/nfs/dbraw/zinc/59/70/98/604597098.db2.gz	GMAVBBRDIRWMOD-ZFWWWQNUSA-N	-1	0	292.331	2.727	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1)OCC	ZINC000833368728	604601559	/nfs/dbraw/zinc/60/15/59/604601559.db2.gz	RLXCKXBFMCGGIZ-ZDUSSCGKSA-N	-1	0	278.304	2.662	20	30		CFEDRM
Cc1ccc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])nn1	ZINC000814840857	604638833	/nfs/dbraw/zinc/63/88/33/604638833.db2.gz	TUKNEJMTTAUKSR-JTQLQIEISA-N	-1	0	278.356	2.854	20	30		CFEDRM
Cc1ccc(O)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369610	604668357	/nfs/dbraw/zinc/66/83/57/604668357.db2.gz	VQLHAEDOGBCBSO-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763371068	604668396	/nfs/dbraw/zinc/66/83/96/604668396.db2.gz	YYQOCLRAZONFPV-UHFFFAOYSA-N	-1	0	260.297	2.507	20	30		CFEDRM
CCc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763369190	604668581	/nfs/dbraw/zinc/66/85/81/604668581.db2.gz	SEKCHMZVALULPZ-UHFFFAOYSA-N	-1	0	273.292	2.771	20	30		CFEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])cn2)C(C)(C)O1	ZINC000763371979	604669259	/nfs/dbraw/zinc/66/92/59/604669259.db2.gz	OFPNYGSVUDVXCU-UHFFFAOYSA-N	-1	0	277.324	2.525	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823473831	604702132	/nfs/dbraw/zinc/70/21/32/604702132.db2.gz	HXWQFRDFARXZND-ZDUSSCGKSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=C(Cl)COC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833370128	604733943	/nfs/dbraw/zinc/73/39/43/604733943.db2.gz	LAXIIWMDDDNMQI-UHFFFAOYSA-N	-1	0	268.696	2.613	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000761644843	604778096	/nfs/dbraw/zinc/77/80/96/604778096.db2.gz	SYJZLDWIVVGGHQ-WFASDCNBSA-N	-1	0	287.359	2.716	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833678396	604792940	/nfs/dbraw/zinc/79/29/40/604792940.db2.gz	QKIFJLDKDQKROO-CMDGGOBGSA-N	-1	0	284.315	2.577	20	30		CFEDRM
CC#CCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000700764350	604795355	/nfs/dbraw/zinc/79/53/55/604795355.db2.gz	VLZZXDLNMDQYGY-UHFFFAOYSA-N	-1	0	269.094	2.549	20	30		CFEDRM
C[C@H](SCC#Cc1ccccc1Cl)C(=O)[O-]	ZINC000833543526	604873413	/nfs/dbraw/zinc/87/34/13/604873413.db2.gz	UOKBNHQDTDERPP-VIFPVBQESA-N	-1	0	254.738	2.898	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000165753524	604875101	/nfs/dbraw/zinc/87/51/01/604875101.db2.gz	BWEYHFPWZGGFOJ-UHFFFAOYSA-N	-1	0	260.293	2.567	20	30		CFEDRM
C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000833360559	604883777	/nfs/dbraw/zinc/88/37/77/604883777.db2.gz	LUQJFTATQYXBFZ-INIZCTEOSA-N	-1	0	294.306	2.786	20	30		CFEDRM
C#CCCCCC(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833362651	605018636	/nfs/dbraw/zinc/01/86/36/605018636.db2.gz	CFRDTVFZRWHLGO-UHFFFAOYSA-N	-1	0	260.289	2.622	20	30		CFEDRM
CC(=NOC1CCCC1)c1ccc(OCC(=O)[O-])cc1	ZINC000833387010	605040652	/nfs/dbraw/zinc/04/06/52/605040652.db2.gz	JIIHQWYWXCUZRJ-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
C=C(C)COc1cccc(N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000833369711	605063154	/nfs/dbraw/zinc/06/31/54/605063154.db2.gz	BTCFEFUPWQRQKK-CQSZACIVSA-N	-1	0	261.321	2.917	20	30		CFEDRM
N#CCCCOc1cccc(N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000833760497	605064907	/nfs/dbraw/zinc/06/49/07/605064907.db2.gz	WDWHGVKTVNYUCL-CQSZACIVSA-N	-1	0	274.320	2.644	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405306403	605086130	/nfs/dbraw/zinc/08/61/30/605086130.db2.gz	XPBFUJSRTTUCQA-QWHCGFSZSA-N	-1	0	294.395	2.628	20	30		CFEDRM
CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccc(N)cc1	ZINC000812445307	605101188	/nfs/dbraw/zinc/10/11/88/605101188.db2.gz	PWBMYGOCSOKUKW-UHFFFAOYSA-N	-1	0	269.304	2.803	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(F)cc1C(=O)[O-])C(C)C	ZINC000162364727	605132455	/nfs/dbraw/zinc/13/24/55/605132455.db2.gz	DAIYKJXDXJVHTL-UHFFFAOYSA-N	-1	0	280.299	2.952	20	30		CFEDRM
C#CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1	ZINC000833361097	605133888	/nfs/dbraw/zinc/13/38/88/605133888.db2.gz	WJZOSBAWJWVCJU-HNNXBMFYSA-N	-1	0	269.300	2.832	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000833364235	605137688	/nfs/dbraw/zinc/13/76/88/605137688.db2.gz	HTAROQMTZRPCEY-UHFFFAOYSA-N	-1	0	292.360	2.811	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1nccn1C	ZINC000833386443	605155990	/nfs/dbraw/zinc/15/59/90/605155990.db2.gz	FAIXKMOBGRCKCE-UHFFFAOYSA-N	-1	0	292.726	2.608	20	30		CFEDRM
Cc1ccc(C#N)c(NC[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000061609645	605157853	/nfs/dbraw/zinc/15/78/53/605157853.db2.gz	MONZFHLGJNVYSL-AWEZNQCLSA-N	-1	0	281.315	2.542	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)O[C@@H](C#N)C1CCCCC1	ZINC000833456176	605160651	/nfs/dbraw/zinc/16/06/51/605160651.db2.gz	GVOFFUXBGWCDSQ-LBPRGKRZSA-N	-1	0	281.352	2.893	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000833603482	605163368	/nfs/dbraw/zinc/16/33/68/605163368.db2.gz	BIKYASQXJXCNSL-DDTOSNHZSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000833536032	605215425	/nfs/dbraw/zinc/21/54/25/605215425.db2.gz	MLVCQXXDITXIRY-SNVBAGLBSA-N	-1	0	296.282	2.569	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000833428043	605230670	/nfs/dbraw/zinc/23/06/70/605230670.db2.gz	NYFJHWTZAOCWFX-ZDUSSCGKSA-N	-1	0	289.331	2.533	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](CSc2ccccc2C#N)O1	ZINC000833582913	605237246	/nfs/dbraw/zinc/23/72/46/605237246.db2.gz	ZALNFJVQUUJXJL-NSHDSACASA-N	-1	0	275.329	2.798	20	30		CFEDRM
C=C[C@H](CC(=O)OCCCC(=O)[O-])c1ccccc1	ZINC000833371047	605285326	/nfs/dbraw/zinc/28/53/26/605285326.db2.gz	KUNRFWLGHAOXAV-GFCCVEGCSA-N	-1	0	262.305	2.754	20	30		CFEDRM
C[C@H](C#N)COC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823648807	605285362	/nfs/dbraw/zinc/28/53/62/605285362.db2.gz	XMNJBLHBOSNQOH-SSDOTTSWSA-N	-1	0	282.683	2.746	20	30		CFEDRM
C#CCN(CC)[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833364168	605374756	/nfs/dbraw/zinc/37/47/56/605374756.db2.gz	GBAKBKKBQBOQJC-GFCCVEGCSA-N	-1	0	269.703	2.560	20	30		CFEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1cccc(C#N)c1	ZINC000824759346	605462768	/nfs/dbraw/zinc/46/27/68/605462768.db2.gz	KNYFQSJTPJCXDG-CQSZACIVSA-N	-1	0	286.335	2.879	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000833819358	605499734	/nfs/dbraw/zinc/49/97/34/605499734.db2.gz	TYTSWSLFIYYUSK-KOLCDFICSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833852479	605554682	/nfs/dbraw/zinc/55/46/82/605554682.db2.gz	DWXRGMPIJBWIAM-CHWSQXEVSA-N	-1	0	284.400	2.852	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C/c1ccoc1C(=O)[O-]	ZINC000833734009	605576989	/nfs/dbraw/zinc/57/69/89/605576989.db2.gz	ZCCIRVSWWPRQQN-DUXPYHPUSA-N	-1	0	288.255	2.588	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@@H]1CCCOC1	ZINC000779768172	605580048	/nfs/dbraw/zinc/58/00/48/605580048.db2.gz	SNJUJFDVENMFHX-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1csc(C)n1	ZINC000812375104	605593609	/nfs/dbraw/zinc/59/36/09/605593609.db2.gz	SSHLRLHDNPTURE-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000833361769	605595724	/nfs/dbraw/zinc/59/57/24/605595724.db2.gz	KOLDYEIEPPRYKK-UHFFFAOYSA-N	-1	0	289.331	2.672	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC000833361717	605600234	/nfs/dbraw/zinc/60/02/34/605600234.db2.gz	ISRLDYBFELTLJS-UHFFFAOYSA-N	-1	0	299.330	2.783	20	30		CFEDRM
N#Cc1cc(CNc2cc(NC(=O)[O-])ccc2F)ccn1	ZINC000833970773	605642480	/nfs/dbraw/zinc/64/24/80/605642480.db2.gz	SHILDTMZORMWOH-UHFFFAOYSA-N	-1	0	286.266	2.794	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])c1ccccc1	ZINC000823497185	605713033	/nfs/dbraw/zinc/71/30/33/605713033.db2.gz	XVCKMCTVVFQRJI-GXTWGEPZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C#CCCCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000833362805	605763220	/nfs/dbraw/zinc/76/32/20/605763220.db2.gz	LVMYZMKANFYNKE-AWEZNQCLSA-N	-1	0	287.359	2.682	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(CNC(=O)[O-])c1)C1CC1	ZINC000833788365	605814235	/nfs/dbraw/zinc/81/42/35/605814235.db2.gz	WJPNFTHWIRULDH-UHFFFAOYSA-N	-1	0	289.335	2.637	20	30		CFEDRM
CC1(C#N)CCN(Cc2cc(C(=O)[O-])ccc2F)CC1	ZINC000833550536	605847968	/nfs/dbraw/zinc/84/79/68/605847968.db2.gz	AZXWRRXFPGLCLG-UHFFFAOYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)[O-])no1	ZINC000833375274	605871038	/nfs/dbraw/zinc/87/10/38/605871038.db2.gz	NIHNAGOEAFFZPZ-UHFFFAOYSA-N	-1	0	292.335	2.581	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](CNC(=O)[O-])C2)cc1Cl	ZINC000833973819	605949124	/nfs/dbraw/zinc/94/91/24/605949124.db2.gz	NSHRTNDKXCJYDE-JTQLQIEISA-N	-1	0	293.754	2.696	20	30		CFEDRM
O=C([O-])N1CCCC(=NNCCCc2ccccc2)CC1	ZINC000834097004	605992507	/nfs/dbraw/zinc/99/25/07/605992507.db2.gz	MAZSZTIETYJQJZ-UHFFFAOYSA-N	-1	0	289.379	2.729	20	30		CFEDRM
O=C([O-])N1CCC[C@H](C=NOCc2ccccc2)C1	ZINC000834101312	606049964	/nfs/dbraw/zinc/04/99/64/606049964.db2.gz	XMDPHJPFAZQVGD-CYBMUJFWSA-N	-1	0	262.309	2.579	20	30		CFEDRM
CC[C@@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000825059685	607887303	/nfs/dbraw/zinc/88/73/03/607887303.db2.gz	IRHGMMMBBVJLQP-MRVPVSSYSA-N	-1	0	291.359	2.596	20	30		CFEDRM
CC[C@@H](CNc1nc2ccccc2c(C)c1C#N)C(=O)[O-]	ZINC000900977396	620736210	/nfs/dbraw/zinc/73/62/10/620736210.db2.gz	WDSXTDWFUWINER-NSHDSACASA-N	-1	0	283.331	2.938	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cccc2ccccc21	ZINC000049417423	617604075	/nfs/dbraw/zinc/60/40/75/617604075.db2.gz	JRPPWCQCHKSTCW-UHFFFAOYSA-N	-1	0	277.345	2.883	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N[C@@H]3CCC[C@@H]3C(=O)[O-])c2c1	ZINC000900976948	620736304	/nfs/dbraw/zinc/73/63/04/620736304.db2.gz	OJECNHZIISFWPA-SWLSCSKDSA-N	-1	0	295.342	2.502	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)sc2C)o1	ZINC000049501774	617607072	/nfs/dbraw/zinc/60/70/72/617607072.db2.gz	AGGYGHQNWJKCKA-UHFFFAOYSA-N	-1	0	299.373	2.960	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513744	617608127	/nfs/dbraw/zinc/60/81/27/617608127.db2.gz	KKYYBBOPNFYXTK-UHFFFAOYSA-N	-1	0	285.365	2.831	20	30		CFEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049514019	617608204	/nfs/dbraw/zinc/60/82/04/617608204.db2.gz	GDIKCKVWBINSEN-LLVKDONJSA-N	-1	0	291.413	2.667	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(F)cc2[O-])cn1	ZINC000255368981	617679005	/nfs/dbraw/zinc/67/90/05/617679005.db2.gz	SUDLBLKEVSWVMO-UTCJRWHESA-N	-1	0	260.268	2.644	20	30		CFEDRM
CCN(Cc1ncc(Br)cc1[O-])C[C@@H](C)C#N	ZINC000891716825	617725265	/nfs/dbraw/zinc/72/52/65/617725265.db2.gz	XKURMZVXOLGOCR-VIFPVBQESA-N	-1	0	298.184	2.531	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-]	ZINC000255391846	617727711	/nfs/dbraw/zinc/72/77/11/617727711.db2.gz	PKLRGMSMVBDLHE-WGAPNUGRSA-N	-1	0	296.710	2.693	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000890649548	617734924	/nfs/dbraw/zinc/73/49/24/617734924.db2.gz	DUKVOIJNDWBFEB-JTQLQIEISA-N	-1	0	281.714	2.813	20	30		CFEDRM
C=C1CCN(Cc2ncc(Br)cc2[O-])CC1	ZINC000891943065	617841602	/nfs/dbraw/zinc/84/16/02/617841602.db2.gz	MSDFBWGVHJSYEJ-UHFFFAOYSA-N	-1	0	283.169	2.702	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cccc(F)c1[O-]	ZINC000890816621	617913024	/nfs/dbraw/zinc/91/30/24/617913024.db2.gz	ZEWWJUCNFAWTMO-UHFFFAOYSA-N	-1	0	251.301	2.960	20	30		CFEDRM
O=C([O-])c1cc(C=NO[C@H]2CCCCO2)sc1Cl	ZINC000901205045	620764417	/nfs/dbraw/zinc/76/44/17/620764417.db2.gz	JGMURDQJIYXIDL-VIFPVBQESA-N	-1	0	289.740	2.977	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NO[C@H]3CCCCO3)c2c1	ZINC000901206617	620764862	/nfs/dbraw/zinc/76/48/62/620764862.db2.gz	VWKZVOJZZLMCCJ-AWEZNQCLSA-N	-1	0	288.303	2.743	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(Cl)cc2C#N)C1	ZINC000263271706	617975562	/nfs/dbraw/zinc/97/55/62/617975562.db2.gz	WCHDKFBFKCOUMC-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519727	617978678	/nfs/dbraw/zinc/97/86/78/617978678.db2.gz	TUAIHUSDORXNCW-SECBINFHSA-N	-1	0	299.417	2.572	20	30		CFEDRM
CC[C@@H](C)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000901233100	620768716	/nfs/dbraw/zinc/76/87/16/620768716.db2.gz	HXBPPYYKRHUQGB-SECBINFHSA-N	-1	0	259.309	2.588	20	30		CFEDRM
Oc1ccc2c(c1F)CCC2=NNc1ccnc(F)c1	ZINC000807983206	618031463	/nfs/dbraw/zinc/03/14/63/618031463.db2.gz	YXPROQQHBADHPU-UHFFFAOYSA-N	-1	0	275.258	2.828	20	30		CFEDRM
CC[C@H](NN=C(C)c1csc(C(F)(F)F)c1)C(=O)[O-]	ZINC000901245590	620770904	/nfs/dbraw/zinc/77/09/04/620770904.db2.gz	FJHAYBCSSATIRV-QMMMGPOBSA-N	-1	0	294.298	2.944	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])c(F)c3)C2)CO1	ZINC000901248561	620771522	/nfs/dbraw/zinc/77/15/22/620771522.db2.gz	BIEHWZCEZYJZRA-WXMRUQJCSA-N	-1	0	292.310	2.881	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)c(C)c1	ZINC000046929949	618059440	/nfs/dbraw/zinc/05/94/40/618059440.db2.gz	OMZWWHLAZLQXIX-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(C)CCCCC1	ZINC000127969019	618070248	/nfs/dbraw/zinc/07/02/48/618070248.db2.gz	PYKKPLZXLFEHQR-GFCCVEGCSA-N	-1	0	287.363	2.672	20	30		CFEDRM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418082	618080887	/nfs/dbraw/zinc/08/08/87/618080887.db2.gz	UOJYJXNBCBJULU-UHFFFAOYSA-N	-1	0	285.365	2.517	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513481	618082384	/nfs/dbraw/zinc/08/23/84/618082384.db2.gz	ZQQBWXWLHGROET-CMDGGOBGSA-N	-1	0	283.349	2.912	20	30		CFEDRM
CCNN=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000901281319	620776246	/nfs/dbraw/zinc/77/62/46/620776246.db2.gz	NKXNGBQJLPLHBJ-UHFFFAOYSA-N	-1	0	275.121	2.627	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCOC1	ZINC000255264925	618152458	/nfs/dbraw/zinc/15/24/58/618152458.db2.gz	LZGSRAQVXJXVNH-YZJXFOOCSA-N	-1	0	260.120	2.907	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCCC[C@H]1O	ZINC000901333968	620787371	/nfs/dbraw/zinc/78/73/71/620787371.db2.gz	FHLRRGMVQOORRO-ZIAGYGMSSA-N	-1	0	284.400	2.681	20	30		CFEDRM
O=c1[n-]c(N=NC2CCCCC2)nc2ccccc21	ZINC000039370605	618160614	/nfs/dbraw/zinc/16/06/14/618160614.db2.gz	DZXVMYFXVLEPRN-UHFFFAOYSA-N	-1	0	256.309	2.655	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCC(=O)c2ccccc2)c1	ZINC000176825049	618207079	/nfs/dbraw/zinc/20/70/79/618207079.db2.gz	ONJSFGHKKBXHGZ-UHFFFAOYSA-N	-1	0	294.310	2.865	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CSCc2ccccn2)c1	ZINC000176823367	618207264	/nfs/dbraw/zinc/20/72/64/618207264.db2.gz	AEHHHSYZUPFZJL-UHFFFAOYSA-N	-1	0	299.355	2.531	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880236	618211652	/nfs/dbraw/zinc/21/16/52/618211652.db2.gz	JIKMQPFMIYLROI-ZJUUUORDSA-N	-1	0	287.406	2.785	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)o1	ZINC000077881031	618212145	/nfs/dbraw/zinc/21/21/45/618212145.db2.gz	LXGGFVATUHQHLN-LLVKDONJSA-N	-1	0	293.344	2.984	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cnn3ccccc23)c([O-])c1	ZINC000176954205	618246703	/nfs/dbraw/zinc/24/67/03/618246703.db2.gz	CZMBLLSVTBUAFI-VMPITWQZSA-N	-1	0	294.310	2.945	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccccc2[O-])o1	ZINC000176953566	618247033	/nfs/dbraw/zinc/24/70/33/618247033.db2.gz	DIZYLQWWEFVSSA-SOFGYWHQSA-N	-1	0	272.256	2.668	20	30		CFEDRM
O=C(/C=C/c1cnn2ccccc12)c1ccc(O)cc1[O-]	ZINC000176954788	618247110	/nfs/dbraw/zinc/24/71/10/618247110.db2.gz	GTGPAVSSWYTYOA-QPJJXVBHSA-N	-1	0	280.283	2.642	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909427808	618251899	/nfs/dbraw/zinc/25/18/99/618251899.db2.gz	YIUHDJFZLGZGBJ-AWEZNQCLSA-N	-1	0	287.359	2.799	20	30		CFEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])nc1	ZINC000841640040	618277747	/nfs/dbraw/zinc/27/77/47/618277747.db2.gz	CEBIJIKHWUJXLP-UHFFFAOYSA-N	-1	0	260.297	2.652	20	30		CFEDRM
CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000049302166	618292380	/nfs/dbraw/zinc/29/23/80/618292380.db2.gz	NXKKKUOLCOQYBE-GFCCVEGCSA-N	-1	0	299.392	2.783	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)co1	ZINC000892464668	618302229	/nfs/dbraw/zinc/30/22/29/618302229.db2.gz	IIQATSDQZWRRMM-LBPRGKRZSA-N	-1	0	276.336	2.607	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cc(C(=O)[O-])cs1	ZINC000814886520	618340656	/nfs/dbraw/zinc/34/06/56/618340656.db2.gz	BCCGCBCYLZELCV-LLVKDONJSA-N	-1	0	269.322	2.714	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCC(CCC)CC1	ZINC000092467595	618347897	/nfs/dbraw/zinc/34/78/97/618347897.db2.gz	XCRFSVMMJQMGGD-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(Cl)o1	ZINC000086055056	618398278	/nfs/dbraw/zinc/39/82/78/618398278.db2.gz	OCJHZWZLSHZSOS-UHFFFAOYSA-N	-1	0	277.729	2.510	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1CCCc2sccc21	ZINC000856031908	618422540	/nfs/dbraw/zinc/42/25/40/618422540.db2.gz	CCNIYMTVQFPHCS-LLVKDONJSA-N	-1	0	251.351	2.792	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909504732	618459774	/nfs/dbraw/zinc/45/97/74/618459774.db2.gz	VATIDPSGENUNKT-VIFPVBQESA-N	-1	0	296.392	2.929	20	30		CFEDRM
Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cccs2)c1	ZINC000066229696	618468683	/nfs/dbraw/zinc/46/86/83/618468683.db2.gz	YUVBLRDBPDMUJI-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@@H]2CCC(C)C)[n-]c1=O	ZINC000727254816	618470146	/nfs/dbraw/zinc/47/01/46/618470146.db2.gz	ZWRXVYRNBMIFRK-LLVKDONJSA-N	-1	0	277.372	2.890	20	30		CFEDRM
CO[C@H](C)CC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000726428784	618474299	/nfs/dbraw/zinc/47/42/99/618474299.db2.gz	FJLLQARRKGWQSA-BNUBCSQOSA-N	-1	0	286.715	2.798	20	30		CFEDRM
Cc1ccc(N=NC(C)c2ccc(CC(=O)[O-])cc2)nc1	ZINC000727260501	618477100	/nfs/dbraw/zinc/47/71/00/618477100.db2.gz	YLGQQXRHLGUPRA-UHFFFAOYSA-N	-1	0	283.331	2.853	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC[C@@H]1CCc2ccccc21	ZINC000909517041	618538915	/nfs/dbraw/zinc/53/89/15/618538915.db2.gz	YFFRCNXACMUFDN-AWEZNQCLSA-N	-1	0	287.359	2.596	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000909520719	618565292	/nfs/dbraw/zinc/56/52/92/618565292.db2.gz	SMZSIQKJPJITEX-GFCCVEGCSA-N	-1	0	273.332	2.692	20	30		CFEDRM
CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)C(F)F	ZINC000178123311	618625190	/nfs/dbraw/zinc/62/51/90/618625190.db2.gz	DBYQAGBWZIIBJD-UHFFFAOYSA-N	-1	0	268.254	2.866	20	30		CFEDRM
Cc1ncccc1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000255908424	618659725	/nfs/dbraw/zinc/65/97/25/618659725.db2.gz	XUICBJSKZXKHNW-FPLPWBNLSA-N	-1	0	297.310	2.750	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909328325	618935347	/nfs/dbraw/zinc/93/53/47/618935347.db2.gz	IYFHWFSCQDQNPL-CQSZACIVSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1	ZINC000909331041	618942636	/nfs/dbraw/zinc/94/26/36/618942636.db2.gz	FTBVWTNIPKVYGH-UHFFFAOYSA-N	-1	0	289.331	2.672	20	30		CFEDRM
C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000909369592	619014142	/nfs/dbraw/zinc/01/41/42/619014142.db2.gz	FHEAZFPCYJVJNY-ZDUSSCGKSA-N	-1	0	293.750	2.776	20	30		CFEDRM
Cc1nnc(N=NC(C)[C@@H](C)C2CCCCC2)[n-]c1=O	ZINC000747628997	619257246	/nfs/dbraw/zinc/25/72/46/619257246.db2.gz	YCVZBYCJEWBJGW-SECBINFHSA-N	-1	0	277.372	2.890	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2cccc(F)c2)c1	ZINC000814815077	619261161	/nfs/dbraw/zinc/26/11/61/619261161.db2.gz	MFQGTYOTEVUQLV-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccs2)c1	ZINC000048505750	619346321	/nfs/dbraw/zinc/34/63/21/619346321.db2.gz	DDWALURBMFYSFL-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1F)C1CC1	ZINC000048519215	619349376	/nfs/dbraw/zinc/34/93/76/619349376.db2.gz	ZZRHHXSSVLZTMB-CMDGGOBGSA-N	-1	0	283.324	2.827	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518969	619349543	/nfs/dbraw/zinc/34/95/43/619349543.db2.gz	QHYIZIRZPRKIGL-SSDOTTSWSA-N	-1	0	293.797	2.737	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C)cc1	ZINC000049134998	619534989	/nfs/dbraw/zinc/53/49/89/619534989.db2.gz	REASICFMUNQVRO-GFCCVEGCSA-N	-1	0	299.392	2.701	20	30		CFEDRM
C#CC1([NH2+]Cc2ncc(Br)cc2O)CCCC1	ZINC000896026244	619656591	/nfs/dbraw/zinc/65/65/91/619656591.db2.gz	JTPNHMLGXPGZHS-UHFFFAOYSA-N	-1	0	295.180	2.585	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC3(CCC3)O2)c1	ZINC000896821864	619832504	/nfs/dbraw/zinc/83/25/04/619832504.db2.gz	WPUMMANTYMFIGE-LBPRGKRZSA-N	-1	0	286.331	2.694	20	30		CFEDRM
CCc1noc(C)c1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840707001	619859953	/nfs/dbraw/zinc/85/99/53/619859953.db2.gz	QVQDHZPQUVGCMK-VIZOYTHASA-N	-1	0	289.291	2.778	20	30		CFEDRM
CC1(C)COC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708319	619877109	/nfs/dbraw/zinc/87/71/09/619877109.db2.gz	FQTVRGVOBYHGPR-BQFQGIAJSA-N	-1	0	298.726	2.798	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC[C@H]2CCOC2)c1	ZINC000840710000	619897111	/nfs/dbraw/zinc/89/71/11/619897111.db2.gz	NILLKFBCQDLRPV-ZRRZQRFHSA-N	-1	0	278.308	2.536	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CS1	ZINC000840712343	619930961	/nfs/dbraw/zinc/93/09/61/619930961.db2.gz	XWSMMIRMLDVKFG-GQCIRHCNSA-N	-1	0	266.322	2.613	20	30		CFEDRM
Cc1cc(C)c(C(=O)/C=C/c2cncnc2)c(O)c1	ZINC000799896616	620130365	/nfs/dbraw/zinc/13/03/65/620130365.db2.gz	XASJUXJSYSOFJS-ONEGZZNKSA-N	-1	0	254.289	2.695	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)c2ccccc2)n1	ZINC000263629779	620190255	/nfs/dbraw/zinc/19/02/55/620190255.db2.gz	HNHYXWAVXGQPKV-JTQLQIEISA-N	-1	0	256.309	2.692	20	30		CFEDRM
C[C@@H]1CC2(CC(/N=C\c3cc([N+](=O)[O-])ccc3[O-])C2)CO1	ZINC000899231614	620533801	/nfs/dbraw/zinc/53/38/01/620533801.db2.gz	SLTZMKSUXNNQEH-WQEXAGHNSA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])C1CCCC1	ZINC000899298020	620542716	/nfs/dbraw/zinc/54/27/16/620542716.db2.gz	NNHBICHIYLBBSN-DGCLKSJQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)c1	ZINC000899347502	620547757	/nfs/dbraw/zinc/54/77/57/620547757.db2.gz	WOCRFZCZAVLTAN-NSHDSACASA-N	-1	0	293.248	2.849	20	30		CFEDRM
Cc1c(C(=O)/C=C\c2cncc(C(=O)[O-])c2)cnn1C(C)C	ZINC000899369408	620555806	/nfs/dbraw/zinc/55/58/06/620555806.db2.gz	XBYFJFAIZWHZCY-PLNGDYQASA-N	-1	0	299.330	2.762	20	30		CFEDRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000042232120	620572569	/nfs/dbraw/zinc/57/25/69/620572569.db2.gz	JMZRTTICCJMHPY-UHFFFAOYSA-N	-1	0	289.356	2.883	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000899538724	620580064	/nfs/dbraw/zinc/58/00/64/620580064.db2.gz	ZTYNTRWWKXGFTO-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1	ZINC000899759195	620597231	/nfs/dbraw/zinc/59/72/31/620597231.db2.gz	MTHNSATYRJDPSX-GFCCVEGCSA-N	-1	0	274.320	2.634	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1	ZINC000899767444	620598483	/nfs/dbraw/zinc/59/84/83/620598483.db2.gz	RMGHSGXYLBQGJU-SNVBAGLBSA-N	-1	0	292.310	2.773	20	30		CFEDRM
Cc1csc(NC(=O)[C@H]2C[C@@]2(C(=O)[O-])C(C)C)c1C#N	ZINC000899782649	620598769	/nfs/dbraw/zinc/59/87/69/620598769.db2.gz	ORNYTGOLEZLOEY-QMTHXVAHSA-N	-1	0	292.360	2.614	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899794771	620600572	/nfs/dbraw/zinc/60/05/72/620600572.db2.gz	OHDCENAPQDNZHH-OAHLLOKOSA-N	-1	0	287.359	2.754	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1	ZINC000042279947	620602114	/nfs/dbraw/zinc/60/21/14/620602114.db2.gz	HADPDBYRRQHARN-UHFFFAOYSA-N	-1	0	275.329	2.618	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl	ZINC000042280205	620604478	/nfs/dbraw/zinc/60/44/78/620604478.db2.gz	OBQKVXDZIGAHJP-UHFFFAOYSA-N	-1	0	289.765	2.819	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899830098	620605232	/nfs/dbraw/zinc/60/52/32/620605232.db2.gz	HGHHAMDDPZUNBE-CHWSQXEVSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CC(C)(C)NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899854050	620606807	/nfs/dbraw/zinc/60/68/07/620606807.db2.gz	FRXHNAYRLFSXPP-CYBMUJFWSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CCC[C@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000901693485	620896824	/nfs/dbraw/zinc/89/68/24/620896824.db2.gz	VWKLINOTSYYXTQ-JTQLQIEISA-N	-1	0	268.382	2.776	20	30		CFEDRM
C=CCCC[C@H](C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000902023368	620953480	/nfs/dbraw/zinc/95/34/80/620953480.db2.gz	VXUHZTNEFUZUOZ-ZFWWWQNUSA-N	-1	0	289.375	2.963	20	30		CFEDRM
N#CCCc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1	ZINC000902838970	621188818	/nfs/dbraw/zinc/18/88/18/621188818.db2.gz	JQZYTHZXTRYAKF-UHFFFAOYSA-N	-1	0	284.315	2.502	20	30		CFEDRM
N#CCCc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1	ZINC000902840070	621189265	/nfs/dbraw/zinc/18/92/65/621189265.db2.gz	XOWHUEOTXPDSPC-KRWDZBQOSA-N	-1	0	298.342	2.892	20	30		CFEDRM
CCCCN(O)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000904211886	621553990	/nfs/dbraw/zinc/55/39/90/621553990.db2.gz	GBOPBMPJNBIFFB-UHFFFAOYSA-N	-1	0	261.680	2.816	20	30		CFEDRM
N#Cc1c2c(sc1[N-]S(=O)(=O)CCC1CC1)CCC2	ZINC000906074222	621928840	/nfs/dbraw/zinc/92/88/40/621928840.db2.gz	SDUZPYNOTBYFBO-UHFFFAOYSA-N	-1	0	296.417	2.650	20	30		CFEDRM
C=CC1(CC(=O)N[C@@](C)(CC)C(=O)[O-])CCCCC1	ZINC000907576260	622138344	/nfs/dbraw/zinc/13/83/44/622138344.db2.gz	CMYMFNMNHNGQHF-AWEZNQCLSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCCC1	ZINC000907598164	622141389	/nfs/dbraw/zinc/14/13/89/622141389.db2.gz	PGHMIHQADMABGY-OAHLLOKOSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000907605162	622142368	/nfs/dbraw/zinc/14/23/68/622142368.db2.gz	WGOHNNJVYADWLT-ABAIWWIYSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000907658597	622147977	/nfs/dbraw/zinc/14/79/77/622147977.db2.gz	CBBSVTNHROFWPO-SMDDNHRTSA-N	-1	0	293.338	2.712	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12	ZINC000907925160	622174063	/nfs/dbraw/zinc/17/40/63/622174063.db2.gz	MBDRAUJOICYCNP-XDQVBPFNSA-N	-1	0	281.396	2.962	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908083318	622191704	/nfs/dbraw/zinc/19/17/04/622191704.db2.gz	QXWIXLHZPNPDGH-MRXNPFEDSA-N	-1	0	275.348	2.879	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cccc(CC(=O)[O-])c1	ZINC000908221067	622202914	/nfs/dbraw/zinc/20/29/14/622202914.db2.gz	NJMOXXXKKXCCKY-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C=CCCCN(CC)C(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000908218183	622205627	/nfs/dbraw/zinc/20/56/27/622205627.db2.gz	BVVSOLZFJCIMFE-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000908216173	622205778	/nfs/dbraw/zinc/20/57/78/622205778.db2.gz	PWAOTVCZTMXMOW-KBPBESRZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)c1	ZINC000908249848	622208405	/nfs/dbraw/zinc/20/84/05/622208405.db2.gz	PDIDEJFYWKEZIW-LERXQTSPSA-N	-1	0	289.331	2.536	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)c1	ZINC000908250239	622208467	/nfs/dbraw/zinc/20/84/67/622208467.db2.gz	RKZFSVCUHLKQKI-UHFFFAOYSA-N	-1	0	271.316	2.913	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000908351468	622219233	/nfs/dbraw/zinc/21/92/33/622219233.db2.gz	GFIHZSKRBLRPJU-LPXQKFACSA-N	-1	0	264.369	2.800	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000908624970	622250278	/nfs/dbraw/zinc/25/02/78/622250278.db2.gz	CSEFCULEIGJTGH-CQSZACIVSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000908676028	622263319	/nfs/dbraw/zinc/26/33/19/622263319.db2.gz	VNTORDUEAGQTCP-VIFPVBQESA-N	-1	0	297.380	2.807	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](C)CC(=O)[O-]	ZINC000909095934	622310754	/nfs/dbraw/zinc/31/07/54/622310754.db2.gz	RPHUESFEIHLMNS-SNVBAGLBSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCCCCCCC(=O)[O-]	ZINC000909147373	622322210	/nfs/dbraw/zinc/32/22/10/622322210.db2.gz	RWPSUQQIADDCIM-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1	ZINC000909163549	622323780	/nfs/dbraw/zinc/32/37/80/622323780.db2.gz	GBUJFGIHJISNCK-UHFFFAOYSA-N	-1	0	289.331	2.753	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(C)CCC(=O)[O-]	ZINC000909169754	622324177	/nfs/dbraw/zinc/32/41/77/622324177.db2.gz	YSJUNYKAUDFOQF-UHFFFAOYSA-N	-1	0	279.361	2.511	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909223227	622329269	/nfs/dbraw/zinc/32/92/69/622329269.db2.gz	PDWIDQGETGKFTC-INIZCTEOSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909704262	622343272	/nfs/dbraw/zinc/34/32/72/622343272.db2.gz	SFPYFIIECMZHPP-ZDUSSCGKSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909693290	622345881	/nfs/dbraw/zinc/34/58/81/622345881.db2.gz	HVSYAJABPVYJTE-OAHLLOKOSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909789350	622352968	/nfs/dbraw/zinc/35/29/68/622352968.db2.gz	IVOAFHODWOSIGW-NSHDSACASA-N	-1	0	291.347	2.539	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909792797	622353197	/nfs/dbraw/zinc/35/31/97/622353197.db2.gz	KZUUXXDKEVODSA-OAHLLOKOSA-N	-1	0	291.322	2.570	20	30		CFEDRM
C#CCC1(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CCCCC1	ZINC000909844701	622360809	/nfs/dbraw/zinc/36/08/09/622360809.db2.gz	WKEHWKXUYLYOTA-MRXNPFEDSA-N	-1	0	291.391	2.674	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000909916145	622366869	/nfs/dbraw/zinc/36/68/69/622366869.db2.gz	CWHCWDUGXPCZTN-QWHCGFSZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21	ZINC000909959040	622377082	/nfs/dbraw/zinc/37/70/82/622377082.db2.gz	MCAQGBRPJUJBEC-SOUVJXGZSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)[C@@H](CC)C(=O)[O-])CCCC1(C)C	ZINC000910024738	622387771	/nfs/dbraw/zinc/38/77/71/622387771.db2.gz	ZILAANKLZHNZJP-NEPJUHHUSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000910044843	622395846	/nfs/dbraw/zinc/39/58/46/622395846.db2.gz	HTVUFEPGNFWECB-UHFFFAOYSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910228634	622414099	/nfs/dbraw/zinc/41/40/99/622414099.db2.gz	BGEQTWDITGBTNP-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000910292470	622430109	/nfs/dbraw/zinc/43/01/09/622430109.db2.gz	PMGILEZJEDRWOE-UQSGXBNBSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000910268383	622421397	/nfs/dbraw/zinc/42/13/97/622421397.db2.gz	YDSCCYJWWYPEGR-JARNTUPDSA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC1(C)C)C(=O)[O-]	ZINC000910268439	622421581	/nfs/dbraw/zinc/42/15/81/622421581.db2.gz	YIVKSIXCPNZCEC-UWVGGRQHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-]	ZINC000910272780	622422598	/nfs/dbraw/zinc/42/25/98/622422598.db2.gz	VTIZBYLKYGTDFP-ONGXEEELSA-N	-1	0	273.760	2.525	20	30		CFEDRM
CC(C)(C#N)CCCn1cc(C(=O)[O-])nc1C1CC1	ZINC000833407791	625565492	/nfs/dbraw/zinc/56/54/92/625565492.db2.gz	PAHWFEGNBDVNML-UHFFFAOYSA-N	-1	0	261.325	2.789	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910301909	622427500	/nfs/dbraw/zinc/42/75/00/622427500.db2.gz	KWOPEPBKNQTMLF-UHFFFAOYSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1c(C)cccc1Cl)C(=O)[O-]	ZINC000910291028	622429855	/nfs/dbraw/zinc/42/98/55/622429855.db2.gz	BUJVKHUYRBZFOO-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCCc1ccccc1)C(=O)[O-]	ZINC000910292834	622430146	/nfs/dbraw/zinc/43/01/46/622430146.db2.gz	JDHFIEPWBLSAKB-OAHLLOKOSA-N	-1	0	289.375	2.935	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910294987	622430661	/nfs/dbraw/zinc/43/06/61/622430661.db2.gz	SRBOKEJSKTYHBP-QWHCGFSZSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC(C)(C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000910366681	622436347	/nfs/dbraw/zinc/43/63/47/622436347.db2.gz	HGJGPOOBKXSIDF-NSHDSACASA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910787417	622476171	/nfs/dbraw/zinc/47/61/71/622476171.db2.gz	QTZZWJLPDRSLGS-LBPRGKRZSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C#CCC1(C(=O)NCC(C)(C)CC(=O)[O-])CCCCC1	ZINC000910827471	622479254	/nfs/dbraw/zinc/47/92/54/622479254.db2.gz	OPIDWZGXQZWUNF-UHFFFAOYSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000910913859	622486035	/nfs/dbraw/zinc/48/60/35/622486035.db2.gz	DXBQFBDKOYGPAB-CYBMUJFWSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCc1ccccc1F)C(=O)[O-]	ZINC000910914513	622486044	/nfs/dbraw/zinc/48/60/44/622486044.db2.gz	IDNXAXIKFUVWTD-CQSZACIVSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000910914605	622486366	/nfs/dbraw/zinc/48/63/66/622486366.db2.gz	LWFDGSYHBWEJMC-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)[O-]	ZINC000910914511	622486379	/nfs/dbraw/zinc/48/63/79/622486379.db2.gz	ICFMKNCXHLDRCR-ZDUSSCGKSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000910914668	622486403	/nfs/dbraw/zinc/48/64/03/622486403.db2.gz	MKOYDSXMOMRZTD-UKRRQHHQSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910916640	622486779	/nfs/dbraw/zinc/48/67/79/622486779.db2.gz	HLZGFGVQXIURND-MCIONIFRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc2ccsc2[nH]1)C(=O)[O-]	ZINC000910915697	622486868	/nfs/dbraw/zinc/48/68/68/622486868.db2.gz	PWWGXRGYFZCXBP-SNVBAGLBSA-N	-1	0	292.360	2.769	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-]	ZINC000910918208	622487241	/nfs/dbraw/zinc/48/72/41/622487241.db2.gz	IQHBEEZPSUMRNA-ZDUSSCGKSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/C(=C/C)CC)C(=O)[O-]	ZINC000910918039	622487263	/nfs/dbraw/zinc/48/72/63/622487263.db2.gz	WKRRGJJJVLGHGS-BPQITMFJSA-N	-1	0	265.353	2.825	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000910918338	622487310	/nfs/dbraw/zinc/48/73/10/622487310.db2.gz	YMRAQGZXNABUEK-CYBMUJFWSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc2c(s1)CCC2)C(=O)[O-]	ZINC000910919582	622487389	/nfs/dbraw/zinc/48/73/89/622487389.db2.gz	YJJTUDRHFQRKPH-LLVKDONJSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1nc(C(C)C)oc1C)C(=O)[O-]	ZINC000910925184	622488448	/nfs/dbraw/zinc/48/84/48/622488448.db2.gz	JDBPXCKTIUPTNR-NSHDSACASA-N	-1	0	294.351	2.646	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000910927139	622488765	/nfs/dbraw/zinc/48/87/65/622488765.db2.gz	XHHGJZIFEWJUMF-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc(F)c1C)C(=O)[O-]	ZINC000910926900	622488851	/nfs/dbraw/zinc/48/88/51/622488851.db2.gz	VSCGITNRPKMODS-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=C1CCC(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1	ZINC000910989756	622496125	/nfs/dbraw/zinc/49/61/25/622496125.db2.gz	DLDAJSVBJAVLLN-VQHVLOKHSA-N	-1	0	289.331	2.854	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1ccccc1C(=O)[O-]	ZINC000819803749	622560169	/nfs/dbraw/zinc/56/01/69/622560169.db2.gz	VRKMSOGTZHRHHX-LLVKDONJSA-N	-1	0	250.323	2.678	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H]1SC	ZINC000819809810	622560906	/nfs/dbraw/zinc/56/09/06/622560906.db2.gz	ZSOAMZGXEBJPRF-GFCCVEGCSA-N	-1	0	280.349	2.687	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000819812190	622561506	/nfs/dbraw/zinc/56/15/06/622561506.db2.gz	ABCQGYLLAPFYDI-NSHDSACASA-N	-1	0	268.313	2.817	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000819812189	622561517	/nfs/dbraw/zinc/56/15/17/622561517.db2.gz	ABCQGYLLAPFYDI-LLVKDONJSA-N	-1	0	268.313	2.817	20	30		CFEDRM
C=CCCCC(=O)Nc1nccc(Br)c1[O-]	ZINC000913026325	622822714	/nfs/dbraw/zinc/82/27/14/622822714.db2.gz	NYRYCUWGNTYENH-UHFFFAOYSA-N	-1	0	285.141	2.845	20	30		CFEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1[O-]	ZINC000821299605	622888338	/nfs/dbraw/zinc/88/83/38/622888338.db2.gz	QALHYFXLMRHGDM-CYBMUJFWSA-N	-1	0	291.322	2.671	20	30		CFEDRM
C=CCO[N-]C(=O)CSCc1ccc(Cl)cc1	ZINC000221964251	622935510	/nfs/dbraw/zinc/93/55/10/622935510.db2.gz	GVYJVGRLWAQLGA-UHFFFAOYSA-N	-1	0	271.769	2.807	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000156704722	622956135	/nfs/dbraw/zinc/95/61/35/622956135.db2.gz	UTBHQEJBFVZTDO-VOTSOKGWSA-N	-1	0	256.305	2.937	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058069816	623029395	/nfs/dbraw/zinc/02/93/95/623029395.db2.gz	NHLGKAKBTLONRW-UHFFFAOYSA-N	-1	0	279.427	2.749	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1C	ZINC000046929782	623104738	/nfs/dbraw/zinc/10/47/38/623104738.db2.gz	ZDADFQZQCDSGQD-JQWIXIFHSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000046929710	623104962	/nfs/dbraw/zinc/10/49/62/623104962.db2.gz	WASZNABPBBQVPG-UHFFFAOYSA-N	-1	0	255.339	2.749	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1	ZINC000046929693	623104830	/nfs/dbraw/zinc/10/48/30/623104830.db2.gz	IOIQYVKLOSTWMR-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccc(O)cc2)c1	ZINC000060078859	623117116	/nfs/dbraw/zinc/11/71/16/623117116.db2.gz	JMAZIJYBOSJVNT-RUDMXATFSA-N	-1	0	268.268	2.987	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000823369055	623299961	/nfs/dbraw/zinc/29/99/61/623299961.db2.gz	QTSLOXDYDFJFLU-PBQZMEPESA-N	-1	0	253.342	2.514	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000184773728	625646824	/nfs/dbraw/zinc/64/68/24/625646824.db2.gz	KLSMOXWMBPLZDP-HWKANZROSA-N	-1	0	284.271	2.900	20	30		CFEDRM
C=C(C)CO[N-]C(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2	ZINC000824028436	623436038	/nfs/dbraw/zinc/43/60/38/623436038.db2.gz	IKMUYAGCVQYUDG-NSHDSACASA-N	-1	0	290.363	2.540	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1	ZINC000824033963	623437688	/nfs/dbraw/zinc/43/76/88/623437688.db2.gz	WNBPYBBKIQWJMJ-QMMMGPOBSA-N	-1	0	290.697	2.758	20	30		CFEDRM
C=CCC1(NC(=O)c2cc(F)cc(F)c2[O-])CCOCC1	ZINC000825208929	623650124	/nfs/dbraw/zinc/65/01/24/623650124.db2.gz	ZBQIIVXGOMXNPU-UHFFFAOYSA-N	-1	0	297.301	2.526	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000825272364	623662473	/nfs/dbraw/zinc/66/24/73/623662473.db2.gz	KBNBBSLBIXDVRB-MNOVXSKESA-N	-1	0	291.326	2.570	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000193368625	623982688	/nfs/dbraw/zinc/98/26/88/623982688.db2.gz	PUJAIXMESXUYEU-HNNXBMFYSA-N	-1	0	286.375	2.932	20	30		CFEDRM
N#CCc1ccc(NCc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000185150054	625690620	/nfs/dbraw/zinc/69/06/20/625690620.db2.gz	GRKZGRNCBGCXBF-UHFFFAOYSA-N	-1	0	283.287	2.979	20	30		CFEDRM
CCCCC1(C(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000828148551	624185828	/nfs/dbraw/zinc/18/58/28/624185828.db2.gz	QSUKQGUBKWJEOO-UHFFFAOYSA-N	-1	0	258.321	2.939	20	30		CFEDRM
N#CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000915936031	624195120	/nfs/dbraw/zinc/19/51/20/624195120.db2.gz	MRMMJTCZFMDFQE-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000915987847	624205100	/nfs/dbraw/zinc/20/51/00/624205100.db2.gz	LIPKFCVJJGONOJ-ARJAWSKDSA-N	-1	0	276.317	2.682	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1	ZINC000916134795	624224421	/nfs/dbraw/zinc/22/44/21/624224421.db2.gz	DGDJNFWEFJOIHQ-KMKOMSMNSA-N	-1	0	298.294	2.752	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccccc2[N+](=O)[O-])cc1	ZINC000916240906	624230140	/nfs/dbraw/zinc/23/01/40/624230140.db2.gz	UZHWCGMCXIMBGD-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(F)cc2)cc1	ZINC000916268297	624233711	/nfs/dbraw/zinc/23/37/11/624233711.db2.gz	WZHZTQMVALMRER-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=C[C@H]1CC=CCC1	ZINC000916305216	624238275	/nfs/dbraw/zinc/23/82/75/624238275.db2.gz	MOOFHDPPWQISSN-ZETCQYMHSA-N	-1	0	276.287	2.776	20	30		CFEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000916892287	624291172	/nfs/dbraw/zinc/29/11/72/624291172.db2.gz	DLJMCHVNLYZFGP-OAHLLOKOSA-N	-1	0	284.359	2.766	20	30		CFEDRM
CCC[C@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919231866	624539001	/nfs/dbraw/zinc/53/90/01/624539001.db2.gz	ZMQCMKHYQFEPEC-GXSJLCMTSA-N	-1	0	294.376	2.607	20	30		CFEDRM
Cc1ccc(CCC(C)N=Nc2nnc(C)c(=O)[n-]2)cc1	ZINC000920363623	624714413	/nfs/dbraw/zinc/71/44/13/624714413.db2.gz	CVRFGEULSWMADK-UHFFFAOYSA-N	-1	0	285.351	2.615	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnn(C)c1	ZINC000920827164	624770492	/nfs/dbraw/zinc/77/04/92/624770492.db2.gz	VBKRYOHFOHNXEZ-UHFFFAOYSA-N	-1	0	292.726	2.608	20	30		CFEDRM
C#CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000920986161	624794380	/nfs/dbraw/zinc/79/43/80/624794380.db2.gz	CFBUYBXGFBMSOI-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000237945903	624990838	/nfs/dbraw/zinc/99/08/38/624990838.db2.gz	AFXZEMWQYNVHRX-ZDUSSCGKSA-N	-1	0	279.380	2.858	20	30		CFEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000069572538	625163676	/nfs/dbraw/zinc/16/36/76/625163676.db2.gz	FTRDUBQOMAEVKN-PKNBQFBNSA-N	-1	0	297.376	2.759	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000181871395	625225387	/nfs/dbraw/zinc/22/53/87/625225387.db2.gz	XJPWSXJYEHLBKR-NSHDSACASA-N	-1	0	263.403	2.591	20	30		CFEDRM
C#Cc1cccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1	ZINC000851595856	634448456	/nfs/dbraw/zinc/44/84/56/634448456.db2.gz	QWYYBDGIMOUXNO-UHFFFAOYSA-N	-1	0	283.327	2.642	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000851598212	634449816	/nfs/dbraw/zinc/44/98/16/634449816.db2.gz	OCZGTHSNFCJKDQ-KBPBESRZSA-N	-1	0	299.411	2.685	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000851598215	634450082	/nfs/dbraw/zinc/45/00/82/634450082.db2.gz	OCZGTHSNFCJKDQ-ZIAGYGMSSA-N	-1	0	299.411	2.685	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000185847084	625791434	/nfs/dbraw/zinc/79/14/34/625791434.db2.gz	CAXFTEYDKXVVMJ-UHFFFAOYSA-N	-1	0	296.282	2.558	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1	ZINC000851614226	634456742	/nfs/dbraw/zinc/45/67/42/634456742.db2.gz	UVQAQZQISKERFH-INIZCTEOSA-N	-1	0	295.354	2.560	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])C12CCC2	ZINC000834934176	625926516	/nfs/dbraw/zinc/92/65/16/625926516.db2.gz	CEIQKFCWYOHHIK-CYBMUJFWSA-N	-1	0	274.320	2.742	20	30		CFEDRM
C[C@@H](NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C)C(C)(C)C	ZINC000814937951	625929168	/nfs/dbraw/zinc/92/91/68/625929168.db2.gz	SLTLSSWKQYMNGY-HBNTYKKESA-N	-1	0	254.374	2.887	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(Cl)c1[O-])C(F)(F)F	ZINC000834999084	625948596	/nfs/dbraw/zinc/94/85/96/625948596.db2.gz	BIPUQCDWJILOBQ-ZCFIWIBFSA-N	-1	0	266.650	2.920	20	30		CFEDRM
CC(=NN[C@@H](C)C(F)(F)F)c1csc(C(=O)[O-])c1	ZINC000834999828	625948745	/nfs/dbraw/zinc/94/87/45/625948745.db2.gz	YHTWIYXKUODZHS-LURJTMIESA-N	-1	0	280.271	2.711	20	30		CFEDRM
C[C@H]1CSCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008150	625955202	/nfs/dbraw/zinc/95/52/02/625955202.db2.gz	GQTAVAKFHBVTSD-ZETCQYMHSA-N	-1	0	268.313	2.675	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000835008487	625955262	/nfs/dbraw/zinc/95/52/62/625955262.db2.gz	JWQVWFHIDGKGNJ-JSGCOSHPSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009566	625956255	/nfs/dbraw/zinc/95/62/55/625956255.db2.gz	VRSBNXYWNKDLDK-NSHDSACASA-N	-1	0	280.299	2.881	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCSCC2)cc1F	ZINC000835010038	625956971	/nfs/dbraw/zinc/95/69/71/625956971.db2.gz	MEATYVGIIQJQDA-UHFFFAOYSA-N	-1	0	268.313	2.819	20	30		CFEDRM
CC(C)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814892637	625965692	/nfs/dbraw/zinc/96/56/92/625965692.db2.gz	ZBFYONGTRBSCBQ-GHMZBOCLSA-N	-1	0	254.374	2.745	20	30		CFEDRM
C[C@@H]1C(=NN[C@@H]2CCOC2(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000835020113	625966299	/nfs/dbraw/zinc/96/62/99/625966299.db2.gz	FCPZDHSRTKUCMB-NTZNESFSSA-N	-1	0	296.411	2.656	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)cc1	ZINC000073838290	626396139	/nfs/dbraw/zinc/39/61/39/626396139.db2.gz	IWOBPZKSJMSYEE-UHFFFAOYSA-N	-1	0	269.366	2.818	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000923064059	626448478	/nfs/dbraw/zinc/44/84/78/626448478.db2.gz	LXCQMJQKXOGMQB-CQSZACIVSA-N	-1	0	260.293	2.572	20	30		CFEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1	ZINC000923082109	626449577	/nfs/dbraw/zinc/44/95/77/626449577.db2.gz	YUJLPHBVXQMFMA-NSHDSACASA-N	-1	0	298.342	2.897	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000923111940	626451354	/nfs/dbraw/zinc/45/13/54/626451354.db2.gz	UPKMPRFFQQFOMI-AWEZNQCLSA-N	-1	0	278.283	2.711	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NOC2CCCC2)c1	ZINC000774601179	626481980	/nfs/dbraw/zinc/48/19/80/626481980.db2.gz	AOUSDNUWGHHVDK-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CC(C(C)(C)C)C2)CC1	ZINC000838961352	626517087	/nfs/dbraw/zinc/51/70/87/626517087.db2.gz	HLYQOFYARZQOCS-UHFFFAOYSA-N	-1	0	299.436	2.613	20	30		CFEDRM
N#CC(=C([O-])C=C[C@H]1CCCO1)c1nc(C2CC2)cs1	ZINC000842942136	626523058	/nfs/dbraw/zinc/52/30/58/626523058.db2.gz	GJFDHDYPJIVIIB-GKKDLHFNSA-N	-1	0	288.372	2.932	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000839133396	626528043	/nfs/dbraw/zinc/52/80/43/626528043.db2.gz	RZMLUABFNAZWSJ-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#Cc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000839380792	626534704	/nfs/dbraw/zinc/53/47/04/626534704.db2.gz	CBCPOBQBKVGBJH-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
CCCCCCCCC(=O)NCCc1n[n-]c(=S)o1	ZINC000788146714	626537573	/nfs/dbraw/zinc/53/75/73/626537573.db2.gz	DWIJWOLUSNDDSI-UHFFFAOYSA-N	-1	0	285.413	2.768	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])[C@@H]1CCCCO1	ZINC000867013736	626540018	/nfs/dbraw/zinc/54/00/18/626540018.db2.gz	VTIXDTBPBYHBKE-AWEZNQCLSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000756961800	626542827	/nfs/dbraw/zinc/54/28/27/626542827.db2.gz	KSZCVLGSSUAJHW-MRVPVSSYSA-N	-1	0	288.244	2.865	20	30		CFEDRM
CCn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C2CC2)n1	ZINC000867013926	626546996	/nfs/dbraw/zinc/54/69/96/626546996.db2.gz	XMQSERXDXVIBOS-UHFFFAOYSA-N	-1	0	296.330	2.610	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2ccccc2C(=O)[O-])n1	ZINC000757451514	626552364	/nfs/dbraw/zinc/55/23/64/626552364.db2.gz	RPAZGPOPMDTLJV-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2cccc(OCC(=O)[O-])c2)c1	ZINC000757465059	626552819	/nfs/dbraw/zinc/55/28/19/626552819.db2.gz	KEYHPSZMOZBGIC-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
Cn1nnc2cc(/C=C/C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000757468352	626552909	/nfs/dbraw/zinc/55/29/09/626552909.db2.gz	QNPZKNFJNDLLRQ-ZZXKWVIFSA-N	-1	0	297.289	2.709	20	30		CFEDRM
Cc1cccc2ncc(/C=C\C(=O)c3ccc(O)cc3[O-])n21	ZINC000757467155	626552975	/nfs/dbraw/zinc/55/29/75/626552975.db2.gz	BFDZKJMEYXHJJX-YVMONPNESA-N	-1	0	294.310	2.950	20	30		CFEDRM
N#CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000757472573	626553109	/nfs/dbraw/zinc/55/31/09/626553109.db2.gz	OSTZKYPYOJZVSC-QPJJXVBHSA-N	-1	0	295.294	2.896	20	30		CFEDRM
COC(=O)c1occc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000757474467	626553175	/nfs/dbraw/zinc/55/31/75/626553175.db2.gz	BLPRNBVUGHBMTJ-DJWKRKHSSA-N	-1	0	290.246	2.807	20	30		CFEDRM
COC(=O)c1cc(/C=C\C(=O)c2ccc(C)cc2[O-])c[nH]1	ZINC000757476372	626553186	/nfs/dbraw/zinc/55/31/86/626553186.db2.gz	QJOJAPXLJYYGFG-XQRVVYSFSA-N	-1	0	285.299	2.711	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])[nH]1	ZINC000757474427	626553264	/nfs/dbraw/zinc/55/32/64/626553264.db2.gz	BGQBSTVNLZNORE-QPJJXVBHSA-N	-1	0	289.262	2.542	20	30		CFEDRM
Cc1nnc([S-])n(N=C[C@@H](C)CC2CCCCC2)c1=O	ZINC000758080874	626575980	/nfs/dbraw/zinc/57/59/80/626575980.db2.gz	ZTFJNNOCJKESFX-JTQLQIEISA-N	-1	0	294.424	2.676	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090734	626627836	/nfs/dbraw/zinc/62/78/36/626627836.db2.gz	LPKHYPFNKPASCQ-XQRVVYSFSA-N	-1	0	288.259	2.801	20	30		CFEDRM
Cc1noc(C(F)F)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759714085	626686196	/nfs/dbraw/zinc/68/61/96/626686196.db2.gz	TVYCRFILJDQRFF-UHFFFAOYSA-N	-1	0	293.229	2.750	20	30		CFEDRM
CCC(N=Nc1ncc(F)cn1)c1ccc(C(=O)[O-])cc1	ZINC000760253467	626724939	/nfs/dbraw/zinc/72/49/39/626724939.db2.gz	FZARECCBZYTZBM-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2sccc2c1	ZINC000761027318	626792349	/nfs/dbraw/zinc/79/23/49/626792349.db2.gz	OYDUSLJXKDFSGN-CYBMUJFWSA-N	-1	0	298.367	2.846	20	30		CFEDRM
CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)n1	ZINC000763106534	626963849	/nfs/dbraw/zinc/96/38/49/626963849.db2.gz	QBMWSJORKMYTHX-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CSCc3ccccc32)nc1	ZINC000763367679	626982790	/nfs/dbraw/zinc/98/27/90/626982790.db2.gz	GEVODAAGBSPRSY-UHFFFAOYSA-N	-1	0	299.355	2.843	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc3ncccc3c2)nc1	ZINC000763367639	626983155	/nfs/dbraw/zinc/98/31/55/626983155.db2.gz	FBYTUUGFGFSLAI-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)ccc2F)nc1	ZINC000763368905	626983193	/nfs/dbraw/zinc/98/31/93/626983193.db2.gz	PYZLOBLMRIWOEE-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCCc2ccccc2)nc1	ZINC000763369887	626983591	/nfs/dbraw/zinc/98/35/91/626983591.db2.gz	JQQQKORQVFLOJS-UHFFFAOYSA-N	-1	0	269.304	2.810	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C12CCC2	ZINC000763369949	626983729	/nfs/dbraw/zinc/98/37/29/626983729.db2.gz	ZXULGEMMXVCYME-GFCCVEGCSA-N	-1	0	289.335	2.527	20	30		CFEDRM
Cc1cccc2c1CCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372028	626983787	/nfs/dbraw/zinc/98/37/87/626983787.db2.gz	PHHUFLZHUSZBAF-UHFFFAOYSA-N	-1	0	281.315	2.851	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3ccccc32)nc1	ZINC000763371079	626983798	/nfs/dbraw/zinc/98/37/98/626983798.db2.gz	ZHHPOZGBUFUVAX-UHFFFAOYSA-N	-1	0	267.288	2.542	20	30		CFEDRM
Cc1cc(N=NC(C)c2cccc(C(=O)[O-])c2)nc(C)n1	ZINC000764682549	627083488	/nfs/dbraw/zinc/08/34/88/627083488.db2.gz	NMNJACOZJLTZFD-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
Cc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)o1	ZINC000767896920	627292471	/nfs/dbraw/zinc/29/24/71/627292471.db2.gz	NCVDHBWAEXHZOC-UHFFFAOYSA-N	-1	0	290.270	2.678	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cscc2Cl)C(=O)O1	ZINC000771845251	627636997	/nfs/dbraw/zinc/63/69/97/627636997.db2.gz	JSXPSJSUTGABHE-QAVQXKDTSA-N	-1	0	296.731	2.630	20	30		CFEDRM
CC(N=Nc1cnc2ccccc2n1)c1ccc(C(=O)[O-])o1	ZINC000773055696	627775727	/nfs/dbraw/zinc/77/57/27/627775727.db2.gz	QTNYRSYTGFRAHL-UHFFFAOYSA-N	-1	0	296.286	2.757	20	30		CFEDRM
Cn1nnc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773142937	627787922	/nfs/dbraw/zinc/78/79/22/627787922.db2.gz	JEVWJAXSYVCBIC-HYXAFXHYSA-N	-1	0	285.328	2.632	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2nccs2)c1	ZINC000774082158	627885721	/nfs/dbraw/zinc/88/57/21/627885721.db2.gz	OUUCVYJYEGKEKO-UHFFFAOYSA-N	-1	0	287.344	2.682	20	30		CFEDRM
COC(=O)c1coc(/C=C\C(=O)c2cc(F)ccc2[O-])c1	ZINC000774135745	627892383	/nfs/dbraw/zinc/89/23/83/627892383.db2.gz	NIIWLIAIWQUJAJ-HYXAFXHYSA-N	-1	0	290.246	2.807	20	30		CFEDRM
C[C@H](C#N)CN(C)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775655890	628049927	/nfs/dbraw/zinc/04/99/27/628049927.db2.gz	MHXHWEZXHXNPEB-MRVPVSSYSA-N	-1	0	256.708	2.776	20	30		CFEDRM
COc1cc(C)nc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000776757991	628175107	/nfs/dbraw/zinc/17/51/07/628175107.db2.gz	FCUNMNFSYUCTES-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccc(C(=O)[O-])c(F)c1	ZINC000776777632	628177131	/nfs/dbraw/zinc/17/71/31/628177131.db2.gz	UTCLXOJEJZGNAB-UHFFFAOYSA-N	-1	0	279.189	2.827	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2ncccc2Cl)ccc1O	ZINC000777433105	628224928	/nfs/dbraw/zinc/22/49/28/628224928.db2.gz	UKPTZEAPGZMKNM-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
CC(=NOCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000777455228	628227004	/nfs/dbraw/zinc/22/70/04/628227004.db2.gz	AVTXGGBLKWCXJC-UHFFFAOYSA-N	-1	0	292.213	2.993	20	30		CFEDRM
O=C([O-])c1ccccc1C=NOCCC(F)(F)F	ZINC000777459092	628228011	/nfs/dbraw/zinc/22/80/11/628228011.db2.gz	FYEWEHRBWRVORU-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2cc(Cl)ccn2)c1	ZINC000777906046	628263836	/nfs/dbraw/zinc/26/38/36/628263836.db2.gz	QYHWOIOQYJWDQY-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]OC1CCCCC1	ZINC000777964398	628268712	/nfs/dbraw/zinc/26/87/12/628268712.db2.gz	RRVQYGJQBUWHKF-LBPRGKRZSA-N	-1	0	288.347	2.706	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1	ZINC000778999614	628344208	/nfs/dbraw/zinc/34/42/08/628344208.db2.gz	NUFRNMWKDNHFHS-LLVKDONJSA-N	-1	0	273.254	2.956	20	30		CFEDRM
COc1ccc(NN=Cc2cccc(Cl)c2[O-])nc1	ZINC000780268202	628448611	/nfs/dbraw/zinc/44/86/11/628448611.db2.gz	GBSIWPMSBAQUOG-UHFFFAOYSA-N	-1	0	277.711	2.895	20	30		CFEDRM
Cc1cnc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000780604316	628481957	/nfs/dbraw/zinc/48/19/57/628481957.db2.gz	KMSBACHPCKCHMS-UHFFFAOYSA-N	-1	0	267.288	2.528	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OC3CCCC3)CC2)cc1	ZINC000780990724	628511054	/nfs/dbraw/zinc/51/10/54/628511054.db2.gz	SMYVMJAMQDZYRH-UHFFFAOYSA-N	-1	0	270.332	2.580	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1cccc(C(=O)[O-])c1	ZINC000781127964	628523980	/nfs/dbraw/zinc/52/39/80/628523980.db2.gz	RWOKWLLYFRHKDU-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC[C@H]1C[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000782023575	628598047	/nfs/dbraw/zinc/59/80/47/628598047.db2.gz	IBEFCIAGXHOXIJ-AAEUAGOBSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@]1(C)CCCO1	ZINC000782099330	628604440	/nfs/dbraw/zinc/60/44/40/628604440.db2.gz	XMQRRTWJTGFVSD-AWEZNQCLSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])c1csc(C=C2C(=O)c3ccccc3C2=O)c1	ZINC000782198978	628613694	/nfs/dbraw/zinc/61/36/94/628613694.db2.gz	ARIBSWORONUEIY-UHFFFAOYSA-N	-1	0	284.292	2.909	20	30		CFEDRM
CO[C@@H](c1ccccc1)C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000782266082	628621313	/nfs/dbraw/zinc/62/13/13/628621313.db2.gz	FWLQDUIPSBUJHF-OAHLLOKOSA-N	-1	0	299.330	2.955	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784830669	628844442	/nfs/dbraw/zinc/84/44/42/628844442.db2.gz	AVXVOYJTWZMBFS-CYBMUJFWSA-N	-1	0	294.310	2.571	20	30		CFEDRM
COc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1F	ZINC000785420767	628881381	/nfs/dbraw/zinc/88/13/81/628881381.db2.gz	CHHRILFXOLDUSB-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
CCCCC[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000788314485	629057776	/nfs/dbraw/zinc/05/77/76/629057776.db2.gz	DGWBEKPEQVDACE-ZDUSSCGKSA-N	-1	0	289.335	2.713	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCCC1CCOCC1	ZINC000788703206	629093923	/nfs/dbraw/zinc/09/39/23/629093923.db2.gz	ZOKZSEYBOCFYLY-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(Cl)n1	ZINC000788722394	629095100	/nfs/dbraw/zinc/09/51/00/629095100.db2.gz	SKFTUBQZUHVUAT-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOC2CCOCC2)c2ccccc21	ZINC000789050843	629120525	/nfs/dbraw/zinc/12/05/25/629120525.db2.gz	LYNMKZCRRXFOSR-AWEZNQCLSA-N	-1	0	289.331	2.548	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2nc(Cl)cs2)nc(C)n1	ZINC000789405058	629153771	/nfs/dbraw/zinc/15/37/71/629153771.db2.gz	YSYQUMUNFIEDFP-MRVPVSSYSA-N	-1	0	292.751	2.693	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccsc2Cl)nc1	ZINC000790169831	629215811	/nfs/dbraw/zinc/21/58/11/629215811.db2.gz	BSZYVSMEJUHNRP-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1cccc(Br)c1[O-]	ZINC000791742169	629350798	/nfs/dbraw/zinc/35/07/98/629350798.db2.gz	TVLIOTMQHKXKFK-VIFPVBQESA-N	-1	0	296.164	2.686	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC(CC)CC)CCC1	ZINC000791804732	629359957	/nfs/dbraw/zinc/35/99/57/629359957.db2.gz	USYVTQROIJIURL-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CC[C@H](NN=C(C)[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC000793054776	629480938	/nfs/dbraw/zinc/48/09/38/629480938.db2.gz	GYXPQASFKSSLFH-HZMBPMFUSA-N	-1	0	278.352	2.627	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(CC(C)C)cc1)C(=O)[O-]	ZINC000793057959	629481691	/nfs/dbraw/zinc/48/16/91/629481691.db2.gz	SCXYTGJDTGCHOG-AWEZNQCLSA-N	-1	0	262.353	2.672	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(SC)c(OC)c1)C(=O)[O-]	ZINC000793071919	629482923	/nfs/dbraw/zinc/48/29/23/629482923.db2.gz	NFBSNGMUWXAGKA-NSHDSACASA-N	-1	0	296.392	2.594	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000793070745	629482960	/nfs/dbraw/zinc/48/29/60/629482960.db2.gz	DKSLSFKDBMPGDL-CYBMUJFWSA-N	-1	0	262.353	2.771	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(SC)c(OC)c1)C(=O)[O-]	ZINC000793071918	629483026	/nfs/dbraw/zinc/48/30/26/629483026.db2.gz	NFBSNGMUWXAGKA-LLVKDONJSA-N	-1	0	296.392	2.594	20	30		CFEDRM
CC[C@H](NN=Cc1cnc(-c2cccs2)s1)C(=O)[O-]	ZINC000793073380	629483686	/nfs/dbraw/zinc/48/36/86/629483686.db2.gz	UIYUKVBWXLYQCV-VIFPVBQESA-N	-1	0	295.389	2.658	20	30		CFEDRM
CCCCOc1ccccc1C=NN[C@@H](CC)C(=O)[O-]	ZINC000793079780	629484172	/nfs/dbraw/zinc/48/41/72/629484172.db2.gz	TZHGFUBXKWIJRM-ZDUSSCGKSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@](C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793077340	629484562	/nfs/dbraw/zinc/48/45/62/629484562.db2.gz	DJXHWPCVSASJLK-GOEBONIOSA-N	-1	0	274.364	2.937	20	30		CFEDRM
C[C@@H](NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12)C(C)(C)C	ZINC000793116974	629489418	/nfs/dbraw/zinc/48/94/18/629489418.db2.gz	WAMBSTYJBWJZGH-SECBINFHSA-N	-1	0	288.351	2.619	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccccc1OCC(=O)[O-]	ZINC000793163223	629495999	/nfs/dbraw/zinc/49/59/99/629495999.db2.gz	HMENPYRNGVUIPT-LLVKDONJSA-N	-1	0	265.309	2.547	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccsc2)CCCC1	ZINC000835229523	629543387	/nfs/dbraw/zinc/54/33/87/629543387.db2.gz	VWFZXQVLNBPHNR-UHFFFAOYSA-N	-1	0	299.417	2.690	20	30		CFEDRM
CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736103	629589483	/nfs/dbraw/zinc/58/94/83/629589483.db2.gz	VCQLMALGVUGMEV-YPMHNXCESA-N	-1	0	290.363	2.780	20	30		CFEDRM
CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000793734472	629589630	/nfs/dbraw/zinc/58/96/30/629589630.db2.gz	BQAQQYUGNVJSEJ-WCQYABFASA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccnc(F)c1	ZINC000794718557	629679186	/nfs/dbraw/zinc/67/91/86/629679186.db2.gz	AXDBAYLUTFMXHT-IWQZZHSRSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccnc(F)c1	ZINC000794721110	629679254	/nfs/dbraw/zinc/67/92/54/629679254.db2.gz	IGTUOOGYZHSFPE-RJRFIUFISA-N	-1	0	288.234	2.731	20	30		CFEDRM
Cc1nnc([S-])n(N=CC2CCC(C(C)C)CC2)c1=O	ZINC000794862974	629696684	/nfs/dbraw/zinc/69/66/84/629696684.db2.gz	ARTZJDCRTCAWDI-UHFFFAOYSA-N	-1	0	294.424	2.532	20	30		CFEDRM
C=CCNN=C(C)c1cc(Br)c(F)cc1[O-]	ZINC000794993476	629718859	/nfs/dbraw/zinc/71/88/59/629718859.db2.gz	XVAKXOSIYVXLOU-UHFFFAOYSA-N	-1	0	287.132	2.793	20	30		CFEDRM
O=C([O-])[C@H]1CCC(N=Nc2cccc(F)n2)c2ccccc21	ZINC000795009574	629723272	/nfs/dbraw/zinc/72/32/72/629723272.db2.gz	FGLYKSFNZHQKMH-LBPRGKRZSA-N	-1	0	299.305	2.999	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H]2CCC)CC1	ZINC000835450331	629734285	/nfs/dbraw/zinc/73/42/85/629734285.db2.gz	ZNRALEUAPPUVMD-STQMWFEESA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]2CCC)CC1	ZINC000835450319	629734562	/nfs/dbraw/zinc/73/45/62/629734562.db2.gz	ZNRALEUAPPUVMD-CHWSQXEVSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]2CCC)CC1	ZINC000835450327	629735636	/nfs/dbraw/zinc/73/56/36/629735636.db2.gz	ZNRALEUAPPUVMD-QWHCGFSZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2occ3c2CCOC3)n1	ZINC000796738361	629957920	/nfs/dbraw/zinc/95/79/20/629957920.db2.gz	JADIVLNGMTVWRB-LLVKDONJSA-N	-1	0	288.328	2.607	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=COCC2)s1	ZINC000797568385	630082706	/nfs/dbraw/zinc/08/27/06/630082706.db2.gz	HXLZVOGMMQNMFI-SNVBAGLBSA-N	-1	0	276.361	2.921	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(Cl)c1[O-]	ZINC000798041133	630144157	/nfs/dbraw/zinc/14/41/57/630144157.db2.gz	YAAKMQSTMULPLY-YGRLFVJLSA-N	-1	0	295.766	2.757	20	30		CFEDRM
Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1C#N	ZINC000799729505	630340746	/nfs/dbraw/zinc/34/07/46/630340746.db2.gz	UFZVTHKVLAROHP-UHFFFAOYSA-N	-1	0	287.706	2.873	20	30		CFEDRM
COc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1F	ZINC000799865267	630349702	/nfs/dbraw/zinc/34/97/02/630349702.db2.gz	YCPZNJUFVGVUOZ-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
Cc1cc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(O)c1	ZINC000799884813	630351621	/nfs/dbraw/zinc/35/16/21/630351621.db2.gz	LCQZLQBGEIJHQT-UHFFFAOYSA-N	-1	0	299.330	2.938	20	30		CFEDRM
Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)oc1C	ZINC000799884820	630351711	/nfs/dbraw/zinc/35/17/11/630351711.db2.gz	LLDDNACZOMJEPZ-UHFFFAOYSA-N	-1	0	273.292	2.826	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccccc2F)cc1C(=O)[O-]	ZINC000800810085	630406763	/nfs/dbraw/zinc/40/67/63/630406763.db2.gz	KXNPCEGTGBTEKT-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
Cc1[nH]c(C=NNCc2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000800814500	630407489	/nfs/dbraw/zinc/40/74/89/630407489.db2.gz	PYWBINAGMTZZQN-UHFFFAOYSA-N	-1	0	291.738	2.798	20	30		CFEDRM
Cc1nc2c(cccc2C(=O)Nc2cc(C#N)ccc2[O-])[nH]1	ZINC000801932651	630490735	/nfs/dbraw/zinc/49/07/35/630490735.db2.gz	SVCOKCSIQNCEBZ-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)nn1	ZINC000806571994	630813793	/nfs/dbraw/zinc/81/37/93/630813793.db2.gz	SJMXVYCAYMHXKW-XQRVVYSFSA-N	-1	0	275.283	2.600	20	30		CFEDRM
C#CCC(CC#C)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000807261394	630871356	/nfs/dbraw/zinc/87/13/56/630871356.db2.gz	XQIFETJPTNSIMQ-UHFFFAOYSA-N	-1	0	279.698	2.786	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(F)cc2)CCCC1	ZINC000837043310	630943371	/nfs/dbraw/zinc/94/33/71/630943371.db2.gz	ODILMNPQHBSSHF-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	ZINC000837043656	630943627	/nfs/dbraw/zinc/94/36/27/630943627.db2.gz	DQGWGABKRXSHGX-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	ZINC000837045336	630944320	/nfs/dbraw/zinc/94/43/20/630944320.db2.gz	UAIPKKMNNFNYJZ-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=CCC(F)(F)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837744923	631121431	/nfs/dbraw/zinc/12/14/31/631121431.db2.gz	NVEOTSSSSLOGHC-UHFFFAOYSA-N	-1	0	287.218	2.555	20	30		CFEDRM
CC[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710127	631175682	/nfs/dbraw/zinc/17/56/82/631175682.db2.gz	HYUSBLGDHAVUOK-KYHDUPIVSA-N	-1	0	298.726	2.940	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(C3CC3)cc2)C(=O)O1	ZINC000840715631	631176430	/nfs/dbraw/zinc/17/64/30/631176430.db2.gz	QNIXVSRPTJMURP-QVNOTHCHSA-N	-1	0	296.322	2.792	20	30		CFEDRM
C#Cc1cccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)c1	ZINC000840732289	631177259	/nfs/dbraw/zinc/17/72/59/631177259.db2.gz	WAOQUQBBJLXYPM-UHFFFAOYSA-N	-1	0	299.370	2.709	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000042274064	649997519	/nfs/dbraw/zinc/99/75/19/649997519.db2.gz	LUPXDTJIUHOVTC-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042319787	649998215	/nfs/dbraw/zinc/99/82/15/649998215.db2.gz	KDLCUDWFOWALDV-CSKARUKUSA-N	-1	0	291.328	2.893	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C)CCCCC2)CC1	ZINC000810986258	631491173	/nfs/dbraw/zinc/49/11/73/631491173.db2.gz	SWEBNHORLFREKJ-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000810984287	631491183	/nfs/dbraw/zinc/49/11/83/631491183.db2.gz	YMRTVQLUYZUREW-VXGBXAGGSA-N	-1	0	299.436	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C\C(C)(C)C)CC1	ZINC000810982048	631491198	/nfs/dbraw/zinc/49/11/98/631491198.db2.gz	XRSUBANAYBPYQD-KHPPLWFESA-N	-1	0	285.409	2.534	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)CC1	ZINC000810983024	631491291	/nfs/dbraw/zinc/49/12/91/631491291.db2.gz	DMTVOCORFXCPOY-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC[C@H]2CCSC2)c(Cl)c1	ZINC000811660463	631598935	/nfs/dbraw/zinc/59/89/35/631598935.db2.gz	NQBFHXWVFXIMSH-SECBINFHSA-N	-1	0	298.795	2.715	20	30		CFEDRM
C[C@@H](COc1ccccc1)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000811666025	631601180	/nfs/dbraw/zinc/60/11/80/631601180.db2.gz	WMGUZGBANKNWHL-ZDUSSCGKSA-N	-1	0	298.342	2.776	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000811687670	631606416	/nfs/dbraw/zinc/60/64/16/631606416.db2.gz	HSENQRXDLXQDES-AATRIKPKSA-N	-1	0	298.323	2.538	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2nc(C#N)cs2)c([O-])c1	ZINC000811694301	631606968	/nfs/dbraw/zinc/60/69/68/631606968.db2.gz	UYBMTSNZLUOLSE-SNAWJCMRSA-N	-1	0	270.313	2.925	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(F)cc2[O-])n1	ZINC000811693473	631607065	/nfs/dbraw/zinc/60/70/65/631607065.db2.gz	NCJFEFDVKZLBGB-ARJAWSKDSA-N	-1	0	274.276	2.756	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811821969	631628123	/nfs/dbraw/zinc/62/81/23/631628123.db2.gz	XDTLQIDHJRUXTF-QMMMGPOBSA-N	-1	0	267.712	2.733	20	30		CFEDRM
CC(C)Cn1nccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000842522671	631652058	/nfs/dbraw/zinc/65/20/58/631652058.db2.gz	OAELBNCQEVMBIW-UHFFFAOYSA-N	-1	0	286.335	2.683	20	30		CFEDRM
Cc1nc(C=NNc2ccccc2C(=O)[O-])cs1	ZINC000812444477	631719103	/nfs/dbraw/zinc/71/91/03/631719103.db2.gz	ALQIYLAUWDISGG-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
COc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000812442293	631719213	/nfs/dbraw/zinc/71/92/13/631719213.db2.gz	XOWNPRITBRSWSL-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
C#CCO[N-]C(=O)C1c2ccccc2Oc2ccccc21	ZINC000812785470	631774207	/nfs/dbraw/zinc/77/42/07/631774207.db2.gz	RNJYMGMTWGAERO-UHFFFAOYSA-N	-1	0	279.295	2.605	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]OCCOC(C)C)c1ccccc1	ZINC000812805355	631785002	/nfs/dbraw/zinc/78/50/02/631785002.db2.gz	LYAIGXSFYAJEAL-OAHLLOKOSA-N	-1	0	277.364	2.819	20	30		CFEDRM
O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc([O-])c(F)c1	ZINC000814188723	632027521	/nfs/dbraw/zinc/02/75/21/632027521.db2.gz	SCBBMOURMFMADA-HNQUOIGGSA-N	-1	0	296.248	2.889	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(C(F)(F)F)CCCC1	ZINC000856027275	635703381	/nfs/dbraw/zinc/70/33/81/635703381.db2.gz	GMCIEHRNYDFGLP-UHFFFAOYSA-N	-1	0	251.248	2.733	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2C(C)(C)C#N)n1	ZINC000814681279	632106878	/nfs/dbraw/zinc/10/68/78/632106878.db2.gz	FEODQHINEBKSLQ-JTQLQIEISA-N	-1	0	273.340	2.608	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC000814682879	632108077	/nfs/dbraw/zinc/10/80/77/632108077.db2.gz	SVQMWPFPHXFXRM-NOZJJQNGSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000814682753	632108122	/nfs/dbraw/zinc/10/81/22/632108122.db2.gz	QJWAEKRXCHRTFU-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccccc2[N+](=O)[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814685617	632108626	/nfs/dbraw/zinc/10/86/26/632108626.db2.gz	LETXYEJCHYEMHC-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2nccs2)ccc1Cl	ZINC000814689789	632108959	/nfs/dbraw/zinc/10/89/59/632108959.db2.gz	GEFWFWWFIYDJIN-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2cccc([N+](=O)[O-])c2)c1	ZINC000814694405	632109580	/nfs/dbraw/zinc/10/95/80/632109580.db2.gz	IVKMXWOLDRVGDT-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1CC(=O)[O-]	ZINC000814694595	632109742	/nfs/dbraw/zinc/10/97/42/632109742.db2.gz	QVCZBLWLGFWQFU-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1CC(=O)[O-]	ZINC000814694597	632109851	/nfs/dbraw/zinc/10/98/51/632109851.db2.gz	QVCZBLWLGFWQFU-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
Cc1sc2ncnc(N=NC3CC(C(=O)[O-])C3)c2c1C	ZINC000814726598	632114183	/nfs/dbraw/zinc/11/41/83/632114183.db2.gz	YLRKTDJXYKAMMG-UHFFFAOYSA-N	-1	0	290.348	2.571	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H](Cc3ccccc3)C2)[n-]c1=O	ZINC000814735065	632115893	/nfs/dbraw/zinc/11/58/93/632115893.db2.gz	OUUMJBYHZGGTAK-CYBMUJFWSA-N	-1	0	297.362	2.696	20	30		CFEDRM
CC(C)CCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000814781112	632122840	/nfs/dbraw/zinc/12/28/40/632122840.db2.gz	WZZBURYUGRZFCI-UHFFFAOYSA-N	-1	0	275.377	2.955	20	30		CFEDRM
CC(C)(C#N)[C@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000814783237	632122852	/nfs/dbraw/zinc/12/28/52/632122852.db2.gz	ZETWVVMPPKHCNN-QMMMGPOBSA-N	-1	0	293.758	2.953	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(F)c(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814809009	632130021	/nfs/dbraw/zinc/13/00/21/632130021.db2.gz	WPAYGGWEWWIJCI-KOLCDFICSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@H]1C(N=Nc2cnc3ccccc3n2)CC[C@H]1CC(=O)[O-]	ZINC000814830874	632133300	/nfs/dbraw/zinc/13/33/00/632133300.db2.gz	UOEQXEPLNPWKKG-MNOVXSKESA-N	-1	0	298.346	2.919	20	30		CFEDRM
CC(=NNC1CCCC1)c1cc(C(=O)[O-])cs1	ZINC000814832689	632134205	/nfs/dbraw/zinc/13/42/05/632134205.db2.gz	KPRZPDWCQCXALG-UHFFFAOYSA-N	-1	0	252.339	2.703	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC(C)CC2(C(=O)[O-])CCC2)n1	ZINC000814855158	632139874	/nfs/dbraw/zinc/13/98/74/632139874.db2.gz	HEVNPMWINCXGOF-UHFFFAOYSA-N	-1	0	296.758	2.871	20	30		CFEDRM
CC(=NN=Cc1cc(Cl)c(F)cc1[O-])c1cnccn1	ZINC000814861512	632140502	/nfs/dbraw/zinc/14/05/02/632140502.db2.gz	VVWRLMXPOSHEQT-UHFFFAOYSA-N	-1	0	292.701	2.818	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814872897	632144666	/nfs/dbraw/zinc/14/46/66/632144666.db2.gz	CVAAKTZLDNYMRK-OCCSQVGLSA-N	-1	0	274.364	2.961	20	30		CFEDRM
Cc1cccc(CNN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814873018	632145184	/nfs/dbraw/zinc/14/51/84/632145184.db2.gz	IHGIQUQHXMZDGZ-UHFFFAOYSA-N	-1	0	268.316	2.817	20	30		CFEDRM
CC(=NNCc1ccc(C#N)cc1)c1cc(C(=O)[O-])cs1	ZINC000814881650	632146804	/nfs/dbraw/zinc/14/68/04/632146804.db2.gz	TVCBUWCPEFAKNC-UHFFFAOYSA-N	-1	0	299.355	2.832	20	30		CFEDRM
COc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814884945	632148327	/nfs/dbraw/zinc/14/83/27/632148327.db2.gz	FNUBRDQPDTXZAL-QWRGUYRKSA-N	-1	0	276.336	2.984	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1	ZINC000814887502	632149815	/nfs/dbraw/zinc/14/98/15/632149815.db2.gz	JSNZMVWLWCSPTI-DGCLKSJQSA-N	-1	0	260.337	2.653	20	30		CFEDRM
COC(=O)c1cccc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814900858	632155825	/nfs/dbraw/zinc/15/58/25/632155825.db2.gz	LHNXCCIWKCBAHX-UHFFFAOYSA-N	-1	0	298.298	2.617	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccnc(F)c2)CC[C@H]1C(=O)[O-]	ZINC000814902632	632156537	/nfs/dbraw/zinc/15/65/37/632156537.db2.gz	RQWHQSXWAFGRST-GZMMTYOYSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(=NOCC(F)F)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814903928	632157655	/nfs/dbraw/zinc/15/76/55/632157655.db2.gz	IFPVWFQKARJCGK-SECBINFHSA-N	-1	0	287.262	2.544	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814916171	632163223	/nfs/dbraw/zinc/16/32/23/632163223.db2.gz	CGBODNZUNGFDJU-GHMZBOCLSA-N	-1	0	290.367	2.889	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCCC(F)(F)F)c1Cl	ZINC000814920243	632165154	/nfs/dbraw/zinc/16/51/54/632165154.db2.gz	GSAYYLUGOMMPAS-UHFFFAOYSA-N	-1	0	294.660	2.914	20	30		CFEDRM
C[C@H]1CC(N=Nc2ncccc2F)CC[C@H]1C(=O)[O-]	ZINC000814927559	632168520	/nfs/dbraw/zinc/16/85/20/632168520.db2.gz	UQXZECIRNIUGSW-WCBMZHEXSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C=CCNN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814927894	632168730	/nfs/dbraw/zinc/16/87/30/632168730.db2.gz	LYFBXRSROBEMLC-UHFFFAOYSA-N	-1	0	286.331	2.868	20	30		CFEDRM
C[C@@H]1C(=NN[C@@H]2CCSC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933558	632171736	/nfs/dbraw/zinc/17/17/36/632171736.db2.gz	RUFAMENWWXECDG-MXWKQRLJSA-N	-1	0	284.425	2.594	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCC1CCCC1	ZINC000814933716	632172067	/nfs/dbraw/zinc/17/20/67/632172067.db2.gz	YDUIFRUUBSOSSP-CMPLNLGQSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CCC(=NNC(C)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000814936629	632173384	/nfs/dbraw/zinc/17/33/84/632173384.db2.gz	COGCJAYRICYUTO-CQSZACIVSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@@H](NN=C1CCC(c2ccc(O)cc2)CC1)C(=O)[O-]	ZINC000814936834	632173708	/nfs/dbraw/zinc/17/37/08/632173708.db2.gz	LLWREMHYUUQWMU-JOPIAHFSSA-N	-1	0	290.363	2.859	20	30		CFEDRM
C[C@@H](NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C	ZINC000814937342	632174265	/nfs/dbraw/zinc/17/42/65/632174265.db2.gz	CMVHZAWAIOTZRD-CKYFFXLPSA-N	-1	0	254.374	2.887	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@@H]1c1ccccc1Cl	ZINC000814959830	632179843	/nfs/dbraw/zinc/17/98/43/632179843.db2.gz	DYBUHBHGDDYYFI-SNVBAGLBSA-N	-1	0	266.728	2.638	20	30		CFEDRM
CC(CC12CC3CC(CC(C3)C1)C2)=NNCC(=O)[O-]	ZINC000814958896	632179903	/nfs/dbraw/zinc/17/99/03/632179903.db2.gz	ZESJTBFCOOGDIL-UHFFFAOYSA-N	-1	0	264.369	2.643	20	30		CFEDRM
COCC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000844587948	632255686	/nfs/dbraw/zinc/25/56/86/632255686.db2.gz	KREGMDCEUOQSOJ-UHFFFAOYSA-N	-1	0	279.340	2.630	20	30		CFEDRM
C=C(C)CON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000844619426	632264900	/nfs/dbraw/zinc/26/49/00/632264900.db2.gz	DKKGHERLHBLQIX-LBPRGKRZSA-N	-1	0	277.320	2.855	20	30		CFEDRM
C=C[C@H](C)ON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000844619811	632265017	/nfs/dbraw/zinc/26/50/17/632265017.db2.gz	DADGGMKPALXMOM-JTQLQIEISA-N	-1	0	259.305	2.821	20	30		CFEDRM
Cc1c(NN=C2CCCc3c[nH]nc32)cccc1C(=O)[O-]	ZINC000844622466	632265884	/nfs/dbraw/zinc/26/58/84/632265884.db2.gz	CTAPYBJUIAVOEU-UHFFFAOYSA-N	-1	0	284.319	2.569	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000844621202	632266292	/nfs/dbraw/zinc/26/62/92/632266292.db2.gz	WDPKJJQGVQNHDD-PWSUYJOCSA-N	-1	0	277.320	2.854	20	30		CFEDRM
Cc1c(N=NC(C)CCn2cccn2)cccc1C(=O)[O-]	ZINC000844622905	632266691	/nfs/dbraw/zinc/26/66/91/632266691.db2.gz	FKSRAOGLCQMIAL-UHFFFAOYSA-N	-1	0	286.335	2.768	20	30		CFEDRM
Cc1c(N=NCCC2CCOCC2)cccc1C(=O)[O-]	ZINC000844624008	632267955	/nfs/dbraw/zinc/26/79/55/632267955.db2.gz	RSNMBDADDKYPCX-UHFFFAOYSA-N	-1	0	276.336	2.908	20	30		CFEDRM
C=C[C@@H](C)ONC(=O)Nc1nc(CC(F)(F)F)cs1	ZINC000844691521	632285312	/nfs/dbraw/zinc/28/53/12/632285312.db2.gz	HVCUNTLHYBZAHE-ZCFIWIBFSA-N	-1	0	295.286	2.876	20	30		CFEDRM
CCCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000815877815	632328009	/nfs/dbraw/zinc/32/80/09/632328009.db2.gz	IIJVXOCOTVSRAK-UHFFFAOYSA-N	-1	0	285.303	2.765	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000816803041	632524373	/nfs/dbraw/zinc/52/43/73/632524373.db2.gz	JLBUXVPIWNYTCQ-UHFFFAOYSA-N	-1	0	264.712	2.587	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845844924	632579526	/nfs/dbraw/zinc/57/95/26/632579526.db2.gz	KTRUADRDZSPYSK-ZDUSSCGKSA-N	-1	0	294.310	2.606	20	30		CFEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OCCC3CC3)CC2)c1	ZINC000817430011	632631983	/nfs/dbraw/zinc/63/19/83/632631983.db2.gz	QSARLINPIVRYGA-UHFFFAOYSA-N	-1	0	288.322	2.577	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Cl	ZINC000846152487	632649005	/nfs/dbraw/zinc/64/90/05/632649005.db2.gz	ULQKCJQNCFOPER-JTQLQIEISA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(Cl)ccc(C)c1C	ZINC000846156843	632649201	/nfs/dbraw/zinc/64/92/01/632649201.db2.gz	PENIWUOMRIYZOL-SECBINFHSA-N	-1	0	296.754	2.518	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1C	ZINC000817714459	632690168	/nfs/dbraw/zinc/69/01/68/632690168.db2.gz	ULDUBRDMXZYPQC-CYBMUJFWSA-N	-1	0	290.338	2.763	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846531505	632723610	/nfs/dbraw/zinc/72/36/10/632723610.db2.gz	CHXXELLGZBVXCJ-MRXNPFEDSA-N	-1	0	295.379	2.679	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@](O)(CC)c1cccc(Cl)c1	ZINC000846533146	632723704	/nfs/dbraw/zinc/72/37/04/632723704.db2.gz	AIFARYCKHLNFDA-CQSZACIVSA-N	-1	0	283.755	2.562	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)OC1CCCCCC1	ZINC000846536485	632725347	/nfs/dbraw/zinc/72/53/47/632725347.db2.gz	NASKUXIEXLLYNO-LBPRGKRZSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCc2c1cccc2Cl	ZINC000846535541	632725897	/nfs/dbraw/zinc/72/58/97/632725897.db2.gz	DRKDUUBJLQXJOC-GFCCVEGCSA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(Cl)c(Cl)c1	ZINC000846537688	632726236	/nfs/dbraw/zinc/72/62/36/632726236.db2.gz	JJEYUXHUNXYFIY-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1cccc(Cl)c1)N(C)C	ZINC000846537762	632726489	/nfs/dbraw/zinc/72/64/89/632726489.db2.gz	CSMWYYAEMCQHRO-CYBMUJFWSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1c(Cl)cccc1Cl	ZINC000846542316	632730783	/nfs/dbraw/zinc/73/07/83/632730783.db2.gz	ZIDMDQZQBACNQV-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccccc1C(C)(C)C	ZINC000846543301	632732282	/nfs/dbraw/zinc/73/22/82/632732282.db2.gz	NJYSXFDPLNGOHE-LBPRGKRZSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000846544652	632732982	/nfs/dbraw/zinc/73/29/82/632732982.db2.gz	XUXMKTYQJFFOPZ-ZJUUUORDSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Oc1cccc(C)c1	ZINC000846545011	632733035	/nfs/dbraw/zinc/73/30/35/632733035.db2.gz	DJFDBHLWVOVNPU-TZMCWYRMSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1	ZINC000846548158	632736786	/nfs/dbraw/zinc/73/67/86/632736786.db2.gz	IBSQHPPVCXOPQO-RISCZKNCSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccc(C)cc1	ZINC000846547704	632736879	/nfs/dbraw/zinc/73/68/79/632736879.db2.gz	FGSPFNDFFVGWIH-JTQLQIEISA-N	-1	0	255.264	2.709	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)SCc1ccccc1	ZINC000846549380	632737800	/nfs/dbraw/zinc/73/78/00/632737800.db2.gz	JVHBHYHNEFPBAG-NEPJUHHUSA-N	-1	0	265.378	2.931	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1SCCc2ccccc21	ZINC000846549893	632738902	/nfs/dbraw/zinc/73/89/02/632738902.db2.gz	ZZSLXUICVFRADY-GXFFZTMASA-N	-1	0	263.362	2.639	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(C(C)C)c(C)s1	ZINC000846556171	632741602	/nfs/dbraw/zinc/74/16/02/632741602.db2.gz	YUYSDOMKYPSWNX-VIFPVBQESA-N	-1	0	268.382	2.740	20	30		CFEDRM
C#CCONC(=O)CCCc1ccc2c(c1)CCCC2	ZINC000846653222	632765614	/nfs/dbraw/zinc/76/56/14/632765614.db2.gz	NCCRMDCCIDWMNX-UHFFFAOYSA-N	-1	0	271.360	2.569	20	30		CFEDRM
C=CCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000846715547	632779601	/nfs/dbraw/zinc/77/96/01/632779601.db2.gz	GTEHVJWCSRJHMD-UONOGXRCSA-N	-1	0	273.332	2.772	20	30		CFEDRM
CC(C)(C[N-]C(=O)C(F)(F)C(F)F)CC(F)(F)F	ZINC000856518846	635832047	/nfs/dbraw/zinc/83/20/47/635832047.db2.gz	AYHVSPCKJSUNOZ-UHFFFAOYSA-N	-1	0	283.187	2.982	20	30		CFEDRM
C=CCONC(=O)C[C@H]1OCc2cc(Cl)ccc21	ZINC000848200246	633216688	/nfs/dbraw/zinc/21/66/88/633216688.db2.gz	JNRQHHWGJLFRBL-GFCCVEGCSA-N	-1	0	267.712	2.535	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCc2ccc(OC)cc21	ZINC000848245248	633223173	/nfs/dbraw/zinc/22/31/73/633223173.db2.gz	JTHOGARNWDWGHL-FZMZJTMJSA-N	-1	0	275.348	2.737	20	30		CFEDRM
C=C[C@@H](C)ONC(=O)CCc1ccc2c(c1)OC(F)(F)O2	ZINC000848246245	633223948	/nfs/dbraw/zinc/22/39/48/633223948.db2.gz	WZIPFNILNFIBSJ-SECBINFHSA-N	-1	0	299.273	2.563	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848414131	633253400	/nfs/dbraw/zinc/25/34/00/633253400.db2.gz	JQLGOXTZHSVZSM-AWEZNQCLSA-N	-1	0	264.325	2.527	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848415009	633253425	/nfs/dbraw/zinc/25/34/25/633253425.db2.gz	VGVJGLOLMVTLJO-RISCZKNCSA-N	-1	0	278.352	2.773	20	30		CFEDRM
CCCn1cccc1C=NNc1ccc(CC(=O)[O-])cc1	ZINC000848415851	633253432	/nfs/dbraw/zinc/25/34/32/633253432.db2.gz	QUWLXPOEIQKXDN-UHFFFAOYSA-N	-1	0	285.347	2.971	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccc(F)c(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000848415203	633253454	/nfs/dbraw/zinc/25/34/54/633253454.db2.gz	IZGIQYSZXTUGAE-SKDRFNHKSA-N	-1	0	296.317	2.931	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc(O)cc1	ZINC000849240587	633588095	/nfs/dbraw/zinc/58/80/95/633588095.db2.gz	QFHNUQCJYRLGCH-RMKNXTFCSA-N	-1	0	269.304	2.605	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc([O-])c(F)c1	ZINC000849244591	633589154	/nfs/dbraw/zinc/58/91/54/633589154.db2.gz	FNLQNSLXWBOICK-FNORWQNLSA-N	-1	0	287.294	2.744	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2C[C@H]3C[C@H]3C2)cc1	ZINC000853370144	634985339	/nfs/dbraw/zinc/98/53/39/634985339.db2.gz	DZRZDWNCLAMVJC-CLLJXQQHSA-N	-1	0	258.321	2.758	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000853381532	634988990	/nfs/dbraw/zinc/98/89/90/634988990.db2.gz	FEAJYDVAUACIDB-ZDUSSCGKSA-N	-1	0	299.374	2.934	20	30		CFEDRM
C[C@@H]1CC(=NN2CCCC[C@@H]2C)CC[C@H]1C(=O)[O-]	ZINC000853382044	634989265	/nfs/dbraw/zinc/98/92/65/634989265.db2.gz	REQKIXYALZUGHE-NTZNESFSSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCC1	ZINC000856028567	635704107	/nfs/dbraw/zinc/70/41/07/635704107.db2.gz	WVAMRWJGHLUYBQ-UHFFFAOYSA-N	-1	0	297.395	2.903	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000856028381	635704233	/nfs/dbraw/zinc/70/42/33/635704233.db2.gz	SAHHMSAQANSJEE-LLVKDONJSA-N	-1	0	285.384	2.614	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(/C=C/C)cc1OC	ZINC000856028540	635704577	/nfs/dbraw/zinc/70/45/77/635704577.db2.gz	IZXHCSYHQIMOSG-FNORWQNLSA-N	-1	0	291.347	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1	ZINC000856032847	635707876	/nfs/dbraw/zinc/70/78/76/635707876.db2.gz	TUFPOGMPWGYDMD-MCIONIFRSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)N(C)C	ZINC000856032453	635708071	/nfs/dbraw/zinc/70/80/71/635708071.db2.gz	ODGLHKPFYRDFQV-CYBMUJFWSA-N	-1	0	282.771	2.567	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccnc(Cl)c2)c1	ZINC000156946669	650210984	/nfs/dbraw/zinc/21/09/84/650210984.db2.gz	TXCNZHDGSAFDGY-DUXPYHPUSA-N	-1	0	299.717	2.964	20	30		CFEDRM
CC(C)(C(=O)[N-]OCC1CCC1)c1cc(F)cc(C#N)c1	ZINC000856352085	635794396	/nfs/dbraw/zinc/79/43/96/635794396.db2.gz	WXHOCPOTWHAEAO-UHFFFAOYSA-N	-1	0	290.338	2.823	20	30		CFEDRM
CCCC[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)C(C)C	ZINC000857013274	635905013	/nfs/dbraw/zinc/90/50/13/635905013.db2.gz	LQYYQXDXMXONKJ-OLZOCXBDSA-N	-1	0	289.379	2.774	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000047358169	650232411	/nfs/dbraw/zinc/23/24/11/650232411.db2.gz	DUGFCZUJGMTXRT-ZWNMCFTASA-N	-1	0	258.302	2.934	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000048421980	650265513	/nfs/dbraw/zinc/26/55/13/650265513.db2.gz	ZIIOTVBDCOCWNC-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000048427119	650266268	/nfs/dbraw/zinc/26/62/68/650266268.db2.gz	NAUKCEHTDWGQLP-UHFFFAOYSA-N	-1	0	261.368	2.830	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494359	650268390	/nfs/dbraw/zinc/26/83/90/650268390.db2.gz	LAOBAWOMHVJWLU-OIBJUYFYSA-N	-1	0	273.741	2.641	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000048474106	650268457	/nfs/dbraw/zinc/26/84/57/650268457.db2.gz	OMBZRTFDQQSEHF-VIFPVBQESA-N	-1	0	269.366	2.995	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519762	650269777	/nfs/dbraw/zinc/26/97/77/650269777.db2.gz	SHCPPRIXYITVFI-YGRLFVJLSA-N	-1	0	293.388	2.867	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000048519033	650270033	/nfs/dbraw/zinc/27/00/33/650270033.db2.gz	XAHRIOYBTONPSB-UHFFFAOYSA-N	-1	0	285.365	2.777	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518371	650270111	/nfs/dbraw/zinc/27/01/11/650270111.db2.gz	WUTFPRUWBCCNAH-QROTZFDESA-N	-1	0	285.390	2.695	20	30		CFEDRM
CC(C)(C(=O)[N-]OC1CCCC1)c1ccc(C#N)cc1	ZINC000860601089	636923823	/nfs/dbraw/zinc/92/38/23/636923823.db2.gz	FXBAWVQLMKBMIB-UHFFFAOYSA-N	-1	0	272.348	2.826	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000862568176	637434927	/nfs/dbraw/zinc/43/49/27/637434927.db2.gz	URVAIDFNGTXGAV-SNVBAGLBSA-N	-1	0	286.356	2.602	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2c([O-])cccc2F)c1	ZINC000118975066	637444854	/nfs/dbraw/zinc/44/48/54/637444854.db2.gz	ZRMPJBVPQHREPQ-UHFFFAOYSA-N	-1	0	255.248	2.765	20	30		CFEDRM
CC[C@H](NN=C1CCc2cc(F)c(Cl)cc21)C(=O)[O-]	ZINC000863114165	637560303	/nfs/dbraw/zinc/56/03/03/637560303.db2.gz	CJTKEYBSIIFQON-NSHDSACASA-N	-1	0	284.718	2.582	20	30		CFEDRM
O=C([O-])Cc1ccc(NN=Cc2cnc(C3CC3)o2)cc1	ZINC000863126902	637566161	/nfs/dbraw/zinc/56/61/61/637566161.db2.gz	PICJKWNZXCXOEV-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC1(CN=Nc2nc3ccccc3[nH]c2=S)COC1	ZINC000863125365	637566242	/nfs/dbraw/zinc/56/62/42/637566242.db2.gz	UOYZWMZBAJCWIX-UHFFFAOYSA-N	-1	0	274.349	2.727	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864144118	637892179	/nfs/dbraw/zinc/89/21/79/637892179.db2.gz	WCPNOELUQRMFRH-AEZGRPFRSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864156351	637896101	/nfs/dbraw/zinc/89/61/01/637896101.db2.gz	ULAPLJBHBHFXQD-MNHHLFBFSA-N	-1	0	287.315	2.701	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000864166775	637900220	/nfs/dbraw/zinc/90/02/20/637900220.db2.gz	TUNNIHUNKJTAJQ-DOMZBBRYSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC(CC)CC)C(=O)[O-]	ZINC000864186325	637908047	/nfs/dbraw/zinc/90/80/47/637908047.db2.gz	MWXLLFSJBZKGAO-JTQLQIEISA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864186845	637908212	/nfs/dbraw/zinc/90/82/12/637908212.db2.gz	YOGVHPXTSGAVBD-PWSUYJOCSA-N	-1	0	281.739	2.502	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000864186766	637908282	/nfs/dbraw/zinc/90/82/82/637908282.db2.gz	XEGQKXXZEKMAJD-NSHDSACASA-N	-1	0	299.729	2.768	20	30		CFEDRM
CCC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000864344710	637945789	/nfs/dbraw/zinc/94/57/89/637945789.db2.gz	FMDZPVGGUBMXTA-GULXKOIASA-N	-1	0	280.324	2.925	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)O1	ZINC000864347020	637948043	/nfs/dbraw/zinc/94/80/43/637948043.db2.gz	IOKUFLLNXIKJQB-GIWXHFDYSA-N	-1	0	298.726	2.939	20	30		CFEDRM
Cc1scc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000865214314	638225123	/nfs/dbraw/zinc/22/51/23/638225123.db2.gz	QTUMQANMDDJQLN-ZRUQZJFASA-N	-1	0	290.340	2.593	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2sccc2OC)c1	ZINC000120703724	638527955	/nfs/dbraw/zinc/52/79/55/638527955.db2.gz	OVRLMPDOWSZAGB-UHFFFAOYSA-N	-1	0	293.369	2.539	20	30		CFEDRM
C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C#N)c1[O-]	ZINC000866340768	638799417	/nfs/dbraw/zinc/79/94/17/638799417.db2.gz	LZJTUSQYZPVUGS-BXUZGUMPSA-N	-1	0	286.331	2.631	20	30		CFEDRM
C[C@@H](NCc1nn(C)cc1Cl)c1cccc(C#N)c1[O-]	ZINC000866366918	638806122	/nfs/dbraw/zinc/80/61/22/638806122.db2.gz	DBQFKSXKERBEJB-SECBINFHSA-N	-1	0	290.754	2.502	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1Cc2ccc(Cl)cc21	ZINC000869282332	639131054	/nfs/dbraw/zinc/13/10/54/639131054.db2.gz	HUPSZIBDWSGHOT-GFCCVEGCSA-N	-1	0	251.713	2.604	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)s1	ZINC000870160208	639530335	/nfs/dbraw/zinc/53/03/35/639530335.db2.gz	WMFFRHNZUINNNO-GFCCVEGCSA-N	-1	0	290.388	2.746	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCC1CCCCC1	ZINC000123107467	639620548	/nfs/dbraw/zinc/62/05/48/639620548.db2.gz	LMCVCXRRSGSIQZ-ZDUSSCGKSA-N	-1	0	287.363	2.672	20	30		CFEDRM
CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)c1c(C)noc1C	ZINC000870692443	639774433	/nfs/dbraw/zinc/77/44/33/639774433.db2.gz	DYFOHQFFPJOFSJ-AWEZNQCLSA-N	-1	0	299.330	2.767	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)CC1	ZINC000870831749	641091330	/nfs/dbraw/zinc/09/13/30/641091330.db2.gz	DIFOWNLCLMBROH-LLVKDONJSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCCC2)CC1	ZINC000870834369	641091617	/nfs/dbraw/zinc/09/16/17/641091617.db2.gz	XNFFWODUBHHUEC-UHFFFAOYSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)CCC=C(C)C)CC1	ZINC000870838554	641091963	/nfs/dbraw/zinc/09/19/63/641091963.db2.gz	FFHDUXXCYWRTKN-CYBMUJFWSA-N	-1	0	299.436	2.924	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)CCCCC)CC1	ZINC000870834756	641092001	/nfs/dbraw/zinc/09/20/01/641092001.db2.gz	OZCGRNCMGXHEDQ-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000193373679	650647625	/nfs/dbraw/zinc/64/76/25/650647625.db2.gz	OIVHOGRYQRFXMZ-ZDUSSCGKSA-N	-1	0	290.338	2.763	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000871655485	641385755	/nfs/dbraw/zinc/38/57/55/641385755.db2.gz	CCLHOBNFVYXHPR-JOCQHMNTSA-N	-1	0	288.347	2.790	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1Cl	ZINC000080298621	650660874	/nfs/dbraw/zinc/66/08/74/650660874.db2.gz	ZNXWAPPPCJCNGS-SCZZXKLOSA-N	-1	0	287.768	2.950	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1Cl	ZINC000080298619	650660896	/nfs/dbraw/zinc/66/08/96/650660896.db2.gz	ZNXWAPPPCJCNGS-PSASIEDQSA-N	-1	0	287.768	2.950	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1Cl	ZINC000080298617	650660917	/nfs/dbraw/zinc/66/09/17/650660917.db2.gz	ZNXWAPPPCJCNGS-WPRPVWTQSA-N	-1	0	287.768	2.950	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1C	ZINC000871776999	641451653	/nfs/dbraw/zinc/45/16/53/641451653.db2.gz	YBRQEURPDSMJDN-UHFFFAOYSA-N	-1	0	297.376	2.710	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2F)c(F)c1	ZINC000872380213	641782875	/nfs/dbraw/zinc/78/28/75/641782875.db2.gz	XASUZNNOTDDHCA-MRVPVSSYSA-N	-1	0	254.236	2.814	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1	ZINC000872410263	641799561	/nfs/dbraw/zinc/79/95/61/641799561.db2.gz	LKQYCZKWWRHQKO-LBPRGKRZSA-N	-1	0	282.290	2.744	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C1(C(=O)[O-])CCCC1	ZINC000872751497	641920848	/nfs/dbraw/zinc/92/08/48/641920848.db2.gz	CXRLTDWBKQLJFX-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#CCOc1cccc(NC(=O)C(C)(C)CCC(=O)[O-])c1	ZINC000872842888	641949925	/nfs/dbraw/zinc/94/99/25/641949925.db2.gz	FHSIBLVWKWTSJD-UHFFFAOYSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000873006074	641982695	/nfs/dbraw/zinc/98/26/95/641982695.db2.gz	YJIAWCWPSVUEQZ-NWDGAFQWSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](C)C(C)(C)C	ZINC000873604830	642271894	/nfs/dbraw/zinc/27/18/94/642271894.db2.gz	XWVLHBWYDBTLLK-NSHDSACASA-N	-1	0	289.441	2.717	20	30		CFEDRM
N#Cc1cccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c1	ZINC000874969697	642566821	/nfs/dbraw/zinc/56/68/21/642566821.db2.gz	SCGMJRYXFLHAFB-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)s2)ccc1C(=O)[O-]	ZINC000874971221	642567475	/nfs/dbraw/zinc/56/74/75/642567475.db2.gz	WRKNPELZNFMLJN-UHFFFAOYSA-N	-1	0	257.270	2.797	20	30		CFEDRM
N#CC1([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CCC1	ZINC000875482469	642628327	/nfs/dbraw/zinc/62/83/27/642628327.db2.gz	GMOMPUMBSCWLBZ-UHFFFAOYSA-N	-1	0	286.228	2.619	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)C1(c2ccccc2)CC1	ZINC000086055567	650794811	/nfs/dbraw/zinc/79/48/11/650794811.db2.gz	NGAFIHKBAPCWAP-UHFFFAOYSA-N	-1	0	293.388	2.947	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1	ZINC000888737823	643194666	/nfs/dbraw/zinc/19/46/66/643194666.db2.gz	YGIJLHDQNLPYRK-UHFFFAOYSA-N	-1	0	299.330	2.715	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC000245696499	650829922	/nfs/dbraw/zinc/82/99/22/650829922.db2.gz	VRRXDOPCWPWSTM-HZSPNIEDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000126587627	643351898	/nfs/dbraw/zinc/35/18/98/643351898.db2.gz	DTTLGGXNTWUFKU-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1	ZINC000091127369	650892841	/nfs/dbraw/zinc/89/28/41/650892841.db2.gz	OPZWBKMKZJWHTO-ZWNOBZJWSA-N	-1	0	297.376	2.775	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc1	ZINC000091127401	650892939	/nfs/dbraw/zinc/89/29/39/650892939.db2.gz	NWYHOZVSKZODBD-UHFFFAOYSA-N	-1	0	285.365	2.775	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1oc2c(cccc2F)c1C	ZINC000092461837	650920591	/nfs/dbraw/zinc/92/05/91/650920591.db2.gz	DDSAVLUUIKDAHU-UHFFFAOYSA-N	-1	0	291.278	2.593	20	30		CFEDRM
CCCCN(CC)c1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000093242193	650935182	/nfs/dbraw/zinc/93/51/82/650935182.db2.gz	ZNDFRBQLUDYEPA-UHFFFAOYSA-N	-1	0	298.408	2.577	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000128673535	644853090	/nfs/dbraw/zinc/85/30/90/644853090.db2.gz	CKIQIUSSMZOXCN-ZDUSSCGKSA-N	-1	0	290.363	2.915	20	30		CFEDRM
CC(C)C[C@@H](Nc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000133555720	646143874	/nfs/dbraw/zinc/14/38/74/646143874.db2.gz	LPFBYVCKHDCGAQ-LLVKDONJSA-N	-1	0	268.263	2.748	20	30		CFEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000884443159	646361598	/nfs/dbraw/zinc/36/15/98/646361598.db2.gz	APQGKQMSKAGYAC-LBPRGKRZSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CC1(C)CO[C@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000887270689	647256633	/nfs/dbraw/zinc/25/66/33/647256633.db2.gz	RLZJUBIBBWHUIV-BPKVKKHESA-N	-1	0	292.335	2.925	20	30		CFEDRM
COC(=O)[C@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000005334636	647847422	/nfs/dbraw/zinc/84/74/22/647847422.db2.gz	BNFZTKJOSZTKDG-JHKKWMAKSA-N	-1	0	276.119	2.679	20	30		CFEDRM
CN(CCC#N)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930592863	649282204	/nfs/dbraw/zinc/28/22/04/649282204.db2.gz	JGHUIHAPZVMATJ-UHFFFAOYSA-N	-1	0	273.119	2.685	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2nc3ccccc3[nH]2)ccc1[O-]	ZINC000254508060	651091487	/nfs/dbraw/zinc/09/14/87/651091487.db2.gz	ZWIOFXDTZIYXGN-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
COc1cnc(-c2cc(F)cc(F)c2[O-])c(C#N)c1	ZINC001243499907	782235627	/nfs/dbraw/zinc/23/56/27/782235627.db2.gz	HYAPQXVDOKMTLE-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)nc1	ZINC001243508968	782244494	/nfs/dbraw/zinc/24/44/94/782244494.db2.gz	JBWXCSUBHROSJE-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1cc(-c2cc(F)cc(F)c2[O-])nc(C2CC2)n1	ZINC001243503877	782238277	/nfs/dbraw/zinc/23/82/77/782238277.db2.gz	LDVHFSFETIDHOD-UHFFFAOYSA-N	-1	0	273.242	2.876	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243506693	782243870	/nfs/dbraw/zinc/24/38/70/782243870.db2.gz	JGNPGVZMIOKINZ-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1nc(C)nc(-c2ccc(Cl)c([O-])c2)c1C#N	ZINC001243576918	782287659	/nfs/dbraw/zinc/28/76/59/782287659.db2.gz	XOWRZTCCLCMFSZ-UHFFFAOYSA-N	-1	0	275.695	2.691	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240105	776763172	/nfs/dbraw/zinc/76/31/72/776763172.db2.gz	TZTUSTXVXDPQDG-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
Cc1cc(C#N)ccc1Nc1ccc(C(=O)[O-])nc1	ZINC001210176622	770222008	/nfs/dbraw/zinc/22/20/08/770222008.db2.gz	OZWCCYMADXCZPU-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
N#Cc1c(F)ccc(Nc2ccc(C(=O)[O-])nc2)c1F	ZINC001210175078	770222103	/nfs/dbraw/zinc/22/21/03/770222103.db2.gz	DEFGXDXSSUMFBS-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
Cc1cc(C#N)ccc1Nc1cc(=O)[nH]c(C2CC2)n1	ZINC001210374392	770273260	/nfs/dbraw/zinc/27/32/60/770273260.db2.gz	KOJQISQWOFKXED-UHFFFAOYSA-N	-1	0	266.304	2.983	20	30		CFEDRM
N#Cc1cc(N)ccc1Nc1ccccc1C(=O)[O-]	ZINC001210969008	770406604	/nfs/dbraw/zinc/40/66/04/770406604.db2.gz	OOZSAQQMFSTSNA-UHFFFAOYSA-N	-1	0	253.261	2.582	20	30		CFEDRM
N#Cc1cc2cccnc2nc1Nc1nccs1	ZINC001210989870	770410961	/nfs/dbraw/zinc/41/09/61/770410961.db2.gz	SHJRWUSULADEJD-UHFFFAOYSA-N	-1	0	253.290	2.702	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@@H]2CCCCO2)c1	ZINC000588409927	770555893	/nfs/dbraw/zinc/55/58/93/770555893.db2.gz	MRYVMEQOHXSSHQ-OJNRTJSBSA-N	-1	0	278.308	2.679	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C(C)=C\c1ccccc1Cl	ZINC000588592769	775243254	/nfs/dbraw/zinc/24/32/54/775243254.db2.gz	GGXKINZMELBJEO-LUAWRHEFSA-N	-1	0	293.750	2.843	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])ccc1[N+](=O)[O-]	ZINC001225490512	775478186	/nfs/dbraw/zinc/47/81/86/775478186.db2.gz	IWPAOMZEHUVXSS-JTQLQIEISA-N	-1	0	279.368	2.949	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517817	775488731	/nfs/dbraw/zinc/48/87/31/775488731.db2.gz	OIUYBLLVZIIVOQ-SECBINFHSA-N	-1	0	290.406	2.799	20	30		CFEDRM
C=C(C)C(=O)OC[C@H](C)Oc1ccc([S-])cc1	ZINC001225555464	775498691	/nfs/dbraw/zinc/49/86/91/775498691.db2.gz	NCBWZFZLYPAUAL-JTQLQIEISA-N	-1	0	252.335	2.862	20	30		CFEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1ccc([S-])cc1	ZINC001225555465	775499201	/nfs/dbraw/zinc/49/92/01/775499201.db2.gz	NCBWZFZLYPAUAL-SNVBAGLBSA-N	-1	0	252.335	2.862	20	30		CFEDRM
C=CC[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(C)C	ZINC001225664686	775547120	/nfs/dbraw/zinc/54/71/20/775547120.db2.gz	RGZCAMVJMUWLBR-JTQLQIEISA-N	-1	0	252.270	2.675	20	30		CFEDRM
C[C@H](Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009348	775665824	/nfs/dbraw/zinc/66/58/24/775665824.db2.gz	VSYYHVDJFFETEP-SNVBAGLBSA-N	-1	0	272.279	2.808	20	30		CFEDRM
C[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008154	775666273	/nfs/dbraw/zinc/66/62/73/775666273.db2.gz	FLAIXIXVHOKSFS-KWQFWETISA-N	-1	0	250.273	2.755	20	30		CFEDRM
Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c1	ZINC001226008468	775666633	/nfs/dbraw/zinc/66/66/33/775666633.db2.gz	HNHSUDQFIPBDJS-MRVPVSSYSA-N	-1	0	291.257	2.781	20	30		CFEDRM
N#Cc1c(OC2CC(F)(F)C2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063549	775685681	/nfs/dbraw/zinc/68/56/81/775685681.db2.gz	IJFLMQXVSJDHJV-UHFFFAOYSA-N	-1	0	294.179	2.854	20	30		CFEDRM
C=CCCCCCC[C@@H](C)Oc1nncc(=O)[n-]1	ZINC001226170287	775725190	/nfs/dbraw/zinc/72/51/90/775725190.db2.gz	OUBOPDWOLUXNQK-LLVKDONJSA-N	-1	0	251.330	2.871	20	30		CFEDRM
Cc1cc(Nc2nc(C)c(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001211649910	775740435	/nfs/dbraw/zinc/74/04/35/775740435.db2.gz	FTLQMYQBNVMMIP-UHFFFAOYSA-N	-1	0	292.298	2.884	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@@H](C)OCc2ccccc2)c1C#N	ZINC001226222251	775741060	/nfs/dbraw/zinc/74/10/60/775741060.db2.gz	XBTMZQRJLDQECM-CYBMUJFWSA-N	-1	0	298.342	2.951	20	30		CFEDRM
CCCC(=O)[C@H](CCC)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226221595	775741669	/nfs/dbraw/zinc/74/16/69/775741669.db2.gz	NDBBOHNDKHROPF-ZDUSSCGKSA-N	-1	0	276.336	2.884	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226331674	775782410	/nfs/dbraw/zinc/78/24/10/775782410.db2.gz	NCAKRCJXIATFJU-SECBINFHSA-N	-1	0	267.285	2.604	20	30		CFEDRM
C#C[C@H](CCCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346852	775786602	/nfs/dbraw/zinc/78/66/02/775786602.db2.gz	MACNQUNYBHSPFP-MRVPVSSYSA-N	-1	0	274.242	2.772	20	30		CFEDRM
C#CC[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531708	775862463	/nfs/dbraw/zinc/86/24/63/775862463.db2.gz	FPMPQMVBGCNABA-LLVKDONJSA-N	-1	0	272.300	2.988	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226974211	776042056	/nfs/dbraw/zinc/04/20/56/776042056.db2.gz	LLZBNTRKDZSENS-NSHDSACASA-N	-1	0	273.336	2.832	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226992692	776053144	/nfs/dbraw/zinc/05/31/44/776053144.db2.gz	WNBHCHPDSFOWIM-SNVBAGLBSA-N	-1	0	274.324	2.639	20	30		CFEDRM
C=CC[C@@H](Oc1cc(=O)[n-]c(OC)n1)c1ccccc1	ZINC001227000543	776056234	/nfs/dbraw/zinc/05/62/34/776056234.db2.gz	MRPCGCKEYQCKBC-GFCCVEGCSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C=C[C@@H](Oc1[n-]c(=S)nnc1C)c1ccccc1	ZINC001227599938	776237644	/nfs/dbraw/zinc/23/76/44/776237644.db2.gz	BGZPTWNPXSSHNT-LLVKDONJSA-N	-1	0	259.334	2.775	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227628924	776247509	/nfs/dbraw/zinc/24/75/09/776247509.db2.gz	RXHCALROSPGWBT-MRVPVSSYSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716164	776268114	/nfs/dbraw/zinc/26/81/14/776268114.db2.gz	LSECSZDQQMYVQJ-VHSXEESVSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C#C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccncc1	ZINC001227743787	776275727	/nfs/dbraw/zinc/27/57/27/776275727.db2.gz	YDEKVDBFFPQLQD-CQSZACIVSA-N	-1	0	294.270	2.619	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227809487	776297329	/nfs/dbraw/zinc/29/73/29/776297329.db2.gz	OPDFCEUYTWHGCZ-SSDOTTSWSA-N	-1	0	267.354	2.529	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004039	776357350	/nfs/dbraw/zinc/35/73/50/776357350.db2.gz	IGHCQWAHKARTGU-JTQLQIEISA-N	-1	0	259.309	2.854	20	30		CFEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228003519	776358148	/nfs/dbraw/zinc/35/81/48/776358148.db2.gz	ACZUPYMGTVUVLV-JTQLQIEISA-N	-1	0	259.309	2.854	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C#N)cc1	ZINC000125572836	776359727	/nfs/dbraw/zinc/35/97/27/776359727.db2.gz	IHZIACPMDWAPJF-OAHLLOKOSA-N	-1	0	297.358	2.577	20	30		CFEDRM
C=CCOc1ccccc1[C@H](C)Oc1nc(O)cc(=O)[n-]1	ZINC001228387487	776479003	/nfs/dbraw/zinc/47/90/03/776479003.db2.gz	BTKUDOOPOZFZQV-JTQLQIEISA-N	-1	0	288.303	2.593	20	30		CFEDRM
C=CCC(CC=C)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228433178	776489272	/nfs/dbraw/zinc/48/92/72/776489272.db2.gz	BLTHDVRRFDSKID-UHFFFAOYSA-N	-1	0	288.376	2.851	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1	ZINC001228898477	776649961	/nfs/dbraw/zinc/64/99/61/776649961.db2.gz	GWOWNEFDWZMAAO-SECBINFHSA-N	-1	0	258.252	2.938	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H](c1cccnc1)C1CC1	ZINC001228901671	776651527	/nfs/dbraw/zinc/65/15/27/776651527.db2.gz	NOQMOYKNMOEUNH-CQSZACIVSA-N	-1	0	267.288	2.584	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ccc2C#N)O1	ZINC001228901258	776651634	/nfs/dbraw/zinc/65/16/34/776651634.db2.gz	KNYMATAHYXGWCR-WBMJQRKESA-N	-1	0	288.347	2.940	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2ccccc2C1	ZINC001228902121	776651923	/nfs/dbraw/zinc/65/19/23/776651923.db2.gz	QAGRKEUADCLHIG-CQSZACIVSA-N	-1	0	266.300	2.595	20	30		CFEDRM
COc1cccc2c1[C@@H](Oc1[n-]c(=O)ccc1C#N)CCO2	ZINC001228902758	776653334	/nfs/dbraw/zinc/65/33/34/776653334.db2.gz	UKNCYGGJBGQPCA-ZDUSSCGKSA-N	-1	0	298.298	2.570	20	30		CFEDRM
C[C@H](Oc1cc([N+](=O)[O-])ccc1C#N)C1=CC=C[CH]1	ZINC001228925810	776659214	/nfs/dbraw/zinc/65/92/14/776659214.db2.gz	AKXOTUOXYQALSZ-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2c(C)cccc21)C(C)C	ZINC001229407177	776803283	/nfs/dbraw/zinc/80/32/83/776803283.db2.gz	HOWOOOUZPUWFBI-GFCCVEGCSA-N	-1	0	256.305	2.680	20	30		CFEDRM
C/C(=N\O)c1ccccc1O[C@@H]1CCn2ccnc21	ZINC001229741570	776885277	/nfs/dbraw/zinc/88/52/77/776885277.db2.gz	QEWRWNKTJWKEHH-BVTUPMQUSA-N	-1	0	257.293	2.605	20	30		CFEDRM
C=CCC[C@H](CC)Oc1ccccc1-c1nn[nH]n1	ZINC001229951095	776922419	/nfs/dbraw/zinc/92/24/19/776922419.db2.gz	PSSNAIKRVUBPMM-NSHDSACASA-N	-1	0	258.325	2.990	20	30		CFEDRM
C=C[C@H](Oc1nc(Cl)nc(=O)[n-]1)c1ccccc1	ZINC001230240631	776963156	/nfs/dbraw/zinc/96/31/56/776963156.db2.gz	NIUWZWHYOXVIPI-VIFPVBQESA-N	-1	0	263.684	2.537	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240580	776963523	/nfs/dbraw/zinc/96/35/23/776963523.db2.gz	MZHMWIRNFAXIGJ-GUBZILKMSA-N	-1	0	283.759	2.990	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc(Cl)[n-]c(=O)n2)C(C)(C)O1	ZINC001230240166	776963774	/nfs/dbraw/zinc/96/37/74/776963774.db2.gz	HFQPTLLQVWPEPM-AMIZOPFISA-N	-1	0	299.758	2.512	20	30		CFEDRM
N#C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1cccc(F)c1	ZINC001225562932	777022550	/nfs/dbraw/zinc/02/25/50/777022550.db2.gz	OQYDHNINRBDOMO-VIFPVBQESA-N	-1	0	279.658	2.618	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862182	777076353	/nfs/dbraw/zinc/07/63/53/777076353.db2.gz	MBDNKPCLVZKVOE-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230854017	777076452	/nfs/dbraw/zinc/07/64/52/777076452.db2.gz	PWUDKUJBKIDSHH-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230883000	777080648	/nfs/dbraw/zinc/08/06/48/777080648.db2.gz	IKYFYTDRRXKDFW-TVQRCGJNSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230883001	777081356	/nfs/dbraw/zinc/08/13/56/777081356.db2.gz	IKYFYTDRRXKDFW-ZANVPECISA-N	-1	0	272.279	2.655	20	30		CFEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H]1CC[C@@H](C#N)C1	ZINC001230886893	777082194	/nfs/dbraw/zinc/08/21/94/777082194.db2.gz	USCRROMIJOOVHP-GHMZBOCLSA-N	-1	0	269.304	2.715	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889325	777083514	/nfs/dbraw/zinc/08/35/14/777083514.db2.gz	UKLFAMQQQYCTRO-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889222	777083665	/nfs/dbraw/zinc/08/36/65/777083665.db2.gz	SRNJZTFYCREWKN-SMDDNHRTSA-N	-1	0	268.316	2.825	20	30		CFEDRM
COC(=O)Cc1ccc(O[C@@H](C)C2=CC=C[CH]2)cc1C#N	ZINC001231031592	777120005	/nfs/dbraw/zinc/12/00/05/777120005.db2.gz	SMZWTNSYYGWLSO-LBPRGKRZSA-N	-1	0	282.319	2.742	20	30		CFEDRM
C=CCC(CC=C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231072111	777131766	/nfs/dbraw/zinc/13/17/66/777131766.db2.gz	SJOLDXLLUUWLMU-UHFFFAOYSA-N	-1	0	285.687	2.643	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231073129	777133308	/nfs/dbraw/zinc/13/33/08/777133308.db2.gz	FUBDMZYQSXTVQU-SNVBAGLBSA-N	-1	0	274.295	2.901	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231225065	777174286	/nfs/dbraw/zinc/17/42/86/777174286.db2.gz	VKBTWZQYFPXGJL-VIFPVBQESA-N	-1	0	294.263	2.635	20	30		CFEDRM
C=C[C@H](CCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231222850	777174564	/nfs/dbraw/zinc/17/45/64/777174564.db2.gz	BSPKAMFNSUJVBI-MRVPVSSYSA-N	-1	0	282.252	2.942	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347436	777197650	/nfs/dbraw/zinc/19/76/50/777197650.db2.gz	LBVOKVSFVHBZLI-JQWIXIFHSA-N	-1	0	284.315	2.525	20	30		CFEDRM
CC1(C)CC(Oc2[n-]c(=O)c(F)cc2C#N)CC(C)(C)O1	ZINC001226008797	777377522	/nfs/dbraw/zinc/37/75/22/777377522.db2.gz	MNSGPZYDFLUMNC-UHFFFAOYSA-N	-1	0	294.326	2.913	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1nc(=O)[n-]cc1[N+](=O)[O-]	ZINC001226334972	777511681	/nfs/dbraw/zinc/51/16/81/777511681.db2.gz	CQEIELFUYYSBOW-SECBINFHSA-N	-1	0	267.285	2.604	20	30		CFEDRM
Cc1nc([C@@H]2CCCCN2Cc2cc(C#N)ccc2[O-])no1	ZINC001232679242	777640390	/nfs/dbraw/zinc/64/03/90/777640390.db2.gz	HOXIDRIILXKULR-AWEZNQCLSA-N	-1	0	298.346	2.683	20	30		CFEDRM
CCN(Cc1cc(C#N)ccc1[O-])CC(F)(F)F	ZINC001232678962	777640658	/nfs/dbraw/zinc/64/06/58/777640658.db2.gz	WCWGRNVWVAMCGR-UHFFFAOYSA-N	-1	0	258.243	2.648	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004343	777993241	/nfs/dbraw/zinc/99/32/41/777993241.db2.gz	JXTPZVFZSYSXJH-MRVPVSSYSA-N	-1	0	279.365	2.596	20	30		CFEDRM
N#C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1cccc(F)c1	ZINC001233591574	778002427	/nfs/dbraw/zinc/00/24/27/778002427.db2.gz	XXMFWIIQAOBORS-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C#C[C@H](Oc1cc([O-])cc2occc(=O)c12)c1ccncc1	ZINC001233832638	778090617	/nfs/dbraw/zinc/09/06/17/778090617.db2.gz	DFIDCMPESHUMKC-AWEZNQCLSA-N	-1	0	293.278	2.647	20	30		CFEDRM
O=C1C=C[C@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234424739	778222781	/nfs/dbraw/zinc/22/27/81/778222781.db2.gz	MTQDBRIFXOMGEZ-QMMMGPOBSA-N	-1	0	263.343	2.861	20	30		CFEDRM
C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234515199	778240740	/nfs/dbraw/zinc/24/07/40/778240740.db2.gz	GTANKCLDRYUWTO-ZANVPECISA-N	-1	0	269.304	2.774	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3C=CCCC3)c2c1	ZINC001234530126	778244893	/nfs/dbraw/zinc/24/48/93/778244893.db2.gz	IAEZQGCFWXGYPK-LLVKDONJSA-N	-1	0	267.288	2.695	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530256	778244948	/nfs/dbraw/zinc/24/49/48/778244948.db2.gz	JOBIACMWTCAURW-LLVKDONJSA-N	-1	0	269.304	2.941	20	30		CFEDRM
C=CC[C@H](C=C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234568373	778254148	/nfs/dbraw/zinc/25/41/48/778254148.db2.gz	MKMLSDPNQJCDAI-QMMMGPOBSA-N	-1	0	285.141	2.763	20	30		CFEDRM
C=CC(C=C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815180	778300457	/nfs/dbraw/zinc/30/04/57/778300457.db2.gz	UTPZDCGWRRBPSM-UHFFFAOYSA-N	-1	0	258.273	2.926	20	30		CFEDRM
C[C@@H](Oc1ccc([N+](=O)[O-])c(C#N)c1)C1=CC=C[CH]1	ZINC001229526221	778315517	/nfs/dbraw/zinc/31/55/17/778315517.db2.gz	WFHYPVJNXKLQFH-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235030313	778359432	/nfs/dbraw/zinc/35/94/32/778359432.db2.gz	WDQHREZQHBQYOD-ZZXKWVIFSA-N	-1	0	250.257	2.718	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235531731	778514635	/nfs/dbraw/zinc/51/46/35/778514635.db2.gz	LWWIRDYJQXOEGT-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1nc(-c2c(F)cc(F)c([O-])c2F)cc2[nH]cnc21	ZINC001235986220	778640908	/nfs/dbraw/zinc/64/09/08/778640908.db2.gz	ULKCSKQHDBDVKI-UHFFFAOYSA-N	-1	0	290.204	2.619	20	30		CFEDRM
N#Cc1ncc(-c2c(F)cc(F)c([O-])c2F)cc1F	ZINC001235993918	778645037	/nfs/dbraw/zinc/64/50/37/778645037.db2.gz	HNMCYZDSLOYULN-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000129056874	778663545	/nfs/dbraw/zinc/66/35/45/778663545.db2.gz	AWAHFYJPTMBWRQ-AWEZNQCLSA-N	-1	0	284.359	2.585	20	30		CFEDRM
Cc1nc(C#N)cnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236147711	778717530	/nfs/dbraw/zinc/71/75/30/778717530.db2.gz	HYEKFZAZTBIEAV-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
C=C[C@@H](CCC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224901867	778739535	/nfs/dbraw/zinc/73/95/35/778739535.db2.gz	DTSBPTGPGPRDFQ-ZDUSSCGKSA-N	-1	0	284.377	2.847	20	30		CFEDRM
CCc1nc(C#N)c(C#N)nc1-c1c(F)ccc(C)c1[O-]	ZINC001236389335	778798293	/nfs/dbraw/zinc/79/82/93/778798293.db2.gz	AYTGWMAEWPNDET-UHFFFAOYSA-N	-1	0	282.278	2.602	20	30		CFEDRM
Cc1cc(Br)c(O)c(CN2CC[C@@H](C#N)C2)c1	ZINC001236670418	778907569	/nfs/dbraw/zinc/90/75/69/778907569.db2.gz	XXEMDTVNGDKCCO-JTQLQIEISA-N	-1	0	295.180	2.809	20	30		CFEDRM
Cc1cc(F)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176402984	779124471	/nfs/dbraw/zinc/12/44/71/779124471.db2.gz	SPUKOIWCIUSZDS-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3cc[nH]c3c2)c1	ZINC000176403765	779124722	/nfs/dbraw/zinc/12/47/22/779124722.db2.gz	SPSLNDXFZHZHDM-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C#N)ccc2[O-])O1	ZINC000176410127	779129161	/nfs/dbraw/zinc/12/91/61/779129161.db2.gz	BMLTUJLBBGWVDK-PWSUYJOCSA-N	-1	0	274.320	2.550	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1	ZINC000130510878	779443278	/nfs/dbraw/zinc/44/32/78/779443278.db2.gz	FZGHCZJRTVLFHC-NSHDSACASA-N	-1	0	298.264	2.552	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239246003	779482887	/nfs/dbraw/zinc/48/28/87/779482887.db2.gz	ZBWPZIVKWKMQLD-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])cc3F)ccc2[nH]1	ZINC001239250856	779483658	/nfs/dbraw/zinc/48/36/58/779483658.db2.gz	STRKKMMWZXUTPO-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccccc2S(=O)(=O)[O-])cc1	ZINC001239292500	779503348	/nfs/dbraw/zinc/50/33/48/779503348.db2.gz	VUNXWMXOTMPGAP-MDZDMXLPSA-N	-1	0	285.324	2.975	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cccc(S(=O)(=O)[O-])c2)cc1	ZINC001239303390	779506070	/nfs/dbraw/zinc/50/60/70/779506070.db2.gz	PUFCMLKBKDBTJE-QPJJXVBHSA-N	-1	0	285.324	2.975	20	30		CFEDRM
N#Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccn1	ZINC001239346501	779531698	/nfs/dbraw/zinc/53/16/98/779531698.db2.gz	SUVLUBBLRAXGEG-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cncc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239352376	779531757	/nfs/dbraw/zinc/53/17/57/779531757.db2.gz	BYOBYZVQWSRBHC-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccn1	ZINC001240551225	780245232	/nfs/dbraw/zinc/24/52/32/780245232.db2.gz	QVWZNODUERLNEP-SNAWJCMRSA-N	-1	0	264.284	2.912	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C)ccc1CC#N	ZINC001240735953	780402862	/nfs/dbraw/zinc/40/28/62/780402862.db2.gz	QTVBYMJALHBLLC-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1cc(-c2ccc(C)nc2C#N)ccc1C(=O)[O-]	ZINC001240742549	780407848	/nfs/dbraw/zinc/40/78/48/780407848.db2.gz	KDWQENZTSLHPNC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2ccccc2C=NO)ccc1C(=O)[O-]	ZINC001240746350	780410780	/nfs/dbraw/zinc/41/07/80/780410780.db2.gz	IELAXZMAUUYZOO-UHFFFAOYSA-N	-1	0	271.272	2.869	20	30		CFEDRM
CCc1nnc(-c2ccc([O-])c(F)c2)c(C#N)c1CC	ZINC001240786021	780440598	/nfs/dbraw/zinc/44/05/98/780440598.db2.gz	HTLFIIBYKZWDIS-UHFFFAOYSA-N	-1	0	271.295	2.985	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1c(C)ccnc1C#N	ZINC001241005448	780587655	/nfs/dbraw/zinc/58/76/55/780587655.db2.gz	OICATBDJLFCJPR-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001212510967	780598755	/nfs/dbraw/zinc/59/87/55/780598755.db2.gz	LUQKDTFZGTZLAM-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241242942	780726082	/nfs/dbraw/zinc/72/60/82/780726082.db2.gz	DDLTYBUSUCSZJO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241243204	780727721	/nfs/dbraw/zinc/72/77/21/780727721.db2.gz	YAYPQJZISSWSSO-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)ncc1C#N	ZINC001241243621	780728147	/nfs/dbraw/zinc/72/81/47/780728147.db2.gz	MSPWNHQMUFPVGA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241244823	780728670	/nfs/dbraw/zinc/72/86/70/780728670.db2.gz	CEHRVLKPQVFHEY-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#CCc1ccncc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241247091	780731130	/nfs/dbraw/zinc/73/11/30/780731130.db2.gz	MTEFAUXVQKPEHP-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1cc(-c2ccc(F)c(C(=O)[O-])c2)ccn1	ZINC001241247412	780732521	/nfs/dbraw/zinc/73/25/21/780732521.db2.gz	SRPWIAVGTRCJTN-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(C(=O)[O-])c1)CCC2	ZINC001241357950	780807944	/nfs/dbraw/zinc/80/79/44/780807944.db2.gz	FJBDNQSHSMWAHL-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
Cc1nc(N)ncc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001241647219	781045836	/nfs/dbraw/zinc/04/58/36/781045836.db2.gz	VJIMWCUQVPLYBT-PTXOJBNSSA-N	-1	0	296.252	2.861	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000703727919	781052269	/nfs/dbraw/zinc/05/22/69/781052269.db2.gz	OCRAHMYEQJUWIP-STQMWFEESA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000703741693	781053325	/nfs/dbraw/zinc/05/33/25/781053325.db2.gz	YNUBTFUWLAXUSZ-OLZOCXBDSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000703732283	781053603	/nfs/dbraw/zinc/05/36/03/781053603.db2.gz	BNLLUEZZICUZBN-NEPJUHHUSA-N	-1	0	255.358	2.574	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1cncc(C(=O)[O-])c1	ZINC001241800469	781131394	/nfs/dbraw/zinc/13/13/94/781131394.db2.gz	WJSXQJPAUGRYHP-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
Cc1cc(-c2cncc(C(=O)[O-])c2)cc(C)c1C#N	ZINC001241801625	781132533	/nfs/dbraw/zinc/13/25/33/781132533.db2.gz	PUXFVLUCYWHYNI-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1F	ZINC001241824315	781145692	/nfs/dbraw/zinc/14/56/92/781145692.db2.gz	UKFZQWOCQWYBQR-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
C#Cc1cccc(-c2c(C)nc([O-])n([C@H](C)CC)c2=O)c1	ZINC001241922510	781182964	/nfs/dbraw/zinc/18/29/64/781182964.db2.gz	WRWRUPJRQPSTSR-LLVKDONJSA-N	-1	0	282.343	2.877	20	30		CFEDRM
N#Cc1ncc(-c2ccc([O-])c(C(F)(F)F)c2)nc1C#N	ZINC001242158308	781307829	/nfs/dbraw/zinc/30/78/29/781307829.db2.gz	XUTYESPCHYLQOK-UHFFFAOYSA-N	-1	0	290.204	2.611	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncccc1C#N	ZINC001242205234	781325297	/nfs/dbraw/zinc/32/52/97/781325297.db2.gz	USGONDZWGGVEBQ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242259837	781345838	/nfs/dbraw/zinc/34/58/38/781345838.db2.gz	DTHRXONAAKBECM-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242263057	781348091	/nfs/dbraw/zinc/34/80/91/781348091.db2.gz	STLVGQANGGBBBI-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242263027	781348184	/nfs/dbraw/zinc/34/81/84/781348184.db2.gz	REMVPPAFZNFXLC-UHFFFAOYSA-N	-1	0	266.300	2.750	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc(CC(=O)[O-])c1	ZINC001242263474	781348834	/nfs/dbraw/zinc/34/88/34/781348834.db2.gz	GYACGKLTVAFPSC-UHFFFAOYSA-N	-1	0	277.283	2.680	20	30		CFEDRM
N#CCc1c(F)cccc1-c1ccc(C(=O)[O-])nc1	ZINC001242337722	781409545	/nfs/dbraw/zinc/40/95/45/781409545.db2.gz	PBJZVUZZHINIEM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1nc(-c2cccc(F)c2[O-])c(F)cc1C#N	ZINC001242349445	781421397	/nfs/dbraw/zinc/42/13/97/781421397.db2.gz	PYWLCDBADLJJMJ-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cnc(-c2cccc(Cl)c2[O-])c(C#N)c1	ZINC001242362524	781436038	/nfs/dbraw/zinc/43/60/38/781436038.db2.gz	IWCHLBGHWDYXFQ-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3cccc(C(=O)[O-])c3F)c1-2	ZINC001242376648	781445193	/nfs/dbraw/zinc/44/51/93/781445193.db2.gz	MJVQADWDFNVLBB-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
Cc1ccc(C#N)c(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242378333	781446495	/nfs/dbraw/zinc/44/64/95/781446495.db2.gz	RFERSSCMHBMBKP-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C#N)ccc1C	ZINC001242388104	781458235	/nfs/dbraw/zinc/45/82/35/781458235.db2.gz	GUUYXVZEMSLLKM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1cc(-c2ncc(C(F)(F)F)cn2)ccc1[O-]	ZINC001242562396	781600398	/nfs/dbraw/zinc/60/03/98/781600398.db2.gz	WFJAOLMMPXILEO-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
CCc1cc(CC)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562884	781601835	/nfs/dbraw/zinc/60/18/35/781601835.db2.gz	KVFHKXJOOHHXDG-UHFFFAOYSA-N	-1	0	253.305	2.846	20	30		CFEDRM
C=CC[C@H](NC(=O)[C@H](C)CCc1ccc(F)cc1)C(=O)[O-]	ZINC001118913522	781732164	/nfs/dbraw/zinc/73/21/64/781732164.db2.gz	KBXQGAHSUQUDTH-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
N#Cc1ncc(-c2cc(Cl)c([O-])c(Cl)c2)nc1C#N	ZINC001242851307	781800350	/nfs/dbraw/zinc/80/03/50/781800350.db2.gz	FSGNNZCCHJMCHG-UHFFFAOYSA-N	-1	0	291.097	2.899	20	30		CFEDRM
N#CCOc1ccccc1-c1ccccc1C(=O)[O-]	ZINC001242877945	781816176	/nfs/dbraw/zinc/81/61/76/781816176.db2.gz	ONFBVGHBMZWMOZ-UHFFFAOYSA-N	-1	0	253.257	2.954	20	30		CFEDRM
N#CC[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230015703	781840456	/nfs/dbraw/zinc/84/04/56/781840456.db2.gz	AHUBYKBCJCZOFY-SNVBAGLBSA-N	-1	0	275.695	2.869	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)c(C#N)c1	ZINC001242922317	781842942	/nfs/dbraw/zinc/84/29/42/781842942.db2.gz	HHQVWITXWXVZIY-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C#N)c(C)cn1	ZINC001242921196	781843352	/nfs/dbraw/zinc/84/33/52/781843352.db2.gz	ZFJVGLSRWQIWHD-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ncc(C#N)cc1C	ZINC001242921690	781843603	/nfs/dbraw/zinc/84/36/03/781843603.db2.gz	YBPAMFVDVWFBDV-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CCOc1nc(O[C@H](C)C2=CC=C[CH]2)c(C#N)s1	ZINC001231090850	781903796	/nfs/dbraw/zinc/90/37/96/781903796.db2.gz	KEJWBNAOYIMLHT-SECBINFHSA-N	-1	0	261.326	2.881	20	30		CFEDRM
C[C@H](Nc1ncccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594541781	349444303	/nfs/dbraw/zinc/44/43/03/349444303.db2.gz	ZZDLRSLFUDVUAF-ZMLRMANQSA-N	-1	0	273.336	2.501	20	30		CFEDRM
C[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)[C@H]1C(=O)[O-]	ZINC000595281412	349589860	/nfs/dbraw/zinc/58/98/60/349589860.db2.gz	KYYZDTWGFYTYHU-TZMCWYRMSA-N	-1	0	292.379	2.562	20	30		CFEDRM
CC(C)C[C@H](CNc1ncc(C#N)cc1F)CC(=O)[O-]	ZINC000595971744	349772936	/nfs/dbraw/zinc/77/29/36/349772936.db2.gz	SXBXRICUINBAQX-JTQLQIEISA-N	-1	0	279.315	2.641	20	30		CFEDRM
N#CC1(CNc2ncccc2C(=O)[O-])CCCCC1	ZINC000595976634	349773664	/nfs/dbraw/zinc/77/36/64/349773664.db2.gz	UEDHDVDKQNAYLS-UHFFFAOYSA-N	-1	0	259.309	2.666	20	30		CFEDRM
N#Cc1cnc(NC[C@H](CC(=O)[O-])C2CC2)c(Cl)c1	ZINC000595977147	349773954	/nfs/dbraw/zinc/77/39/54/349773954.db2.gz	FUQHNIWLFVRYHQ-JTQLQIEISA-N	-1	0	279.727	2.519	20	30		CFEDRM
CC[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C(F)F	ZINC000596254381	349841761	/nfs/dbraw/zinc/84/17/61/349841761.db2.gz	CFFSQYWQLIFHIR-SCSAIBSYSA-N	-1	0	251.689	2.546	20	30		CFEDRM
CO[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)CC(C)C	ZINC000596271528	349849428	/nfs/dbraw/zinc/84/94/28/349849428.db2.gz	HGYGESIDSOPFQJ-MRVPVSSYSA-N	-1	0	273.789	2.563	20	30		CFEDRM
N#Cc1[n-]c(=NC[C@@H]2CCC3(CCCC3)O2)sc1Cl	ZINC000596296066	349855808	/nfs/dbraw/zinc/85/58/08/349855808.db2.gz	FWTMCSORRDPWMU-VIFPVBQESA-N	-1	0	297.811	2.994	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000076905762	347159964	/nfs/dbraw/zinc/15/99/64/347159964.db2.gz	XNHGRPRDUINODU-CMDGGOBGSA-N	-1	0	271.382	2.819	20	30		CFEDRM
C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000080251450	347352025	/nfs/dbraw/zinc/35/20/25/347352025.db2.gz	ILBWZOKOXWWCJF-RYUDHWBXSA-N	-1	0	296.392	2.943	20	30		CFEDRM
Cc1sc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c(C#N)c1C	ZINC000085407853	347479814	/nfs/dbraw/zinc/47/98/14/347479814.db2.gz	BSXTWZMAYIXGBT-VHSXEESVSA-N	-1	0	292.360	2.532	20	30		CFEDRM
C[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163854445	348035256	/nfs/dbraw/zinc/03/52/56/348035256.db2.gz	QSLJEMYTNADTFH-SSDOTTSWSA-N	-1	0	272.226	2.710	20	30		CFEDRM
C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000311567900	348413740	/nfs/dbraw/zinc/41/37/40/348413740.db2.gz	QCHYUHGRJMWXAH-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@H](CC#N)C(=O)Nc1ccc(Br)cc1O	ZINC000596791925	349990050	/nfs/dbraw/zinc/99/00/50/349990050.db2.gz	FYTQVRFMZVTPDE-SSDOTTSWSA-N	-1	0	283.125	2.643	20	30		CFEDRM
CC(C)=C[C@@H]1[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1(C)C	ZINC000588766751	348795163	/nfs/dbraw/zinc/79/51/63/348795163.db2.gz	LNQLQKVGIMPFHW-OLZOCXBDSA-N	-1	0	298.390	2.758	20	30		CFEDRM
N#Cc1cccc(F)c1CC(=O)Nc1c(O)cccc1F	ZINC000586801846	348754593	/nfs/dbraw/zinc/75/45/93/348754593.db2.gz	RTFAMKMKRPDOEE-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
N#CC1(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000590321627	348893107	/nfs/dbraw/zinc/89/31/07/348893107.db2.gz	ZXRQCWZVCQSNRH-UHFFFAOYSA-N	-1	0	295.682	2.586	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1cc(C#N)nc2ccccc21	ZINC000591326609	349009642	/nfs/dbraw/zinc/00/96/42/349009642.db2.gz	WVQDVJRCCDPYJG-UHFFFAOYSA-N	-1	0	283.331	2.584	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(NCCCCC(=O)[O-])c2c1	ZINC000591326757	349010269	/nfs/dbraw/zinc/01/02/69/349010269.db2.gz	SEWRNDLVSNRBSO-UHFFFAOYSA-N	-1	0	297.358	2.812	20	30		CFEDRM
N#CCc1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000591530769	349029084	/nfs/dbraw/zinc/02/90/84/349029084.db2.gz	AHHFMZMYDBBBJX-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
C[C@@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@H]1C(=O)[O-]	ZINC000592420600	349118023	/nfs/dbraw/zinc/11/80/23/349118023.db2.gz	FUORWYHHFGEOGH-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C(=O)[O-]	ZINC000592421099	349118545	/nfs/dbraw/zinc/11/85/45/349118545.db2.gz	MTIXGONVCBOBNG-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000592420940	349118611	/nfs/dbraw/zinc/11/86/11/349118611.db2.gz	QKMIDLDUNRHFAN-WCQYABFASA-N	-1	0	295.342	2.502	20	30		CFEDRM
CC1(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC=CC1	ZINC000594472666	349427743	/nfs/dbraw/zinc/42/77/43/349427743.db2.gz	GBMWXSQUOXDTBP-UHFFFAOYSA-N	-1	0	296.779	2.599	20	30		CFEDRM
C=CCC1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCCC1	ZINC000598297073	350228504	/nfs/dbraw/zinc/22/85/04/350228504.db2.gz	VMKYLIRYVYXQSU-UHFFFAOYSA-N	-1	0	290.319	2.919	20	30		CFEDRM
C=CCC[C@H](NC(=O)CSCC(=O)[O-])c1ccccc1	ZINC000600872334	350621404	/nfs/dbraw/zinc/62/14/04/350621404.db2.gz	NNMIJELLERVNBA-ZDUSSCGKSA-N	-1	0	293.388	2.628	20	30		CFEDRM
CC[C@@H](CC1CCCCC1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601641068	350752377	/nfs/dbraw/zinc/75/23/77/350752377.db2.gz	NFAPCYYJWHXCHR-LBPRGKRZSA-N	-1	0	274.368	2.638	20	30		CFEDRM
Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1CCC#N	ZINC000601948986	350815932	/nfs/dbraw/zinc/81/59/32/350815932.db2.gz	IEKPVWJZKAIOGK-NHYWBVRUSA-N	-1	0	285.322	2.951	20	30		CFEDRM
CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C	ZINC000601950051	350816946	/nfs/dbraw/zinc/81/69/46/350816946.db2.gz	SXDWTUDPXXVYTO-QMMMGPOBSA-N	-1	0	261.712	2.960	20	30		CFEDRM
CN(C(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCC[C@@H]1C#N	ZINC000601824186	350787060	/nfs/dbraw/zinc/78/70/60/350787060.db2.gz	UKUSIKXGCMSYMC-PWSUYJOCSA-N	-1	0	278.739	2.810	20	30		CFEDRM
CCc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000601933179	350806018	/nfs/dbraw/zinc/80/60/18/350806018.db2.gz	CJDGWEHQSKCMPU-AWEZNQCLSA-N	-1	0	255.321	2.891	20	30		CFEDRM
C[C@H](CC#N)n1[n-]c(CCc2ccccc2)cc1=O	ZINC000601935996	350808760	/nfs/dbraw/zinc/80/87/60/350808760.db2.gz	NNRPRRUIGVIOGS-GFCCVEGCSA-N	-1	0	255.321	2.510	20	30		CFEDRM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1CCC#N	ZINC000601939519	350810173	/nfs/dbraw/zinc/81/01/73/350810173.db2.gz	LNAFRDKGABXWIG-LLVKDONJSA-N	-1	0	286.291	2.546	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1F	ZINC000601994709	350825020	/nfs/dbraw/zinc/82/50/20/350825020.db2.gz	ZEGSQWWRDVAGDS-CQSZACIVSA-N	-1	0	278.283	2.527	20	30		CFEDRM
N#Cc1cc(F)cc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000601995648	350825810	/nfs/dbraw/zinc/82/58/10/350825810.db2.gz	SYKPPYZLIMZEDO-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCC2(C#N)CCCC2)o1	ZINC000603401751	351156800	/nfs/dbraw/zinc/15/68/00/351156800.db2.gz	IDBQVJOXRPUCOZ-UHFFFAOYSA-N	-1	0	262.357	2.675	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000607009983	351309388	/nfs/dbraw/zinc/30/93/88/351309388.db2.gz	XCNLIAMACWMIOV-SNVBAGLBSA-N	-1	0	294.314	2.614	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000612397415	351814263	/nfs/dbraw/zinc/81/42/63/351814263.db2.gz	MZRFKIRTQBGSJL-AWEZNQCLSA-N	-1	0	296.729	2.951	20	30		CFEDRM
N#Cc1ccc(NC(=O)NOCCC(F)(F)F)cc1	ZINC000122433164	187031747	/nfs/dbraw/zinc/03/17/47/187031747.db2.gz	XHLDAFKXBRQKTO-UHFFFAOYSA-N	-1	0	273.214	2.564	20	30		CFEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1ccc(F)cc1[O-]	ZINC000123370945	187087801	/nfs/dbraw/zinc/08/78/01/187087801.db2.gz	JKIOWRCWOWHWKK-UHFFFAOYSA-N	-1	0	284.290	2.675	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000617779198	352642636	/nfs/dbraw/zinc/64/26/36/352642636.db2.gz	XBGYHKWAVYCIRN-QMMMGPOBSA-N	-1	0	286.784	2.930	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(F)cc2[O-])C1	ZINC000617781967	352645034	/nfs/dbraw/zinc/64/50/34/352645034.db2.gz	WGAIRNBJNRKQCZ-NSHDSACASA-N	-1	0	263.312	2.960	20	30		CFEDRM
N#CCc1cccc(S(=O)(=O)[N-]c2ccsc2)c1	ZINC000619462973	353027135	/nfs/dbraw/zinc/02/71/35/353027135.db2.gz	JYCRUMOMXMHVMY-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1	ZINC000620856933	353241341	/nfs/dbraw/zinc/24/13/41/353241341.db2.gz	GLSAKIJBTFEFEU-UHFFFAOYSA-N	-1	0	273.336	2.743	20	30		CFEDRM
CC(C)[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000156231954	188250466	/nfs/dbraw/zinc/25/04/66/188250466.db2.gz	VZAPDLVMOFYQDG-PHIMTYICSA-N	-1	0	285.351	2.554	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000621538070	353376028	/nfs/dbraw/zinc/37/60/28/353376028.db2.gz	FIKHNDOIMBIRCA-CHWSQXEVSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000621558332	353378741	/nfs/dbraw/zinc/37/87/41/353378741.db2.gz	CLQHGPJFLMSSLN-NSHDSACASA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000621586281	353382487	/nfs/dbraw/zinc/38/24/87/353382487.db2.gz	XXOMLULQHBBRKU-WCQYABFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000621586282	353382503	/nfs/dbraw/zinc/38/25/03/353382503.db2.gz	XXOMLULQHBBRKU-YPMHNXCESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000630228625	355030524	/nfs/dbraw/zinc/03/05/24/355030524.db2.gz	CMYJRYHWJJSUSU-RYUDHWBXSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000630266462	355035324	/nfs/dbraw/zinc/03/53/24/355035324.db2.gz	DZOFPKKMIMMZCL-JSGCOSHPSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)[O-]	ZINC000630183262	355024418	/nfs/dbraw/zinc/02/44/18/355024418.db2.gz	VLKARMMNKSRWLU-NSHDSACASA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC000630301600	355046563	/nfs/dbraw/zinc/04/65/63/355046563.db2.gz	NMQZPTUMGFMETL-ZDUSSCGKSA-N	-1	0	259.305	2.566	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000630312932	355048647	/nfs/dbraw/zinc/04/86/47/355048647.db2.gz	CIWYAKOETYMTMW-OLZOCXBDSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(OC(C)C)cc1)C(=O)[O-]	ZINC000630318169	355049588	/nfs/dbraw/zinc/04/95/88/355049588.db2.gz	FEDNSPAIKQGWIC-AWEZNQCLSA-N	-1	0	291.347	2.623	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000630318528	355049683	/nfs/dbraw/zinc/04/96/83/355049683.db2.gz	IBKIHJYKQNXATQ-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000630319654	355050003	/nfs/dbraw/zinc/05/00/03/355050003.db2.gz	FFSHDQWETRNYJU-GWCFXTLKSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000630319763	355050005	/nfs/dbraw/zinc/05/00/05/355050005.db2.gz	HJAORJZMNSGZSZ-LBPRGKRZSA-N	-1	0	299.729	2.937	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000630319447	355050049	/nfs/dbraw/zinc/05/00/49/355050049.db2.gz	AVDLMUVZFSFPKG-CQSZACIVSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000630319721	355050106	/nfs/dbraw/zinc/05/01/06/355050106.db2.gz	GPOZOGNFXCSJAT-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000630321773	355050858	/nfs/dbraw/zinc/05/08/58/355050858.db2.gz	NAJTUHXXKWBCGI-AWEZNQCLSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000630325042	355052480	/nfs/dbraw/zinc/05/24/80/355052480.db2.gz	GPNTZDIDQVRROO-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000630326727	355053034	/nfs/dbraw/zinc/05/30/34/355053034.db2.gz	SIIBBOJEVPZWNB-DOMZBBRYSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000630327126	355053081	/nfs/dbraw/zinc/05/30/81/355053081.db2.gz	XGBALNWZMQYCSY-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000630549092	355108770	/nfs/dbraw/zinc/10/87/70/355108770.db2.gz	ALJBSINXQDLEDY-JTQLQIEISA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CC[C@H]1CCCN(c2ncc(C(=O)[O-])s2)C1	ZINC000630459739	355088396	/nfs/dbraw/zinc/08/83/96/355088396.db2.gz	HDOHXUBFPBNSQN-VIFPVBQESA-N	-1	0	252.339	2.634	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000630483990	355093005	/nfs/dbraw/zinc/09/30/05/355093005.db2.gz	UZRYZRYZWDJMCK-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc([C@@H]2C[C@H]2C)o1	ZINC000630960382	355231228	/nfs/dbraw/zinc/23/12/28/355231228.db2.gz	OUNMIIQZBGJXHS-DGCLKSJQSA-N	-1	0	285.347	2.792	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[O-]	ZINC000428039214	283135061	/nfs/dbraw/zinc/13/50/61/283135061.db2.gz	CIFLOBWGFDDZIX-UHFFFAOYSA-N	-1	0	296.261	2.532	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000235417128	540365577	/nfs/dbraw/zinc/36/55/77/540365577.db2.gz	UVHQMZLKYHRZBE-LLVKDONJSA-N	-1	0	261.321	2.696	20	30		CFEDRM
C#CCO[C@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000297071001	200076954	/nfs/dbraw/zinc/07/69/54/200076954.db2.gz	JKYXLWWKNHMTFU-SSDOTTSWSA-N	-1	0	288.130	2.676	20	30		CFEDRM
C#CCO[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000297071011	200077243	/nfs/dbraw/zinc/07/72/43/200077243.db2.gz	JKYXLWWKNHMTFU-ZETCQYMHSA-N	-1	0	288.130	2.676	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000685020038	540897630	/nfs/dbraw/zinc/89/76/30/540897630.db2.gz	LYTJJKRBDVAIPM-ZWNOBZJWSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000192880491	189631322	/nfs/dbraw/zinc/63/13/22/189631322.db2.gz	WCSBXPKFGYJYMM-LBPRGKRZSA-N	-1	0	291.347	2.999	20	30		CFEDRM
COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1C#N	ZINC000442344640	240962344	/nfs/dbraw/zinc/96/23/44/240962344.db2.gz	DMBFNKDXWLLUCC-HWKANZROSA-N	-1	0	286.312	2.892	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cocn2)n1	ZINC000673815527	541515626	/nfs/dbraw/zinc/51/56/26/541515626.db2.gz	WHPRBXMJHRXPGL-QMMMGPOBSA-N	-1	0	261.306	2.745	20	30		CFEDRM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000016130013	372100078	/nfs/dbraw/zinc/10/00/78/372100078.db2.gz	AZEIUOGQNOITMW-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1	ZINC000027216638	372337513	/nfs/dbraw/zinc/33/75/13/372337513.db2.gz	JSVFRMBPBNSBEV-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
COc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041520423	372846114	/nfs/dbraw/zinc/84/61/14/372846114.db2.gz	FTWDZAPWYQTYTN-NSHDSACASA-N	-1	0	272.329	2.950	20	30		CFEDRM
CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000041519497	372846408	/nfs/dbraw/zinc/84/64/08/372846408.db2.gz	FNKPIAIJMHUNOK-CYBMUJFWSA-N	-1	0	299.355	2.900	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)C1CCCC1	ZINC000042243896	372894248	/nfs/dbraw/zinc/89/42/48/372894248.db2.gz	BQFWFPUNXUZNIX-UHFFFAOYSA-N	-1	0	259.352	2.584	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1	ZINC000046927331	373069369	/nfs/dbraw/zinc/06/93/69/373069369.db2.gz	BSXNRMMMDBPFJF-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c1	ZINC000048505732	373194741	/nfs/dbraw/zinc/19/47/41/373194741.db2.gz	WSUWKVKJZVNSFQ-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
Cc1c2cc(F)ccc2sc1C(=O)[N-]S(C)(=O)=O	ZINC000049003983	373247733	/nfs/dbraw/zinc/24/77/33/373247733.db2.gz	BDDSITRUJRPBEG-UHFFFAOYSA-N	-1	0	287.337	2.613	20	30		CFEDRM
CCc1sc(C(=O)[N-]S(=O)(=O)C(C)C)cc1C	ZINC000049417832	373295500	/nfs/dbraw/zinc/29/55/00/373295500.db2.gz	IJEKAOXKNMKVOK-UHFFFAOYSA-N	-1	0	275.395	2.662	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1F	ZINC000051636312	373403668	/nfs/dbraw/zinc/40/36/68/373403668.db2.gz	JOXHGAPTZLARNU-NEPJUHHUSA-N	-1	0	290.294	2.527	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2oc3c(cccc3C)c2C)c1C#N	ZINC000431687536	383690385	/nfs/dbraw/zinc/69/03/85/383690385.db2.gz	YJBUQZHEHLZCRY-UHFFFAOYSA-N	-1	0	294.314	2.627	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1SCC)C(=O)[O-]	ZINC000574636372	335035758	/nfs/dbraw/zinc/03/57/58/335035758.db2.gz	FGGKLRHKENIOJH-GFCCVEGCSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC000262053150	190047591	/nfs/dbraw/zinc/04/75/91/190047591.db2.gz	INISFVRUACJBQS-UHFFFAOYSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CCC(=O)[O-])CC(C)C	ZINC000262255447	190051417	/nfs/dbraw/zinc/05/14/17/190051417.db2.gz	ZZTVRBPUZWXGKG-UHFFFAOYSA-N	-1	0	267.369	2.714	20	30		CFEDRM
C=C[C@@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000263172429	190067109	/nfs/dbraw/zinc/06/71/09/190067109.db2.gz	YVXRZZHYISOXPY-ZDUSSCGKSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC000262695280	190060472	/nfs/dbraw/zinc/06/04/72/190060472.db2.gz	GAQKXQCJYZPYBM-JYJNAYRXSA-N	-1	0	299.370	2.758	20	30		CFEDRM
CC(C)C[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000124643565	377072962	/nfs/dbraw/zinc/07/29/62/377072962.db2.gz	UNTMTZIMFZTTPX-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2scnc2C2CC2)nc(C)n1	ZINC000328814958	378428755	/nfs/dbraw/zinc/42/87/55/378428755.db2.gz	CGNOJNQCYOUGAP-NSHDSACASA-N	-1	0	298.371	2.917	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2scnc2C2CC2)nc(C)n1	ZINC000328814957	378428959	/nfs/dbraw/zinc/42/89/59/378428959.db2.gz	CGNOJNQCYOUGAP-LLVKDONJSA-N	-1	0	298.371	2.917	20	30		CFEDRM
N#Cc1ccccc1C[S@](=O)c1cccc(O)c1	ZINC000334277348	379021000	/nfs/dbraw/zinc/02/10/00/379021000.db2.gz	OJFHSJMSVVZMPH-SFHVURJKSA-N	-1	0	257.314	2.572	20	30		CFEDRM
C=CC1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1	ZINC000335805496	379918930	/nfs/dbraw/zinc/91/89/30/379918930.db2.gz	GREULGZVUPYSHU-UHFFFAOYSA-N	-1	0	294.424	2.687	20	30		CFEDRM
Cc1cscc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000335880753	380044280	/nfs/dbraw/zinc/04/42/80/380044280.db2.gz	POLSKHVMQCYIBO-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1C	ZINC000335989342	380202271	/nfs/dbraw/zinc/20/22/71/380202271.db2.gz	YERBHNVBDFYRPH-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
C=CCSCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000180199366	380631438	/nfs/dbraw/zinc/63/14/38/380631438.db2.gz	VZUHMRPTGLFORR-UKTHLTGXSA-N	-1	0	266.322	2.639	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1F	ZINC000180466061	380664788	/nfs/dbraw/zinc/66/47/88/380664788.db2.gz	MBKOZMIGDKAEIW-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000181140707	380746791	/nfs/dbraw/zinc/74/67/91/380746791.db2.gz	UWSITXMFSQDZQN-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
C=CCOCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000358562539	380929817	/nfs/dbraw/zinc/92/98/17/380929817.db2.gz	UKWMTQBXZWZZTB-UHFFFAOYSA-N	-1	0	291.395	2.935	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCCC1	ZINC000183903598	381337949	/nfs/dbraw/zinc/33/79/49/381337949.db2.gz	VKCYBWIZZVWFPP-UHFFFAOYSA-N	-1	0	289.291	2.713	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)N=c1[n-]ncs1	ZINC000348455144	381575343	/nfs/dbraw/zinc/57/53/43/381575343.db2.gz	NUSSUCQDABPQSU-UHFFFAOYSA-N	-1	0	288.376	2.570	20	30		CFEDRM
CCc1c(C([O-])=C(C#N)c2nc(C)cs2)ccn1C	ZINC000355113669	381620775	/nfs/dbraw/zinc/62/07/75/381620775.db2.gz	CEPAXUWMYSMLLI-LLVKDONJSA-N	-1	0	273.361	2.843	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C/c2ccncc2C#N)cc1)C(=O)[O-]	ZINC000349104420	381824452	/nfs/dbraw/zinc/82/44/52/381824452.db2.gz	DQQXEFAEVSQDLA-PWFBRDGFSA-N	-1	0	294.310	2.976	20	30		CFEDRM
C=CCC(F)(F)C(=O)N[C@@H](COC)c1ccc(C)o1	ZINC000293132826	382001302	/nfs/dbraw/zinc/00/13/02/382001302.db2.gz	FZJWOVNTEGTAKI-JTQLQIEISA-N	-1	0	273.279	2.603	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](CC(C)C)c2ccccc2)c1C#N	ZINC000357162521	382032817	/nfs/dbraw/zinc/03/28/17/382032817.db2.gz	IFKZHFDHOWULIU-AWEZNQCLSA-N	-1	0	296.374	2.780	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c1	ZINC000357528212	382209744	/nfs/dbraw/zinc/20/97/44/382209744.db2.gz	HBMJJVNKFNTBCJ-UHFFFAOYSA-N	-1	0	299.355	2.631	20	30		CFEDRM
C[C@H](O)CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000418893889	382188574	/nfs/dbraw/zinc/18/85/74/382188574.db2.gz	AKTKLXKGKVTDIQ-NSHDSACASA-N	-1	0	279.384	2.503	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(=O)[nH]c(C3CC3)c2)n1	ZINC000187466864	382189969	/nfs/dbraw/zinc/18/99/69/382189969.db2.gz	QWMYFWLMWRIBCU-LLVKDONJSA-N	-1	0	299.355	2.507	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000345951906	382323951	/nfs/dbraw/zinc/32/39/51/382323951.db2.gz	DZNQKQPDEYAGGK-GXTWGEPZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1C	ZINC000345380442	382301380	/nfs/dbraw/zinc/30/13/80/382301380.db2.gz	RANNUKUZXZVMKB-NSHDSACASA-N	-1	0	293.330	2.701	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1[O-]	ZINC000188414126	382409822	/nfs/dbraw/zinc/40/98/22/382409822.db2.gz	SGPWJJKYWAIBAI-UHFFFAOYSA-N	-1	0	294.310	2.841	20	30		CFEDRM
C=C(C)COCCN=c1nc(C2CCCC2)[n-]s1	ZINC000420604658	382421750	/nfs/dbraw/zinc/42/17/50/382421750.db2.gz	SHGZHKODDWNIJW-UHFFFAOYSA-N	-1	0	267.398	2.622	20	30		CFEDRM
CCCOc1ccc(/C=N/CCOCC(F)F)c(O)c1	ZINC000189559753	382624295	/nfs/dbraw/zinc/62/42/95/382624295.db2.gz	KYWVYDLBAWATCL-RQZCQDPDSA-N	-1	0	287.306	2.882	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000393737928	382625130	/nfs/dbraw/zinc/62/51/30/382625130.db2.gz	RJCTWTOAWFSICN-GFCCVEGCSA-N	-1	0	282.384	2.770	20	30		CFEDRM
CCc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000346948871	382582808	/nfs/dbraw/zinc/58/28/08/382582808.db2.gz	SXLIGZWAAIMVEZ-LLVKDONJSA-N	-1	0	271.345	2.899	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000191215571	382695697	/nfs/dbraw/zinc/69/56/97/382695697.db2.gz	XUDLMEKGQGOHHD-CHWSQXEVSA-N	-1	0	275.348	2.573	20	30		CFEDRM
CCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)C(C)C	ZINC000576171311	382813491	/nfs/dbraw/zinc/81/34/91/382813491.db2.gz	KFMGKPGCEBBCQF-UHFFFAOYSA-N	-1	0	293.392	2.641	20	30		CFEDRM
C#CCCCCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000229715859	382853256	/nfs/dbraw/zinc/85/32/56/382853256.db2.gz	PMWKAJXJKWGRKD-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
C=CCSCCN=c1[n-]nc(-c2ccccc2)s1	ZINC000543747202	382972565	/nfs/dbraw/zinc/97/25/65/382972565.db2.gz	ZYURZULNHUIEPZ-UHFFFAOYSA-N	-1	0	277.418	2.958	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ns1	ZINC000447628575	382998390	/nfs/dbraw/zinc/99/83/90/382998390.db2.gz	IYQHKQAIWLRQNY-SNVBAGLBSA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000448997549	383125961	/nfs/dbraw/zinc/12/59/61/383125961.db2.gz	UWGHUODZETWUCN-LBPRGKRZSA-N	-1	0	279.361	2.758	20	30		CFEDRM
C=CC(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000448946683	383112218	/nfs/dbraw/zinc/11/22/18/383112218.db2.gz	PYGSQMMZJQSLRU-UHFFFAOYSA-N	-1	0	279.390	2.839	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000565181263	383176989	/nfs/dbraw/zinc/17/69/89/383176989.db2.gz	MRLKNFRHOQKUGA-MRVPVSSYSA-N	-1	0	286.253	2.785	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1	ZINC000515358591	383159551	/nfs/dbraw/zinc/15/95/51/383159551.db2.gz	DNHFMWBMHDJIQB-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CCCCCSc1n[n-]c(=NC[C@H]2CCCO2)s1	ZINC000562700240	383161782	/nfs/dbraw/zinc/16/17/82/383161782.db2.gz	MTBSPPNTNVPURP-LLVKDONJSA-N	-1	0	299.465	2.999	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)co1	ZINC000567029176	383235225	/nfs/dbraw/zinc/23/52/25/383235225.db2.gz	JJYWJFMUBKFQHM-SNVBAGLBSA-N	-1	0	294.314	2.993	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000567110834	383242623	/nfs/dbraw/zinc/24/26/23/383242623.db2.gz	ALVKCEJKEGDNME-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634899782	383397698	/nfs/dbraw/zinc/39/76/98/383397698.db2.gz	VDHRHUKGMPIQAI-FZMZJTMJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC1CCN(C(=O)c2cc(F)c(F)cc2C(=O)[O-])CC1	ZINC000634904595	383398124	/nfs/dbraw/zinc/39/81/24/383398124.db2.gz	SWOSZRYVDRQZFZ-UHFFFAOYSA-N	-1	0	295.285	2.701	20	30		CFEDRM
C=CCN(C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)C1CC1	ZINC000634910433	383399992	/nfs/dbraw/zinc/39/99/92/383399992.db2.gz	BFUBOKRMHGWCQQ-HNNXBMFYSA-N	-1	0	293.388	2.658	20	30		CFEDRM
C=CCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634914558	383401695	/nfs/dbraw/zinc/40/16/95/383401695.db2.gz	XQESIBUGGNUSOL-OAHLLOKOSA-N	-1	0	295.766	2.717	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCC2)C1	ZINC000634928591	383408080	/nfs/dbraw/zinc/40/80/80/383408080.db2.gz	QNWGLHXOMXXHDY-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000634945130	383416428	/nfs/dbraw/zinc/41/64/28/383416428.db2.gz	LPHVPGQBXYHSMG-VIFPVBQESA-N	-1	0	295.285	2.844	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634933377	383410462	/nfs/dbraw/zinc/41/04/62/383410462.db2.gz	XMOPEDGFHUFSMQ-AWEZNQCLSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000634939543	383412895	/nfs/dbraw/zinc/41/28/95/383412895.db2.gz	KJBCARHENPVZAH-ZIAGYGMSSA-N	-1	0	273.332	2.707	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2C(=O)[O-])C1	ZINC000634938719	383412927	/nfs/dbraw/zinc/41/29/27/383412927.db2.gz	QORNZZSCBUNLRX-SECBINFHSA-N	-1	0	295.285	2.701	20	30		CFEDRM
C=CCCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634832564	383372827	/nfs/dbraw/zinc/37/28/27/383372827.db2.gz	HRBSMJMGRJBJGU-INIZCTEOSA-N	-1	0	293.338	2.641	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634941468	383414386	/nfs/dbraw/zinc/41/43/86/383414386.db2.gz	CZMIBJJWUKGYCS-IUODEOHRSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1	ZINC000472651598	383380786	/nfs/dbraw/zinc/38/07/86/383380786.db2.gz	FIZHFXAVGLLAHE-UHFFFAOYSA-N	-1	0	288.307	2.835	20	30		CFEDRM
C=CCN(CC=C)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634851411	383381719	/nfs/dbraw/zinc/38/17/19/383381719.db2.gz	GJPLNWXUHMVEDH-OAHLLOKOSA-N	-1	0	293.388	2.681	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1n[nH]c2c1cccc2Cl	ZINC000427775416	383417054	/nfs/dbraw/zinc/41/70/54/383417054.db2.gz	UEAVPLIJEJJIPD-UHFFFAOYSA-N	-1	0	299.783	2.924	20	30		CFEDRM
CC(C)(CCC#N)CN=c1nc(C2CC2)[n-]s1	ZINC000340940542	383507435	/nfs/dbraw/zinc/50/74/35/383507435.db2.gz	OUMSZGZNXNHFQC-UHFFFAOYSA-N	-1	0	250.371	2.579	20	30		CFEDRM
CC(C)Cc1nc(=Nc2cccc(CC#N)c2)s[n-]1	ZINC000450895422	383540326	/nfs/dbraw/zinc/54/03/26/383540326.db2.gz	XQKJRPKLMUGHII-UHFFFAOYSA-N	-1	0	272.377	2.968	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000262953584	383647010	/nfs/dbraw/zinc/64/70/10/383647010.db2.gz	QWVCTZJGEZJTGM-GJZGRUSLSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000262994096	383648178	/nfs/dbraw/zinc/64/81/78/383648178.db2.gz	VOOGKKPVXZTAJB-AWEZNQCLSA-N	-1	0	275.348	2.545	20	30		CFEDRM
Cc1c(C#N)c(N2CCC(C(=O)[O-])CC2)nc2ccccc12	ZINC000263499424	383672428	/nfs/dbraw/zinc/67/24/28/383672428.db2.gz	KLWPHHKKDQHIDQ-UHFFFAOYSA-N	-1	0	295.342	2.716	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000646175853	383908014	/nfs/dbraw/zinc/90/80/14/383908014.db2.gz	VVSCKJUBHWGLIW-QWHCGFSZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C(CNC(=O)c1ccc(F)cc1[O-])c1ccccc1	ZINC000436732023	383885285	/nfs/dbraw/zinc/88/52/85/383885285.db2.gz	BMQVTEAEVKGEIZ-UHFFFAOYSA-N	-1	0	271.291	2.975	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000573199754	383890090	/nfs/dbraw/zinc/89/00/90/383890090.db2.gz	DNRGSKXKFZUHHT-UFBFGSQYSA-N	-1	0	299.729	2.506	20	30		CFEDRM
C=CCC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCC1	ZINC000573672575	383969974	/nfs/dbraw/zinc/96/99/74/383969974.db2.gz	NYBSXEAPWJDWSD-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCOCCCC(=O)N1CCCc2cccc(O)c21	ZINC000271004759	385298443	/nfs/dbraw/zinc/29/84/43/385298443.db2.gz	YWSBLVDVUAABGI-UHFFFAOYSA-N	-1	0	275.348	2.654	20	30		CFEDRM
C[C@@H](C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000336446996	533119668	/nfs/dbraw/zinc/11/96/68/533119668.db2.gz	MQAUDEAOAPUUSD-YFKPBYRVSA-N	-1	0	259.092	2.797	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC1	ZINC000331953920	533128329	/nfs/dbraw/zinc/12/83/29/533128329.db2.gz	KKADVSHEYJVCFY-QMMMGPOBSA-N	-1	0	296.729	2.949	20	30		CFEDRM
C=CCCCCNC(=O)c1c([O-])cc(F)cc1F	ZINC000681201457	542423547	/nfs/dbraw/zinc/42/35/47/542423547.db2.gz	HURWDWTZAWFJIR-UHFFFAOYSA-N	-1	0	255.264	2.757	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000521042243	260036882	/nfs/dbraw/zinc/03/68/82/260036882.db2.gz	AVXOPWHZLAYITF-SNVBAGLBSA-N	-1	0	288.376	2.973	20	30		CFEDRM
N#Cc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1	ZINC000355363555	130290437	/nfs/dbraw/zinc/29/04/37/130290437.db2.gz	CWSAKZKEPFZVMF-PLNGDYQASA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237604224	131046275	/nfs/dbraw/zinc/04/62/75/131046275.db2.gz	CPEKFSYKBUXEFQ-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2ccccc2[nH]1	ZINC000683901836	542742076	/nfs/dbraw/zinc/74/20/76/542742076.db2.gz	GOYCIWPGSNQYIO-JTQLQIEISA-N	-1	0	292.298	2.918	20	30		CFEDRM
Cc1ccc(O)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188355775	393563727	/nfs/dbraw/zinc/56/37/27/393563727.db2.gz	GEJPJPSRYPVCFU-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
C=CCC1(C(=O)N=c2cc(C)c(C)n[n-]2)CCCC1	ZINC000410492799	393628540	/nfs/dbraw/zinc/62/85/40/393628540.db2.gz	YYTRRAIYXUWIIG-UHFFFAOYSA-N	-1	0	259.353	2.590	20	30		CFEDRM
C#CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000238060998	393795698	/nfs/dbraw/zinc/79/56/98/393795698.db2.gz	MSUBCTCPIKDFBJ-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NCCC(C)(C)C(=O)[O-])c2c1	ZINC000424368729	393840017	/nfs/dbraw/zinc/84/00/17/393840017.db2.gz	AHLVZRLOFQWBCP-UHFFFAOYSA-N	-1	0	297.358	2.750	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1	ZINC000122895685	393973269	/nfs/dbraw/zinc/97/32/69/393973269.db2.gz	NVUHBUMAHYKLQK-KXUVPBGPSA-N	-1	0	278.308	2.534	20	30		CFEDRM
COc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F	ZINC000436944692	394037705	/nfs/dbraw/zinc/03/77/05/394037705.db2.gz	NMLJCMHZPWOHKD-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C#C[C@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000491732234	394057290	/nfs/dbraw/zinc/05/72/90/394057290.db2.gz	QTVVICUNHVPXDF-QMMMGPOBSA-N	-1	0	271.238	2.505	20	30		CFEDRM
CCCCCCCC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000126765874	394035095	/nfs/dbraw/zinc/03/50/95/394035095.db2.gz	XGRVYHIGMNJYJE-UHFFFAOYSA-N	-1	0	267.325	2.955	20	30		CFEDRM
C#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(C)C	ZINC000282266965	394123418	/nfs/dbraw/zinc/12/34/18/394123418.db2.gz	WGBYMUMBJQCPPF-NSHDSACASA-N	-1	0	269.703	2.572	20	30		CFEDRM
CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000451106758	394357893	/nfs/dbraw/zinc/35/78/93/394357893.db2.gz	ZDIVRLOOUOIPCI-UHFFFAOYSA-N	-1	0	297.361	2.532	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1C	ZINC000647377581	395320568	/nfs/dbraw/zinc/32/05/68/395320568.db2.gz	WHJRBCDCASVASF-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cc1Cl	ZINC000647447973	395333246	/nfs/dbraw/zinc/33/32/46/395333246.db2.gz	LBMVMXVJDRKUFE-JOYOIKCWSA-N	-1	0	296.754	2.826	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000648345106	395544418	/nfs/dbraw/zinc/54/44/18/395544418.db2.gz	SKXUOLJILQYMKN-RWMBFGLXSA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=CC[C@H]1CCCN(c2nc(C(=O)[O-])c(C)s2)C1	ZINC000656784145	413226220	/nfs/dbraw/zinc/22/62/20/413226220.db2.gz	ZBJVZQYBOMPNCO-JTQLQIEISA-N	-1	0	266.366	2.942	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(C3CC3)n2)cc1[O-]	ZINC000353703279	163430217	/nfs/dbraw/zinc/43/02/17/163430217.db2.gz	YJGVYMYOBUDLOH-UHFFFAOYSA-N	-1	0	279.299	2.789	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000652089280	413820392	/nfs/dbraw/zinc/82/03/92/413820392.db2.gz	YPHQWVHOQMKROS-STQMWFEESA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)CCCC1	ZINC000665316386	414278606	/nfs/dbraw/zinc/27/86/06/414278606.db2.gz	DIQWNAOWOGOXOI-ZDUSSCGKSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000659152634	414456205	/nfs/dbraw/zinc/45/62/05/414456205.db2.gz	BSZHSXIHNJLLSI-MRVPVSSYSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC000659168547	414460429	/nfs/dbraw/zinc/46/04/29/414460429.db2.gz	XJGDRASXMNXROQ-AAEUAGOBSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCC1	ZINC000659166986	414460671	/nfs/dbraw/zinc/46/06/71/414460671.db2.gz	ZVSLQIGSKVRXJH-OLZOCXBDSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1	ZINC000659169931	414461546	/nfs/dbraw/zinc/46/15/46/414461546.db2.gz	MEFSEWNDASDYQM-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1	ZINC000659170542	414461623	/nfs/dbraw/zinc/46/16/23/414461623.db2.gz	YIWLKFYWJIHWRC-CYBMUJFWSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C2CCC(C(=O)[O-])CC2)C1	ZINC000659169936	414461665	/nfs/dbraw/zinc/46/16/65/414461665.db2.gz	MJDWUZUDYDPRFB-HSBZDZAISA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(=O)[O-])s1	ZINC000659229632	414474524	/nfs/dbraw/zinc/47/45/24/414474524.db2.gz	UIRSJRXVYVVXPP-AOOOYVTPSA-N	-1	0	277.345	2.770	20	30		CFEDRM
C=CCCC1(CNC(=O)NCCCC(=O)[O-])CCCC1	ZINC000659406060	414516998	/nfs/dbraw/zinc/51/69/98/414516998.db2.gz	JYMUCOBAUHBTPF-UHFFFAOYSA-N	-1	0	282.384	2.677	20	30		CFEDRM
C=CCC1(CNC(=O)NCC2(C(=O)[O-])CCC2)CCCC1	ZINC000659405657	414517281	/nfs/dbraw/zinc/51/72/81/414517281.db2.gz	KDDRAONFEWQLBV-UHFFFAOYSA-N	-1	0	294.395	2.677	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000659415868	414517984	/nfs/dbraw/zinc/51/79/84/414517984.db2.gz	NTFHENKVTHMUKR-UONOGXRCSA-N	-1	0	296.411	2.874	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@H](C(=O)[O-])C(C)C)CCCC1	ZINC000659415357	414518606	/nfs/dbraw/zinc/51/86/06/414518606.db2.gz	YXNQJNREVMAELD-LBPRGKRZSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000656486659	414590866	/nfs/dbraw/zinc/59/08/66/414590866.db2.gz	LOZZTJVVIAQTIB-OAHLLOKOSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCOc1cccc(NC(=O)C2(C(=O)[O-])CC=CC2)c1	ZINC000663031589	414646345	/nfs/dbraw/zinc/64/63/45/414646345.db2.gz	BBWNWFRHWFTAJG-UHFFFAOYSA-N	-1	0	287.315	2.611	20	30		CFEDRM
C[C@H](CN(C)c1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000042704301	174847240	/nfs/dbraw/zinc/84/72/40/174847240.db2.gz	VRXICKPKMFLKGL-MRVPVSSYSA-N	-1	0	286.253	2.734	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000344950588	225213463	/nfs/dbraw/zinc/21/34/63/225213463.db2.gz	NMZOPKWOMQJRBB-SNVBAGLBSA-N	-1	0	281.271	2.923	20	30		CFEDRM
N#CC=C([O-])N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1	ZINC000335818045	226875170	/nfs/dbraw/zinc/87/51/70/226875170.db2.gz	FFBCAAYWZXMOQJ-UHFFFAOYSA-N	-1	0	295.129	2.658	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)s1	ZINC000335923501	228166003	/nfs/dbraw/zinc/16/60/03/228166003.db2.gz	ORDNBDARLVUEJJ-UHFFFAOYSA-N	-1	0	292.385	2.923	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000073288799	260165165	/nfs/dbraw/zinc/16/51/65/260165165.db2.gz	COKJGOYXECOYRP-SNVBAGLBSA-N	-1	0	261.387	2.898	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1	ZINC000076910457	260166659	/nfs/dbraw/zinc/16/66/59/260166659.db2.gz	KVMDOARJWSAXSC-QWRGUYRKSA-N	-1	0	261.387	2.755	20	30		CFEDRM
N#CCN(C(=O)c1ccc([O-])c(Cl)c1)C1CCCC1	ZINC000080212431	260178400	/nfs/dbraw/zinc/17/84/00/260178400.db2.gz	PFDIGVUGTNWNRV-UHFFFAOYSA-N	-1	0	278.739	2.954	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2ccc(C)nc21	ZINC000088485587	260232832	/nfs/dbraw/zinc/23/28/32/260232832.db2.gz	BFXDWJJVJOEPGR-LBPRGKRZSA-N	-1	0	289.360	2.587	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2ccccc21	ZINC000088474730	260232896	/nfs/dbraw/zinc/23/28/96/260232896.db2.gz	OCQOEOBLKUHBKD-GFCCVEGCSA-N	-1	0	274.345	2.884	20	30		CFEDRM
C=C(CC)CNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000313493039	260298276	/nfs/dbraw/zinc/29/82/76/260298276.db2.gz	DEGYRLTTXXLARB-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
CC1(C)[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H]2CCO[C@@H]21	ZINC000078052646	260299101	/nfs/dbraw/zinc/29/91/01/260299101.db2.gz	VMMWWPYKHJYCLS-ZMCKQAEWSA-N	-1	0	290.319	2.533	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-]	ZINC000518110711	260343037	/nfs/dbraw/zinc/34/30/37/260343037.db2.gz	UQEXOPHFUFGOAX-BFHYXJOUSA-N	-1	0	294.395	2.674	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)C1CCCC1	ZINC000048519781	260655747	/nfs/dbraw/zinc/65/57/47/260655747.db2.gz	GEJAUGMJVNVERD-UHFFFAOYSA-N	-1	0	289.303	2.800	20	30		CFEDRM
CC(C)c1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354475795	262264021	/nfs/dbraw/zinc/26/40/21/262264021.db2.gz	YEJJZGYAFHHDRR-VIFPVBQESA-N	-1	0	272.333	2.547	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[O-]	ZINC000188213797	262284431	/nfs/dbraw/zinc/28/44/31/262284431.db2.gz	SUZKPMHKGOFZPO-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
C[C@@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1	ZINC000188207054	262284736	/nfs/dbraw/zinc/28/47/36/262284736.db2.gz	YHWMXTSMMHACQB-LLVKDONJSA-N	-1	0	266.300	2.755	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000311761008	262340490	/nfs/dbraw/zinc/34/04/90/262340490.db2.gz	WCVZVKBTIYGRSE-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000286844102	263099826	/nfs/dbraw/zinc/09/98/26/263099826.db2.gz	WIGBKUZMCBUCTM-ZDUSSCGKSA-N	-1	0	275.333	2.995	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000295549865	263179397	/nfs/dbraw/zinc/17/93/97/263179397.db2.gz	MGHPQRLMCTVUQG-WPRPVWTQSA-N	-1	0	296.729	2.997	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2nnc(C)s2)s1	ZINC000340599334	263218196	/nfs/dbraw/zinc/21/81/96/263218196.db2.gz	YVZGHKKHXRKOPQ-LURJTMIESA-N	-1	0	299.450	2.571	20	30		CFEDRM
N#C[C@H](NC(=O)c1c(O)cccc1F)C1CCCCC1	ZINC000187689863	263265585	/nfs/dbraw/zinc/26/55/85/263265585.db2.gz	BNTMIVBMOIBKMA-LBPRGKRZSA-N	-1	0	276.311	2.734	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000120217171	263282949	/nfs/dbraw/zinc/28/29/49/263282949.db2.gz	GQZNNSSTIGGIHF-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCN(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000341439238	263338361	/nfs/dbraw/zinc/33/83/61/263338361.db2.gz	NJHHWYXXGURPIS-UHFFFAOYSA-N	-1	0	288.376	2.667	20	30		CFEDRM
Cc1cnc(C(=O)Nc2nnc(C(C)(C)C)s2)c([O-])c1	ZINC000330871931	264059180	/nfs/dbraw/zinc/05/91/80/264059180.db2.gz	GLXHHLCEUZEQQR-UHFFFAOYSA-N	-1	0	292.364	2.881	20	30		CFEDRM
Cc1cccc(C(=O)N[C@H](C)C[C@H]2CCCO2)c1O	ZINC000331227249	264150502	/nfs/dbraw/zinc/15/05/02/264150502.db2.gz	DLPVLNJRLNOSRK-VXGBXAGGSA-N	-1	0	263.337	2.963	20	30		CFEDRM
C=CCOc1cccc([N-]S(=O)(=O)c2ccco2)c1	ZINC000188809031	264251553	/nfs/dbraw/zinc/25/15/53/264251553.db2.gz	YHCWUGLZTQCKHI-UHFFFAOYSA-N	-1	0	279.317	2.645	20	30		CFEDRM
C=CCN(CCOC)C(=O)c1cc2ccccc2cc1O	ZINC000189416913	264296890	/nfs/dbraw/zinc/29/68/90/264296890.db2.gz	GMSJFVQOGNUYEX-UHFFFAOYSA-N	-1	0	285.343	2.820	20	30		CFEDRM
Cc1csc([C@H](C#N)C(=O)c2cc(C(C)C)nn2C)n1	ZINC000080251889	264392093	/nfs/dbraw/zinc/39/20/93/264392093.db2.gz	YOZJNXQVHCHVOU-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)c1ccccc1	ZINC000190819071	264429627	/nfs/dbraw/zinc/42/96/27/264429627.db2.gz	ZZMHDLJQRLDHCM-XJKCOSOUSA-N	-1	0	289.375	2.962	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000357662159	266341928	/nfs/dbraw/zinc/34/19/28/266341928.db2.gz	OCQAOVGIXVBURN-NSHDSACASA-N	-1	0	280.287	2.658	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1	ZINC000361959295	266912641	/nfs/dbraw/zinc/91/26/41/266912641.db2.gz	LGGWEHIVSPMULE-NSHDSACASA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(SCC)s1	ZINC000362953282	267066367	/nfs/dbraw/zinc/06/63/67/267066367.db2.gz	YFGBHYPHVAHQEU-SECBINFHSA-N	-1	0	298.437	2.644	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1cnc2ccccc2n1	ZINC000429562988	268207358	/nfs/dbraw/zinc/20/73/58/268207358.db2.gz	AQISGWCVVQUQOA-NSHDSACASA-N	-1	0	288.266	2.585	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC3CCC2CC3)[n-]1	ZINC000334514530	280763080	/nfs/dbraw/zinc/76/30/80/280763080.db2.gz	ZGNISVSWEZWBGL-ORHYLEIMSA-N	-1	0	286.379	2.522	20	30		CFEDRM
CC(=Cc1ccc(F)cc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608835	280915548	/nfs/dbraw/zinc/91/55/48/280915548.db2.gz	DSPRREJZSDKJDG-POHAHGRESA-N	-1	0	283.306	2.958	20	30		CFEDRM
Cc1ccc(-c2ccc(CC#N)cn2)cc1C(=O)[O-]	ZINC001243192941	782052920	/nfs/dbraw/zinc/05/29/20/782052920.db2.gz	AUHUZVBZSVCZJO-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@H]2N=c1[n-]nc(C(F)F)o1	ZINC000561242442	282050301	/nfs/dbraw/zinc/05/03/01/282050301.db2.gz	GKMRBONRYQFBRF-LLVKDONJSA-N	-1	0	290.273	2.790	20	30		CFEDRM
C[C@H](N=c1[n-]c(C2CCC2)no1)c1ccc(C#N)cc1	ZINC000565991277	290339256	/nfs/dbraw/zinc/33/92/56/290339256.db2.gz	MBXKWBFXJZCCTD-JTQLQIEISA-N	-1	0	268.320	2.804	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3ccccc32)C1	ZINC000263166956	297343972	/nfs/dbraw/zinc/34/39/72/297343972.db2.gz	IZKRJHMZYWUFBF-NEPJUHHUSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(Cl)cc2C#N)C1	ZINC000062933051	300785418	/nfs/dbraw/zinc/78/54/18/300785418.db2.gz	YTNROFPFKQIJIG-ZDUSSCGKSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N(C)C[C@@H](C)C(=O)[O-])c2c1	ZINC000263567324	301927842	/nfs/dbraw/zinc/92/78/42/301927842.db2.gz	XLEKIHMELLBCKD-LLVKDONJSA-N	-1	0	283.331	2.572	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263557163	303180767	/nfs/dbraw/zinc/18/07/67/303180767.db2.gz	PCBMITPFBDLTRU-XHDPSFHLSA-N	-1	0	290.750	2.903	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000261827807	303189104	/nfs/dbraw/zinc/18/91/04/303189104.db2.gz	AAGKPHAVYVIIIF-SNVBAGLBSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC(C(=O)[O-])CC1	ZINC000262174688	303203770	/nfs/dbraw/zinc/20/37/70/303203770.db2.gz	VQJXEZLXSDSEGT-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnc(C#N)c(F)c1	ZINC001243203737	782064637	/nfs/dbraw/zinc/06/46/37/782064637.db2.gz	HEQAXMCXAIVKRH-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2ccc(C(=O)[O-])c(C)c2)nc1	ZINC001243211479	782072238	/nfs/dbraw/zinc/07/22/38/782072238.db2.gz	GYGZHHVHRXYXRU-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2)c(/C=N/O)c1	ZINC001243212670	782072996	/nfs/dbraw/zinc/07/29/96/782072996.db2.gz	QQEXDNRUFGDQSY-CAOOACKPSA-N	-1	0	270.288	2.872	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243214152	782075350	/nfs/dbraw/zinc/07/53/50/782075350.db2.gz	MPZKOVIXUCGFOO-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2)c(C#N)n1	ZINC001243214427	782075142	/nfs/dbraw/zinc/07/51/42/782075142.db2.gz	JIZYFIMQEOOZMU-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CC(C)(CC#N)CN=c1nc(-c2ccccc2)[n-]s1	ZINC000413412221	328145879	/nfs/dbraw/zinc/14/58/79/328145879.db2.gz	RYXIPAWGNJQQCE-UHFFFAOYSA-N	-1	0	272.377	2.979	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCOC3(CCC3)C2)c1	ZINC000269024367	328188881	/nfs/dbraw/zinc/18/88/81/328188881.db2.gz	JNZRQXVGAMGPSR-HMHNVIDESA-N	-1	0	290.319	2.821	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCc1cccnc1	ZINC000272647266	328200427	/nfs/dbraw/zinc/20/04/27/328200427.db2.gz	OYBRVCJIZGJIBL-AWEZNQCLSA-N	-1	0	293.367	2.601	20	30		CFEDRM
CC(C)O[C@@H]1C[C@H](/N=C/c2ccc(O)c(O)c2O)C1(C)C	ZINC000274200833	328209628	/nfs/dbraw/zinc/20/96/28/328209628.db2.gz	MXBXJANOLJPTKJ-ZTJLBNCBSA-N	-1	0	293.363	2.814	20	30		CFEDRM
Cc1cccc(CCC/N=C/c2ccc(O)c(O)c2O)n1	ZINC000284916289	328246873	/nfs/dbraw/zinc/24/68/73/328246873.db2.gz	BJNSCYSVSYDIDZ-LICLKQGHSA-N	-1	0	286.331	2.559	20	30		CFEDRM
Cc1cccc2c1N(C(=O)c1ccc(C#N)c([O-])c1)CC2	ZINC000188755848	324020012	/nfs/dbraw/zinc/02/00/12/324020012.db2.gz	FIJNIKBBEYUGHJ-UHFFFAOYSA-N	-1	0	278.311	2.775	20	30		CFEDRM
CC(=Cc1ccc(C)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614433	324075081	/nfs/dbraw/zinc/07/50/81/324075081.db2.gz	AWJUYQZGSGXQCT-POHAHGRESA-N	-1	0	283.306	2.958	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000425473190	328488183	/nfs/dbraw/zinc/48/81/83/328488183.db2.gz	KBFHLBPXGRZDIQ-UHFFFAOYSA-N	-1	0	267.398	2.798	20	30		CFEDRM
Cc1c(Cl)cnc(N2CCC[C@@H](CC(=O)[O-])C2)c1C#N	ZINC000577830691	324783953	/nfs/dbraw/zinc/78/39/53/324783953.db2.gz	VFFJBBQGQYCYOR-JTQLQIEISA-N	-1	0	293.754	2.606	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262792158	326949320	/nfs/dbraw/zinc/94/93/20/326949320.db2.gz	BYQMWZUXKBTFJA-KGLIPLIRSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000584180243	327060387	/nfs/dbraw/zinc/06/03/87/327060387.db2.gz	GTFVJAUCOOITPW-GFCCVEGCSA-N	-1	0	296.392	2.919	20	30		CFEDRM
CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(CC#N)c1	ZINC000263571051	327086044	/nfs/dbraw/zinc/08/60/44/327086044.db2.gz	IXMWGQKUFXFUCO-UHFFFAOYSA-N	-1	0	289.335	2.518	20	30		CFEDRM
C=CCCC[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000518540439	327172517	/nfs/dbraw/zinc/17/25/17/327172517.db2.gz	MZDSKRHEWRXPDE-VIFPVBQESA-N	-1	0	293.323	2.575	20	30		CFEDRM
N#C[C@H](CO)Cc1cccc(-c2ccccc2C(=O)[O-])c1	ZINC000582124707	327304626	/nfs/dbraw/zinc/30/46/26/327304626.db2.gz	PNWSZIUIFQDPIX-CYBMUJFWSA-N	-1	0	281.311	2.726	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000398200265	329438260	/nfs/dbraw/zinc/43/82/60/329438260.db2.gz	DZTQBJXYCHXSLX-LBPRGKRZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
N#C[C@@H]1CC[C@H](N=c2[n-]nc(Cc3ccccc3)s2)C1	ZINC000425273486	329654299	/nfs/dbraw/zinc/65/42/99/329654299.db2.gz	OSDYRLQYFWKTMS-OLZOCXBDSA-N	-1	0	284.388	2.655	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CC1(C(=O)[O-])CCC1	ZINC000262517294	330019293	/nfs/dbraw/zinc/01/92/93/330019293.db2.gz	NDZWMKVLPWNWOA-UHFFFAOYSA-N	-1	0	293.388	2.908	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000262746085	330029038	/nfs/dbraw/zinc/02/90/38/330029038.db2.gz	ANOBNWVUKDIGTN-GFCCVEGCSA-N	-1	0	253.342	2.589	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1cccc(F)c1)C(=O)[O-]	ZINC000262773836	330030621	/nfs/dbraw/zinc/03/06/21/330030621.db2.gz	ANFZMDRRVOJPSU-ZDUSSCGKSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000262796396	330032016	/nfs/dbraw/zinc/03/20/16/330032016.db2.gz	CFWVGGIXMGRQAS-ZFWWWQNUSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)[O-]	ZINC000262853825	330035320	/nfs/dbraw/zinc/03/53/20/330035320.db2.gz	IBOGBONSVOYPBB-GFCCVEGCSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000262905585	330036786	/nfs/dbraw/zinc/03/67/86/330036786.db2.gz	MSFDHTNQEHMECD-ZWNOBZJWSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262982513	330037963	/nfs/dbraw/zinc/03/79/63/330037963.db2.gz	UNGVMRYNEGVQSY-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C/C=C/C)C(=O)[O-])c1ccccc1	ZINC000263312506	330052157	/nfs/dbraw/zinc/05/21/57/330052157.db2.gz	XWPPDHZIZDNRDQ-UFYXKPLISA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000263314095	330052212	/nfs/dbraw/zinc/05/22/12/330052212.db2.gz	YJHIAFGEESSEHR-SWLSCSKDSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CC[C@H]1N(C(=O)NCCCC(=O)[O-])CCCC1(C)C	ZINC000263460527	330056987	/nfs/dbraw/zinc/05/69/87/330056987.db2.gz	IRTFDXWLBBCFIA-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCC1	ZINC000263542575	330059136	/nfs/dbraw/zinc/05/91/36/330059136.db2.gz	RQGOXFUIKOXHCR-OAHLLOKOSA-N	-1	0	299.370	2.943	20	30		CFEDRM
C#CCN(C(=O)c1cc2c(cc1O)CCCC2)C1CC1	ZINC000274118775	330103872	/nfs/dbraw/zinc/10/38/72/330103872.db2.gz	SFVHLSDVGBFSMI-UHFFFAOYSA-N	-1	0	269.344	2.509	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)nc1	ZINC000422115257	330125281	/nfs/dbraw/zinc/12/52/81/330125281.db2.gz	BWSBLZXNVDTRHH-GFCCVEGCSA-N	-1	0	280.331	2.659	20	30		CFEDRM
C=CC(C)(C)CCN=c1[n-]nc(C(F)(F)F)s1	ZINC000528076577	330305507	/nfs/dbraw/zinc/30/55/07/330305507.db2.gz	ZQLJRFGFVFLZDX-UHFFFAOYSA-N	-1	0	265.304	2.993	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436891006	330687927	/nfs/dbraw/zinc/68/79/27/330687927.db2.gz	DVUYITZUCWTNKT-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000449001936	330890638	/nfs/dbraw/zinc/89/06/38/330890638.db2.gz	LSCDSZWIWCCXBD-JSGCOSHPSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCC1	ZINC000450511556	330984440	/nfs/dbraw/zinc/98/44/40/330984440.db2.gz	BNJBMGVHRZBMFF-GFCCVEGCSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(CC)o2)cc1Cl	ZINC000453049614	331084803	/nfs/dbraw/zinc/08/48/03/331084803.db2.gz	DSBKRMLQJRVPFM-UHFFFAOYSA-N	-1	0	293.754	2.884	20	30		CFEDRM
CC(C)c1n[n-]c(=NCC2CCC(C#N)CC2)s1	ZINC000575741854	335110772	/nfs/dbraw/zinc/11/07/72/335110772.db2.gz	JVVOBSSMGBEJGP-UHFFFAOYSA-N	-1	0	264.398	2.825	20	30		CFEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc2ccccc2o1	ZINC000177731966	333062504	/nfs/dbraw/zinc/06/25/04/333062504.db2.gz	IXJOYMUGFHKQGN-NSHDSACASA-N	-1	0	281.246	2.852	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)C(=O)[O-]	ZINC000316356055	333388723	/nfs/dbraw/zinc/38/87/23/333388723.db2.gz	PGXDSEMBQGOEAS-PLSXKVAHSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000263006693	334583384	/nfs/dbraw/zinc/58/33/84/334583384.db2.gz	WVPDDTXFLTVCAZ-LLVKDONJSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000566506932	334653339	/nfs/dbraw/zinc/65/33/39/334653339.db2.gz	KPRFMBISSNZOLZ-RYUDHWBXSA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=CCCCCCNC(=O)N=c1[n-]nc(C(F)F)s1	ZINC000573263535	334922640	/nfs/dbraw/zinc/92/26/40/334922640.db2.gz	AGRCKIATSDHXMK-UHFFFAOYSA-N	-1	0	290.339	2.766	20	30		CFEDRM
C=CC(C)(C)CNC(=O)CC(CC)(CC)C(=O)[O-]	ZINC000384888689	336133729	/nfs/dbraw/zinc/13/37/29/336133729.db2.gz	XHXLNRFCXWJGSL-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
N#Cc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243322576	782136677	/nfs/dbraw/zinc/13/66/77/782136677.db2.gz	HWSXZYUZLQJOOA-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
Cc1nnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1C	ZINC001243323130	782137283	/nfs/dbraw/zinc/13/72/83/782137283.db2.gz	PSCBZZMIXPAIEM-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
C=CCCC(=O)NCc1ccc(OCCCC(=O)[O-])cc1	ZINC000237992435	534617819	/nfs/dbraw/zinc/61/78/19/534617819.db2.gz	UGPALOSZNRRPCJ-UHFFFAOYSA-N	-1	0	291.347	2.513	20	30		CFEDRM
Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230342539	524950049	/nfs/dbraw/zinc/95/00/49/524950049.db2.gz	IGBMMTKBFRHYTI-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1c(C#N)c(N2CCC[C@@H](C(=O)[O-])C2)nc2ccccc12	ZINC000263403591	525531803	/nfs/dbraw/zinc/53/18/03/525531803.db2.gz	JUZQHUWFJACSDY-GFCCVEGCSA-N	-1	0	295.342	2.716	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)N(C)c2ccccc2)cc1C#N	ZINC000336353173	526215040	/nfs/dbraw/zinc/21/50/40/526215040.db2.gz	RGSUXUYSDDNQHI-UHFFFAOYSA-N	-1	0	299.355	2.657	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc3c(cn2)CCCC3)cc1[O-]	ZINC000361197374	526601229	/nfs/dbraw/zinc/60/12/29/526601229.db2.gz	GQBUKPCNBNJBOR-UHFFFAOYSA-N	-1	0	293.326	2.790	20	30		CFEDRM
N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)c(F)c1	ZINC000050924004	526643194	/nfs/dbraw/zinc/64/31/94/526643194.db2.gz	UXMPGXRCSVJVJC-UHFFFAOYSA-N	-1	0	276.311	2.779	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1	ZINC000049447086	526721553	/nfs/dbraw/zinc/72/15/53/526721553.db2.gz	RQUZJSUYMATMGU-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(C)(C)C)o2)cc1	ZINC000351984612	526874943	/nfs/dbraw/zinc/87/49/43/526874943.db2.gz	YNMNRTHJUZRDNU-UHFFFAOYSA-N	-1	0	287.363	2.966	20	30		CFEDRM
CC(C)(C)c1[n-]n(C[C@@H]2CCCO2)c(=O)c1CCC#N	ZINC000347884709	526886787	/nfs/dbraw/zinc/88/67/87/526886787.db2.gz	GSLBJCGQBODRQS-NSHDSACASA-N	-1	0	277.368	2.521	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(-c2ccco2)o1	ZINC000347808624	526935233	/nfs/dbraw/zinc/93/52/33/526935233.db2.gz	FTSWLUNNSOTSBB-UHFFFAOYSA-N	-1	0	297.314	2.928	20	30		CFEDRM
CC(C)Cc1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000421815130	528663524	/nfs/dbraw/zinc/66/35/24/528663524.db2.gz	SYIJOUZQLMYZJB-UHFFFAOYSA-N	-1	0	290.367	2.781	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)N[C@@H]2CC23CCCCC3)s1	ZINC000329105423	528679535	/nfs/dbraw/zinc/67/95/35/528679535.db2.gz	CZSHXQDCKMITCQ-SNVBAGLBSA-N	-1	0	294.424	2.961	20	30		CFEDRM
C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736556242	574059890	/nfs/dbraw/zinc/05/98/90/574059890.db2.gz	LPPNNLRVEFOIHR-BONVTDFDSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@H](CSCCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736613015	574061712	/nfs/dbraw/zinc/06/17/12/574061712.db2.gz	GPKDLRZYSNSTKT-LLVKDONJSA-N	-1	0	279.361	2.781	20	30		CFEDRM
C=CCCCOC(=O)c1cc(OC)c(O)c(OC)c1	ZINC000754278338	574086130	/nfs/dbraw/zinc/08/61/30/574086130.db2.gz	FGSUOQUIXOQIQE-UHFFFAOYSA-N	-1	0	266.293	2.532	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccnc2)s1	ZINC000730589292	574089350	/nfs/dbraw/zinc/08/93/50/574089350.db2.gz	BAACLYAAJUUXGT-ARJAWSKDSA-N	-1	0	259.286	2.737	20	30		CFEDRM
CCCC[C@@H](Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC000736981865	574091054	/nfs/dbraw/zinc/09/10/54/574091054.db2.gz	JFPQKEKKGYBFKE-LLVKDONJSA-N	-1	0	262.309	2.622	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000738489164	574092757	/nfs/dbraw/zinc/09/27/57/574092757.db2.gz	RPYBUFZMWNANLP-LLVKDONJSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000738489168	574092967	/nfs/dbraw/zinc/09/29/67/574092967.db2.gz	RVWWWMCLIBIIMU-LLVKDONJSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000738490393	574094587	/nfs/dbraw/zinc/09/45/87/574094587.db2.gz	STMDQWZVISSSMM-UHFFFAOYSA-N	-1	0	289.335	2.660	20	30		CFEDRM
C=CCCCOC(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000738493430	574095705	/nfs/dbraw/zinc/09/57/05/574095705.db2.gz	NNARPKLLIDAYTC-UHFFFAOYSA-N	-1	0	263.293	2.828	20	30		CFEDRM
CCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000730947899	574104988	/nfs/dbraw/zinc/10/49/88/574104988.db2.gz	OBCUORAYRGSZGY-UHFFFAOYSA-N	-1	0	289.287	2.927	20	30		CFEDRM
CCN(C(=O)c1cccc(C#N)c1)c1ccccc1C(=O)[O-]	ZINC000737060089	574105281	/nfs/dbraw/zinc/10/52/81/574105281.db2.gz	YGPRJFLKIKJCRL-UHFFFAOYSA-N	-1	0	294.310	2.923	20	30		CFEDRM
Cc1ncccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000728777901	574108635	/nfs/dbraw/zinc/10/86/35/574108635.db2.gz	MVRFRQTXYCQICR-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\C[C@H](CC(C)C)C(=O)[O-])c1	ZINC000737203662	574118284	/nfs/dbraw/zinc/11/82/84/574118284.db2.gz	RBOUFVSMRSDPGX-OLWAXZHHSA-N	-1	0	293.363	2.957	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H](C3CC3)C2)n1	ZINC000737413651	574138806	/nfs/dbraw/zinc/13/88/06/574138806.db2.gz	JTLFACZGMFGJNA-LLVKDONJSA-N	-1	0	260.341	2.859	20	30		CFEDRM
CC(=O)Nc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000755453851	574163222	/nfs/dbraw/zinc/16/32/22/574163222.db2.gz	CRDWMVBMHMOEMN-UHFFFAOYSA-N	-1	0	297.314	2.789	20	30		CFEDRM
Cc1ccc2ncc(C=NNc3ccc(C(=O)[O-])cc3)n2c1	ZINC000755454976	574163323	/nfs/dbraw/zinc/16/33/23/574163323.db2.gz	JGNQGKGDWIKFTI-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cn1	ZINC000732714852	574167236	/nfs/dbraw/zinc/16/72/36/574167236.db2.gz	YZEGOANOPPFITR-VMPITWQZSA-N	-1	0	298.342	2.987	20	30		CFEDRM
N#Cc1ccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1	ZINC000738432231	574169154	/nfs/dbraw/zinc/16/91/54/574169154.db2.gz	FOHFUEGLQSTUSZ-UHFFFAOYSA-N	-1	0	296.282	2.796	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738487728	574171193	/nfs/dbraw/zinc/17/11/93/574171193.db2.gz	BLQLPOPHVHFOBH-MRVPVSSYSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CC(C)(C)NC(=O)[O-]	ZINC000738493000	574171768	/nfs/dbraw/zinc/17/17/68/574171768.db2.gz	WTUCYXQVQCUZQC-UHFFFAOYSA-N	-1	0	296.392	2.699	20	30		CFEDRM
C=C(Br)COC(=O)c1c(F)cc([O-])cc1F	ZINC000746985935	574174496	/nfs/dbraw/zinc/17/44/96/574174496.db2.gz	LZQNCCHNCOAETE-UHFFFAOYSA-N	-1	0	293.063	2.736	20	30		CFEDRM
O=C([O-])c1ccc(-c2ccc(C=NNCC(F)F)o2)cc1	ZINC000738679882	574180041	/nfs/dbraw/zinc/18/00/41/574180041.db2.gz	XFKBOABBNOCSIP-UHFFFAOYSA-N	-1	0	294.257	2.833	20	30		CFEDRM
Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738798454	574185061	/nfs/dbraw/zinc/18/50/61/574185061.db2.gz	KTMQLQDVKYQPKL-CQSZACIVSA-N	-1	0	286.356	2.844	20	30		CFEDRM
CC(C)C[C@@H](C#N)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738801098	574185354	/nfs/dbraw/zinc/18/53/54/574185354.db2.gz	ADKGSZUTDHQVTO-JTQLQIEISA-N	-1	0	293.298	2.584	20	30		CFEDRM
CC(=NNc1cnnc([O-])c1Cl)C1CCCC1	ZINC000733076825	574186388	/nfs/dbraw/zinc/18/63/88/574186388.db2.gz	VDHRZEWMMYSCGI-UHFFFAOYSA-N	-1	0	254.721	2.814	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cccc(C(=O)[O-])c1	ZINC000755813443	574189101	/nfs/dbraw/zinc/18/91/01/574189101.db2.gz	GPLDZPPKYZGWJS-CYBMUJFWSA-N	-1	0	263.293	2.652	20	30		CFEDRM
Cc1nnc(Nc2ccc(CCC(=O)[O-])cc2)c(C#N)c1C	ZINC000738932029	574190889	/nfs/dbraw/zinc/19/08/89/574190889.db2.gz	OUJYQMBSPYFKIY-UHFFFAOYSA-N	-1	0	296.330	2.726	20	30		CFEDRM
Cc1oc(C=NNCc2ccc(F)cc2F)cc1C(=O)[O-]	ZINC000738970238	574192221	/nfs/dbraw/zinc/19/22/21/574192221.db2.gz	SKBOPYDIDPIKIN-UHFFFAOYSA-N	-1	0	294.257	2.688	20	30		CFEDRM
N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000739075699	574196545	/nfs/dbraw/zinc/19/65/45/574196545.db2.gz	UZCJERGGLIECPW-AWEZNQCLSA-N	-1	0	294.310	2.589	20	30		CFEDRM
N#CCOc1cccc(/C=C(/C(=O)[O-])c2ccncc2)c1	ZINC000739087644	574197307	/nfs/dbraw/zinc/19/73/07/574197307.db2.gz	LNZYDMGNYSUKBW-RVDMUPIBSA-N	-1	0	280.283	2.609	20	30		CFEDRM
N#Cc1ccc([C@H](Sc2ccccn2)C(=O)[O-])cc1	ZINC000739118135	574199095	/nfs/dbraw/zinc/19/90/95/574199095.db2.gz	OISCNUKKCHQRLA-ZDUSSCGKSA-N	-1	0	270.313	2.871	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000739115981	574199170	/nfs/dbraw/zinc/19/91/70/574199170.db2.gz	WQKVKEZYFVZDRG-CQSZACIVSA-N	-1	0	281.267	2.541	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739115909	574199214	/nfs/dbraw/zinc/19/92/14/574199214.db2.gz	WENPAQHPMUADDN-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc(F)c(COc2ccc(C(=O)[O-])cc2C=O)c1	ZINC000739117543	574199263	/nfs/dbraw/zinc/19/92/63/574199263.db2.gz	GLBJOLFLACZTEN-UHFFFAOYSA-N	-1	0	299.257	2.787	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])C1	ZINC000739328222	574208060	/nfs/dbraw/zinc/20/80/60/574208060.db2.gz	CMMUBXLDNLFRGA-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C[C@H](NN=Cc1cccc(OCC(=O)[O-])c1)c1ccccc1	ZINC000733203556	574210727	/nfs/dbraw/zinc/21/07/27/574210727.db2.gz	PQWNCWBNFUTEQR-ZDUSSCGKSA-N	-1	0	298.342	2.835	20	30		CFEDRM
CCN(CCC#N)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000739414164	574212746	/nfs/dbraw/zinc/21/27/46/574212746.db2.gz	FGLLJFYSUNGZGY-UHFFFAOYSA-N	-1	0	295.726	2.806	20	30		CFEDRM
CN(C(=O)[O-])[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000739586898	574220305	/nfs/dbraw/zinc/22/03/05/574220305.db2.gz	JWIYEADDLNCMMX-LBPRGKRZSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CN(C(=O)[O-])[C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1	ZINC000739586705	574220399	/nfs/dbraw/zinc/22/03/99/574220399.db2.gz	IFQKMLYBWAVHAK-GFCCVEGCSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CN(CC#N)C(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000739617428	574220973	/nfs/dbraw/zinc/22/09/73/574220973.db2.gz	QAQYDAXQBGDRSM-UHFFFAOYSA-N	-1	0	283.287	2.525	20	30		CFEDRM
CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])on1	ZINC000748003292	574224604	/nfs/dbraw/zinc/22/46/04/574224604.db2.gz	GBKPJGFVHZRSAZ-UHFFFAOYSA-N	-1	0	271.276	2.628	20	30		CFEDRM
O=C([O-])CSCC/N=C\c1c(O)ccc2ccccc21	ZINC000739858290	574226242	/nfs/dbraw/zinc/22/62/42/574226242.db2.gz	UDSZAWTXBIFDGI-SXGWCWSVSA-N	-1	0	289.356	2.782	20	30		CFEDRM
COc1cc(NC[C@H](C#N)CCC#N)ccc1NC(=O)[O-]	ZINC000739867477	574227132	/nfs/dbraw/zinc/22/71/32/574227132.db2.gz	BPINJWDWTRGOHJ-JTQLQIEISA-N	-1	0	288.307	2.641	20	30		CFEDRM
C=CCC[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000756379516	574230630	/nfs/dbraw/zinc/23/06/30/574230630.db2.gz	MXHFNOIQHOPTLB-NSHDSACASA-N	-1	0	282.409	2.950	20	30		CFEDRM
Cc1cc(C)c(C#N)c(SC[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000740063330	574234474	/nfs/dbraw/zinc/23/44/74/574234474.db2.gz	JTWUGIKJSNTOEH-LLVKDONJSA-N	-1	0	291.376	2.662	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(CN=Nc3ccc(F)cn3)c2c1	ZINC000740188536	574242130	/nfs/dbraw/zinc/24/21/30/574242130.db2.gz	BBHXRATYWCRSJL-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCCN(C(=O)[O-])C2)c(F)c1	ZINC000740317945	574246437	/nfs/dbraw/zinc/24/64/37/574246437.db2.gz	UFNWVUDAJIYJCN-NSHDSACASA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCCC1	ZINC000740311241	574246772	/nfs/dbraw/zinc/24/67/72/574246772.db2.gz	ZUTKBSCHQREUTN-UHFFFAOYSA-N	-1	0	291.282	2.938	20	30		CFEDRM
N#Cc1cccc(NC(=O)Nc2ccc(NC(=O)[O-])nc2)c1	ZINC000740323577	574246986	/nfs/dbraw/zinc/24/69/86/574246986.db2.gz	QLQWUNXTXIVTFL-UHFFFAOYSA-N	-1	0	297.274	2.687	20	30		CFEDRM
N#Cc1ccc(SC[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740320484	574247037	/nfs/dbraw/zinc/24/70/37/574247037.db2.gz	RXDFWERFNWIVFZ-NSHDSACASA-N	-1	0	262.334	2.650	20	30		CFEDRM
N#Cc1nc(NCCCN(C(=O)[O-])C2CC2)ccc1Cl	ZINC000740325893	574247228	/nfs/dbraw/zinc/24/72/28/574247228.db2.gz	YXWIMQJNHBIODN-UHFFFAOYSA-N	-1	0	294.742	2.551	20	30		CFEDRM
O=C([O-])N(CC/N=C/c1cc(Cl)ccc1O)C1CC1	ZINC000740488743	574251159	/nfs/dbraw/zinc/25/11/59/574251159.db2.gz	JLUIJYUJVBUECK-OVCLIPMQSA-N	-1	0	282.727	2.607	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O	ZINC000740521677	574253690	/nfs/dbraw/zinc/25/36/90/574253690.db2.gz	UELOEYQGUHMVJK-ZLYHGVDXSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc(F)c1	ZINC000740620717	574258450	/nfs/dbraw/zinc/25/84/50/574258450.db2.gz	RZIMCXYDSUFVBG-SECBINFHSA-N	-1	0	265.288	2.661	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccc(F)cc1	ZINC000740620015	574258520	/nfs/dbraw/zinc/25/85/20/574258520.db2.gz	LHXDDKNUPZIOQF-SECBINFHSA-N	-1	0	265.288	2.661	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)ccc1O	ZINC000740619730	574258588	/nfs/dbraw/zinc/25/85/88/574258588.db2.gz	IBPOJMSGIBTXPY-GZVYUTAGSA-N	-1	0	296.754	2.901	20	30		CFEDRM
C#CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000756846397	574267926	/nfs/dbraw/zinc/26/79/26/574267926.db2.gz	JCRICMGHMZNWSF-CQSZACIVSA-N	-1	0	287.359	2.758	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C[C@H]1CCOC1	ZINC000756905804	574271818	/nfs/dbraw/zinc/27/18/18/574271818.db2.gz	LBPXZEOPRWCWEB-LLVKDONJSA-N	-1	0	292.335	2.608	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cnc(C)nc1C	ZINC000741448753	574290487	/nfs/dbraw/zinc/29/04/87/574290487.db2.gz	FLVLGABCNXRLQP-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1)[C@H]1CCOC1	ZINC000741838431	574306090	/nfs/dbraw/zinc/30/60/90/574306090.db2.gz	VSRNWZPHEKOODV-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000739400500	574306584	/nfs/dbraw/zinc/30/65/84/574306584.db2.gz	BUEQSVJFLFJPIP-SECBINFHSA-N	-1	0	293.298	2.537	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2nccs2)cc1	ZINC000735228943	574316095	/nfs/dbraw/zinc/31/60/95/574316095.db2.gz	LUDHCQNXOFTQFP-WAYWQWQTSA-N	-1	0	273.313	2.666	20	30		CFEDRM
C=CCCNc1cc(-c2nn[nH]n2)ccc1OC(C)C	ZINC000735413176	574322862	/nfs/dbraw/zinc/32/28/62/574322862.db2.gz	PGRNGVNUSUDOQG-UHFFFAOYSA-N	-1	0	273.340	2.642	20	30		CFEDRM
C=C(C)CN(CC(C)C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735399040	574323466	/nfs/dbraw/zinc/32/34/66/574323466.db2.gz	ODYOGEZQGCPCSC-UHFFFAOYSA-N	-1	0	271.368	2.905	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000736107999	574350192	/nfs/dbraw/zinc/35/01/92/574350192.db2.gz	FXXCFVLLDBVQIT-CQSZACIVSA-N	-1	0	296.411	2.874	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736102714	574350198	/nfs/dbraw/zinc/35/01/98/574350198.db2.gz	TYUGZMLITSZVAS-SECBINFHSA-N	-1	0	296.298	2.835	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736094407	574350671	/nfs/dbraw/zinc/35/06/71/574350671.db2.gz	FAACNQYFTNEYHG-UHFFFAOYSA-N	-1	0	269.688	2.651	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000736096463	574351114	/nfs/dbraw/zinc/35/11/14/574351114.db2.gz	NHVCBUSFZLPGDI-LLVKDONJSA-N	-1	0	291.351	2.583	20	30		CFEDRM
C=CC1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1	ZINC000736095947	574351197	/nfs/dbraw/zinc/35/11/97/574351197.db2.gz	DETVJMYGZKEXMG-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1	ZINC000736096620	574351259	/nfs/dbraw/zinc/35/12/59/574351259.db2.gz	REINCRFLMCXIQE-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
C=CCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736098114	574351288	/nfs/dbraw/zinc/35/12/88/574351288.db2.gz	RWNHNHGZHSTKQD-GFCCVEGCSA-N	-1	0	268.696	2.975	20	30		CFEDRM
C/C(=C\CSc1nc(C)cc(C)c1C#N)C(=O)[O-]	ZINC000736120835	574351829	/nfs/dbraw/zinc/35/18/29/574351829.db2.gz	DWYBWPYWOCTMTF-XBXARRHUSA-N	-1	0	262.334	2.693	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)c1ccc(C(=O)[O-])s1	ZINC000736249549	574356732	/nfs/dbraw/zinc/35/67/32/574356732.db2.gz	YYDYYVPIKQJPIA-UHFFFAOYSA-N	-1	0	294.376	2.848	20	30		CFEDRM
C[C@H](CCNc1cc(C#N)c2ccccc2n1)NC(=O)[O-]	ZINC000738904852	574357241	/nfs/dbraw/zinc/35/72/41/574357241.db2.gz	KQQLWOAJPZOMRW-SNVBAGLBSA-N	-1	0	284.319	2.565	20	30		CFEDRM
CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1ccccc1	ZINC000750895075	574360188	/nfs/dbraw/zinc/36/01/88/574360188.db2.gz	DNZLXYDSFMBATJ-OWMGPJMKSA-N	-1	0	296.322	2.861	20	30		CFEDRM
CC(C)=C(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000750940866	574364134	/nfs/dbraw/zinc/36/41/34/574364134.db2.gz	MGAWIPQSYBQDAS-NSHDSACASA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1cc(=O)[nH]c(NN=Cc2ccccc2C2CC2)n1	ZINC000751128104	574369633	/nfs/dbraw/zinc/36/96/33/574369633.db2.gz	WHJVIDCQAVOERH-UHFFFAOYSA-N	-1	0	268.320	2.814	20	30		CFEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)CCC	ZINC000739200410	574376146	/nfs/dbraw/zinc/37/61/46/574376146.db2.gz	HCHWBLPZZMTEJV-UHFFFAOYSA-N	-1	0	277.430	2.983	20	30		CFEDRM
CCC1(C)CCC(N=Nc2nnc(C)c(=O)[n-]2)CC1	ZINC000751521764	574378270	/nfs/dbraw/zinc/37/82/70/574378270.db2.gz	LSZGLWKCCBQIKN-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
Cn1c(Cl)cnc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000752884278	574396161	/nfs/dbraw/zinc/39/61/61/574396161.db2.gz	FBYLHUVMSFUJCG-NSCUHMNNSA-N	-1	0	296.735	2.729	20	30		CFEDRM
C#C[C@H](NS(=O)(=O)c1cc(C)c(Cl)s1)C(C)C	ZINC000304191701	617611674	/nfs/dbraw/zinc/61/16/74/617611674.db2.gz	VHHKHORWFKDEDC-VIFPVBQESA-N	-1	0	291.825	2.646	20	30		CFEDRM
CCCCCCCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000100018002	596932301	/nfs/dbraw/zinc/93/23/01/596932301.db2.gz	SAOQUTOBIGQNME-UHFFFAOYSA-N	-1	0	255.358	2.670	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/[C@H](CC(C)C)C(=O)[O-])c1	ZINC000818244774	597016212	/nfs/dbraw/zinc/01/62/12/597016212.db2.gz	LJJKUNHQOTWFBU-BPKVKKHESA-N	-1	0	279.336	2.709	20	30		CFEDRM
C#Cc1cccc(NC(=S)NCCCCCC(=O)[O-])c1	ZINC000817675356	597163906	/nfs/dbraw/zinc/16/39/06/597163906.db2.gz	REKVLMHMZOFWGM-UHFFFAOYSA-N	-1	0	290.388	2.599	20	30		CFEDRM
N#Cc1cnc2c(F)cc(F)cc2c1NCCCC(=O)[O-]	ZINC000819111477	597313760	/nfs/dbraw/zinc/31/37/60/597313760.db2.gz	VQDBDJJXELWNHP-UHFFFAOYSA-N	-1	0	291.257	2.661	20	30		CFEDRM
N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000819100204	597332620	/nfs/dbraw/zinc/33/26/20/597332620.db2.gz	BUSMWHIOVCAHPA-UHFFFAOYSA-N	-1	0	284.290	2.685	20	30		CFEDRM
CCc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1CC	ZINC000820479927	597609798	/nfs/dbraw/zinc/60/97/98/597609798.db2.gz	JYEFFHKFQCVTIX-MRXNPFEDSA-N	-1	0	288.347	2.754	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1c(F)cccc1Cl	ZINC000819874536	597625854	/nfs/dbraw/zinc/62/58/54/597625854.db2.gz	MFQBKOZHXVPHEO-ZDUSSCGKSA-N	-1	0	299.685	2.527	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCCC2(CCCCC2)C1	ZINC000819810924	597646249	/nfs/dbraw/zinc/64/62/49/597646249.db2.gz	HUPBLFIJZPTKQO-OAHLLOKOSA-N	-1	0	292.379	2.564	20	30		CFEDRM
CC1(C)C(=NNCCC(=O)[O-])C[C@H]1c1ccccc1	ZINC000820206196	597742208	/nfs/dbraw/zinc/74/22/08/597742208.db2.gz	SSSORLBFJJHILP-LBPRGKRZSA-N	-1	0	260.337	2.620	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2cnc3ccccc3c2)CC1	ZINC000814876867	598097098	/nfs/dbraw/zinc/09/70/98/598097098.db2.gz	KIHHDEKDLAUQQF-UHFFFAOYSA-N	-1	0	297.358	2.955	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cscn2)c1	ZINC000774135548	598201724	/nfs/dbraw/zinc/20/17/24/598201724.db2.gz	QVHRBENURGBPQM-SNAWJCMRSA-N	-1	0	259.286	2.737	20	30		CFEDRM
CCCCc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820317208	598221604	/nfs/dbraw/zinc/22/16/04/598221604.db2.gz	NPRXZWFUEBGVRE-MRXNPFEDSA-N	-1	0	288.347	2.972	20	30		CFEDRM
Cc1cc(Cl)ccc1OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820976465	598221949	/nfs/dbraw/zinc/22/19/49/598221949.db2.gz	HSHWECULUBYXBV-CYBMUJFWSA-N	-1	0	281.695	2.558	20	30		CFEDRM
CCCc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820325901	598222514	/nfs/dbraw/zinc/22/25/14/598222514.db2.gz	IYVCVADNCLUNPA-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CCCc1ccccc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820329906	598223869	/nfs/dbraw/zinc/22/38/69/598223869.db2.gz	CBDVULHYEYXTFU-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CCCc1ccccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820329907	598223960	/nfs/dbraw/zinc/22/39/60/598223960.db2.gz	CBDVULHYEYXTFU-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CC(C)c1cccc(N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820057530	598225242	/nfs/dbraw/zinc/22/52/42/598225242.db2.gz	KXLWHXBXWAKVFE-MRXNPFEDSA-N	-1	0	288.347	2.777	20	30		CFEDRM
CC(C)(C)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819811364	598227901	/nfs/dbraw/zinc/22/79/01/598227901.db2.gz	NHGIUBRRFRUOLP-BLLLJJGKSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CCOc1cc(C#N)ccc1OCc1cc(C(=O)[O-])co1	ZINC000051329509	599802889	/nfs/dbraw/zinc/80/28/89/599802889.db2.gz	AYBBMIWHAVNFNZ-UHFFFAOYSA-N	-1	0	287.271	2.827	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000111339027	599815206	/nfs/dbraw/zinc/81/52/06/599815206.db2.gz	DWYQFESBZLIJMR-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C#CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000238057702	599833420	/nfs/dbraw/zinc/83/34/20/599833420.db2.gz	WOYRWJHMWGFBQK-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
N#Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1F	ZINC000051638696	599843934	/nfs/dbraw/zinc/84/39/34/599843934.db2.gz	PWVMBDPLFMDZKW-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
C#Cc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1	ZINC000238072153	600036537	/nfs/dbraw/zinc/03/65/37/600036537.db2.gz	WATVTPYUOKKAGM-UHFFFAOYSA-N	-1	0	293.322	2.937	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000136011846	600276874	/nfs/dbraw/zinc/27/68/74/600276874.db2.gz	QHUCKRCDSRIBOF-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000706477234	600378600	/nfs/dbraw/zinc/37/86/00/600378600.db2.gz	GQTBSOPFWPTYRG-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000231957314	600403101	/nfs/dbraw/zinc/40/31/01/600403101.db2.gz	YPCMMWRUKKKLNA-UHFFFAOYSA-N	-1	0	298.339	2.565	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000059269352	600520576	/nfs/dbraw/zinc/52/05/76/600520576.db2.gz	PBJVSQNKLCGXRU-LBPRGKRZSA-N	-1	0	257.374	2.962	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC1	ZINC000167172260	600589025	/nfs/dbraw/zinc/58/90/25/600589025.db2.gz	NRBVNCMNKBIZCC-UHFFFAOYSA-N	-1	0	278.695	2.671	20	30		CFEDRM
CCCCCCCC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000059211609	600611143	/nfs/dbraw/zinc/61/11/43/600611143.db2.gz	QYHLGLLMVZHCQD-AWEZNQCLSA-N	-1	0	255.358	2.716	20	30		CFEDRM
C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000820136245	600790305	/nfs/dbraw/zinc/79/03/05/600790305.db2.gz	MGEKTYNYLYSXQL-LLVKDONJSA-N	-1	0	294.310	2.747	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Oc3ccccc3C2=O)o1	ZINC000833311877	600830213	/nfs/dbraw/zinc/83/02/13/600830213.db2.gz	FAHZATOLJYMPIL-GHXNOFRVSA-N	-1	0	256.213	2.594	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000161181908	601143754	/nfs/dbraw/zinc/14/37/54/601143754.db2.gz	YISGTEWBWRUOGG-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
Cc1ccc(N=Cc2cccc(O)c2O)cc1C(=O)[O-]	ZINC000832937582	601177639	/nfs/dbraw/zinc/17/76/39/601177639.db2.gz	AHPIDEVEMDFJKT-UHFFFAOYSA-N	-1	0	271.272	2.855	20	30		CFEDRM
N#CCN(CC(=O)[O-])Cc1ccccc1Oc1ccccc1	ZINC000833066784	601242302	/nfs/dbraw/zinc/24/23/02/601242302.db2.gz	JGFJIUYRDSHXBB-UHFFFAOYSA-N	-1	0	296.326	2.889	20	30		CFEDRM
C=CCCCC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000825671279	601274076	/nfs/dbraw/zinc/27/40/76/601274076.db2.gz	KDYOSPBNNDHJKM-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
O=C([O-])Nc1ccc(OC(=O)C#Cc2ccccc2)cc1	ZINC000833289842	601276850	/nfs/dbraw/zinc/27/68/50/601276850.db2.gz	MVYTTZJPSDRTQS-UHFFFAOYSA-N	-1	0	281.267	2.734	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1OC(=O)c1ccc(C#N)s1	ZINC000832918819	601277407	/nfs/dbraw/zinc/27/74/07/601277407.db2.gz	NINDUMUNLVIOOI-UHFFFAOYSA-N	-1	0	287.296	2.846	20	30		CFEDRM
Cc1cc(NC(=O)C#Cc2ccccc2)ccc1C(=O)[O-]	ZINC000044749886	601281362	/nfs/dbraw/zinc/28/13/62/601281362.db2.gz	IOUCWTJECMBXSY-UHFFFAOYSA-N	-1	0	279.295	2.683	20	30		CFEDRM
COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832408208	601297681	/nfs/dbraw/zinc/29/76/81/601297681.db2.gz	QWSUXKDAWAQVJD-HNNXBMFYSA-N	-1	0	282.299	2.805	20	30		CFEDRM
Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)s1	ZINC000832933708	601301522	/nfs/dbraw/zinc/30/15/22/601301522.db2.gz	ILMRIJXHPKAGDC-AWEZNQCLSA-N	-1	0	286.356	2.844	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccc(F)cc3C2=O)[nH]1	ZINC000833312135	601332782	/nfs/dbraw/zinc/33/27/82/601332782.db2.gz	KFIQWBWCIBNZBY-RMKNXTFCSA-N	-1	0	271.247	2.674	20	30		CFEDRM
Cc1ccc2c(c1C)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CO2	ZINC000832960205	601332861	/nfs/dbraw/zinc/33/28/61/601332861.db2.gz	MZYHBFWWYNLPEH-YRNVUSSQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
Cc1ccc(C)c(NN=Cc2ccc(C(=O)[O-])[nH]2)c1	ZINC000832926615	601336476	/nfs/dbraw/zinc/33/64/76/601336476.db2.gz	WJCGBQGJAMLPTP-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825671566	601355189	/nfs/dbraw/zinc/35/51/89/601355189.db2.gz	UNCRGRKKFJJXMY-CQSZACIVSA-N	-1	0	273.288	2.583	20	30		CFEDRM
CCCCC[C@H](/N=C/c1c(O)cccc1OC)C(=O)[O-]	ZINC000829311837	601365427	/nfs/dbraw/zinc/36/54/27/601365427.db2.gz	MPHLTYGCGWURCG-SEJMYLSOSA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCCCC[C@@H](/N=C\c1cc(OC)ccc1O)C(=O)[O-]	ZINC000829312168	601365537	/nfs/dbraw/zinc/36/55/37/601365537.db2.gz	SSQAJJXJQCDYRN-YDRQLGOLSA-N	-1	0	279.336	2.853	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3ccccc3C2=O)[nH]1	ZINC000833312755	601445130	/nfs/dbraw/zinc/44/51/30/601445130.db2.gz	WYLOCFXOQAPLMI-PKNBQFBNSA-N	-1	0	267.284	2.925	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)s1	ZINC000819096101	601468848	/nfs/dbraw/zinc/46/88/48/601468848.db2.gz	XNNJMXZLPOWOAO-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
C[C@@H]1CC/C(=C\C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000828207772	601568017	/nfs/dbraw/zinc/56/80/17/601568017.db2.gz	QSVYAFXKQOLGKF-XZIFPBMPSA-N	-1	0	299.326	2.974	20	30		CFEDRM
CCCCCCCC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000100136457	601626675	/nfs/dbraw/zinc/62/66/75/601626675.db2.gz	YSUHNCSEROGBAG-GFCCVEGCSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C=CCCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000825671107	601732705	/nfs/dbraw/zinc/73/27/05/601732705.db2.gz	CNCOEDJZXJZVCF-UHFFFAOYSA-N	-1	0	266.268	2.923	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cc(F)cc(F)c2)c[nH]1	ZINC000833092732	601763802	/nfs/dbraw/zinc/76/38/02/601763802.db2.gz	LWMZZIPGYLZNJU-UPHRSURJSA-N	-1	0	277.226	2.887	20	30		CFEDRM
COc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832514538	601791164	/nfs/dbraw/zinc/79/11/64/601791164.db2.gz	GCKAWXDFPUNSLT-WAYWQWQTSA-N	-1	0	271.272	2.618	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3ccccc3C2=O)c[nH]1	ZINC000833298253	601791447	/nfs/dbraw/zinc/79/14/47/601791447.db2.gz	QVJLIKGXARRHEA-VZUCSPMQSA-N	-1	0	253.257	2.535	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)s1	ZINC000832910703	601792122	/nfs/dbraw/zinc/79/21/22/601792122.db2.gz	BJHUGISZHROVHE-ONEGZZNKSA-N	-1	0	261.302	2.979	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/COc3ccc(F)cc3C2=O)c[nH]1	ZINC000833298074	601793506	/nfs/dbraw/zinc/79/35/06/601793506.db2.gz	MXHMIENIYPDOCO-OQFOIZHKSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc(Cl)c2F)c[nH]1	ZINC000814818674	601797133	/nfs/dbraw/zinc/79/71/33/601797133.db2.gz	DFRRUMVJZYPOTO-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
C#C[C@@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935675347	649929001	/nfs/dbraw/zinc/92/90/01/649929001.db2.gz	PPMKXTCKSMRTJE-SSDOTTSWSA-N	-1	0	272.131	2.793	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)s1	ZINC000833071717	602012817	/nfs/dbraw/zinc/01/28/17/602012817.db2.gz	KLWUIUANXQTFQO-UHFFFAOYSA-N	-1	0	293.325	2.736	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000156026277	602036840	/nfs/dbraw/zinc/03/68/40/602036840.db2.gz	FGUCPGYOTMSQMY-UHFFFAOYSA-N	-1	0	292.722	2.917	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C/C(=O)c2cccnc2)cc1)C(=O)[O-]	ZINC000827884692	602106096	/nfs/dbraw/zinc/10/60/96/602106096.db2.gz	YOJMSXVKLOTLPX-LZGFCCKTSA-N	-1	0	297.310	2.830	20	30		CFEDRM
C[C@H](CC(=O)[O-])C(=O)[C@H](C#N)c1nc2ccccc2s1	ZINC000827241304	602178581	/nfs/dbraw/zinc/17/85/81/602178581.db2.gz	VNWSSCOYCAVPOM-BDAKNGLRSA-N	-1	0	288.328	2.583	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)s1	ZINC000833071841	602181131	/nfs/dbraw/zinc/18/11/31/602181131.db2.gz	LSEFPNZIGLIJSO-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000229757365	602204543	/nfs/dbraw/zinc/20/45/43/602204543.db2.gz	BYKXZMUNAJXOAX-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
N#Cc1cc(COC(=O)c2cccc(C(=O)[O-])c2)ccc1F	ZINC000833068662	602266601	/nfs/dbraw/zinc/26/66/01/602266601.db2.gz	IGRUUZVDBFKGOU-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
C=CCC(CC=C)C(=O)OCc1occc1C(=O)[O-]	ZINC000825665119	602283659	/nfs/dbraw/zinc/28/36/59/602283659.db2.gz	VBWOBHJLCHKYGJ-UHFFFAOYSA-N	-1	0	264.277	2.789	20	30		CFEDRM
N#Cc1cccc(SCC(=O)c2cc(C(=O)[O-])co2)c1	ZINC000833076009	602290579	/nfs/dbraw/zinc/29/05/79/602290579.db2.gz	ZUPVEQAQCSMGMS-UHFFFAOYSA-N	-1	0	287.296	2.824	20	30		CFEDRM
Cc1ccc(C#N)cc1OCc1occc1C(=O)[O-]	ZINC000232309218	602306797	/nfs/dbraw/zinc/30/67/97/602306797.db2.gz	VFNDHRLAHRTYSB-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000235064460	602386879	/nfs/dbraw/zinc/38/68/79/602386879.db2.gz	IMUORMPKSDFVNC-QMMMGPOBSA-N	-1	0	266.272	2.610	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H]1CNC(=O)[O-]	ZINC000826820909	603129786	/nfs/dbraw/zinc/12/97/86/603129786.db2.gz	PENJIZWDYZSHHD-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@H]1CCCCN(C(=O)[O-])C1	ZINC000831118452	603190279	/nfs/dbraw/zinc/19/02/79/603190279.db2.gz	ZJQVCZDKBBCWSC-LBPRGKRZSA-N	-1	0	277.299	2.642	20	30		CFEDRM
C[C@H]1CN(c2c(Cl)cccc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000826075583	603192097	/nfs/dbraw/zinc/19/20/97/603192097.db2.gz	YZEAGPOJIPPPGV-CABZTGNLSA-N	-1	0	293.754	2.694	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000831109389	603200086	/nfs/dbraw/zinc/20/00/86/603200086.db2.gz	HUOYPSCDRQJFNC-MFKMUULPSA-N	-1	0	291.326	2.936	20	30		CFEDRM
Cc1ccc(C(=O)O[C@H](C)CC#N)cc1NC(=O)[O-]	ZINC000830238883	603448458	/nfs/dbraw/zinc/44/84/58/603448458.db2.gz	UTHULUFJOBULJK-SECBINFHSA-N	-1	0	262.265	2.544	20	30		CFEDRM
COc1cccc(NN=Cc2ccc(NC(=O)[O-])nc2)c1	ZINC000829571154	603484133	/nfs/dbraw/zinc/48/41/33/603484133.db2.gz	NVJODMCTGNWFLQ-UHFFFAOYSA-N	-1	0	286.291	2.626	20	30		CFEDRM
CCN(CC1CCN(c2ccc(C#N)cc2)CC1)C(=O)[O-]	ZINC000827105052	603525611	/nfs/dbraw/zinc/52/56/11/603525611.db2.gz	RASFCDBZJXTWLG-UHFFFAOYSA-N	-1	0	287.363	2.775	20	30		CFEDRM
N#CCSCc1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000831109487	603643097	/nfs/dbraw/zinc/64/30/97/603643097.db2.gz	KQLDAXLWBVOWQL-UHFFFAOYSA-N	-1	0	290.304	2.583	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900323285	620662114	/nfs/dbraw/zinc/66/21/14/620662114.db2.gz	ZIYIDCRDQGJQGU-GFCCVEGCSA-N	-1	0	296.754	2.966	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1	ZINC000900355348	620663916	/nfs/dbraw/zinc/66/39/16/620663916.db2.gz	LUILMTNMCXDXBY-ZDUSSCGKSA-N	-1	0	288.347	2.679	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823491371	603769319	/nfs/dbraw/zinc/76/93/19/603769319.db2.gz	VHQKRILRGZOGIZ-UWVGGRQHSA-N	-1	0	277.324	2.711	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823491372	603769392	/nfs/dbraw/zinc/76/93/92/603769392.db2.gz	VHQKRILRGZOGIZ-VHSXEESVSA-N	-1	0	277.324	2.711	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(OC)c1C)C(=O)[O-]	ZINC000900330985	620662825	/nfs/dbraw/zinc/66/28/25/620662825.db2.gz	ZFCULSVLAOVFBB-LBPRGKRZSA-N	-1	0	292.335	2.545	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000900354985	620663516	/nfs/dbraw/zinc/66/35/16/620663516.db2.gz	DUTNBHCDSWEWIW-CYBMUJFWSA-N	-1	0	274.320	2.801	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2ccc(F)cc2F)CC1	ZINC000831868896	603856372	/nfs/dbraw/zinc/85/63/72/603856372.db2.gz	FLZKGIQLACZDHM-UHFFFAOYSA-N	-1	0	283.278	2.753	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2cc(F)cc(F)c2)CC1	ZINC000831869129	603858863	/nfs/dbraw/zinc/85/88/63/603858863.db2.gz	JHSWPNAUAAPBRV-UHFFFAOYSA-N	-1	0	283.278	2.753	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000900376369	620666663	/nfs/dbraw/zinc/66/66/63/620666663.db2.gz	QPFBBLDTENITJC-CQSZACIVSA-N	-1	0	293.754	2.688	20	30		CFEDRM
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1NC(=O)[O-]	ZINC000830205611	603959070	/nfs/dbraw/zinc/95/90/70/603959070.db2.gz	PNAJUZZBHGPXNI-NWDGAFQWSA-N	-1	0	287.319	2.507	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823444557	604097365	/nfs/dbraw/zinc/09/73/65/604097365.db2.gz	MKTNMUUZYGGTRJ-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
C=CCc1ccccc1OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823521789	604215878	/nfs/dbraw/zinc/21/58/78/604215878.db2.gz	JDHDZVGQSDUQFN-CHWSQXEVSA-N	-1	0	289.331	2.757	20	30		CFEDRM
CN(c1ccc(F)cc1C#N)C1CCC(NC(=O)[O-])CC1	ZINC000828434482	604219304	/nfs/dbraw/zinc/21/93/04/604219304.db2.gz	CWAZTBJBIGWBMI-UHFFFAOYSA-N	-1	0	291.326	2.712	20	30		CFEDRM
C=CCCOC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823496926	604232385	/nfs/dbraw/zinc/23/23/85/604232385.db2.gz	SYTXRLDDCVRQLX-AAEUAGOBSA-N	-1	0	277.320	2.751	20	30		CFEDRM
C=CCCOC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823496927	604232603	/nfs/dbraw/zinc/23/26/03/604232603.db2.gz	SYTXRLDDCVRQLX-DGCLKSJQSA-N	-1	0	277.320	2.751	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccccc1OC	ZINC000042344272	620672484	/nfs/dbraw/zinc/67/24/84/620672484.db2.gz	SLPOXAROQCNZDD-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
C=CCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825664802	604380871	/nfs/dbraw/zinc/38/08/71/604380871.db2.gz	LXUCXNQNIIJSDM-CQSZACIVSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCCCC(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833373364	604494722	/nfs/dbraw/zinc/49/47/22/604494722.db2.gz	MJWQGXGJBJGFNT-UHFFFAOYSA-N	-1	0	254.326	2.919	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)OCC	ZINC000819706048	604553117	/nfs/dbraw/zinc/55/31/17/604553117.db2.gz	KRVNAIBPOKVHOW-ZDUSSCGKSA-N	-1	0	295.310	2.834	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(Nc2cccc(C#N)n2)cc1	ZINC000833685239	604558055	/nfs/dbraw/zinc/55/80/55/604558055.db2.gz	IMAKWZSPXUEGDN-UHFFFAOYSA-N	-1	0	268.276	2.811	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)OCC	ZINC000833367101	604563220	/nfs/dbraw/zinc/56/32/20/604563220.db2.gz	IPLSPZPIUUEUKY-ZDUSSCGKSA-N	-1	0	297.395	2.652	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000833537659	604571664	/nfs/dbraw/zinc/57/16/64/604571664.db2.gz	NIRLOSNTXVWXNR-CYBMUJFWSA-N	-1	0	290.363	2.663	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1)OCC	ZINC000833368381	604596952	/nfs/dbraw/zinc/59/69/52/604596952.db2.gz	GMAVBBRDIRWMOD-HIFRSBDPSA-N	-1	0	292.331	2.727	20	30		CFEDRM
C=CCNC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833376690	604599030	/nfs/dbraw/zinc/59/90/30/604599030.db2.gz	ORARIBHLJIVXFI-UHFFFAOYSA-N	-1	0	280.349	2.561	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1cccc(CC(=O)[O-])c1)OCC	ZINC000833368656	604611916	/nfs/dbraw/zinc/61/19/16/604611916.db2.gz	OWCXLKOPSVGWJL-AWEZNQCLSA-N	-1	0	292.331	2.590	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823501333	604637874	/nfs/dbraw/zinc/63/78/74/604637874.db2.gz	VHMYVDUQIFUBFG-ZDUSSCGKSA-N	-1	0	294.395	2.603	20	30		CFEDRM
CC(=NN=C(C)[C@@H](C)CCCCC(=O)[O-])c1cnccn1	ZINC000814861580	604640920	/nfs/dbraw/zinc/64/09/20/604640920.db2.gz	QUFQRJICEOBXOJ-NSHDSACASA-N	-1	0	290.367	2.943	20	30		CFEDRM
C[C@H]1Cc2ccccc2C1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372123	604669236	/nfs/dbraw/zinc/66/92/36/604669236.db2.gz	UEEZOVHYFWFBLN-JTQLQIEISA-N	-1	0	281.315	2.788	20	30		CFEDRM
C[C@H](CC(=O)[O-])C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000827349798	604691585	/nfs/dbraw/zinc/69/15/85/604691585.db2.gz	SRTSQALMJDFRQM-LLVKDONJSA-N	-1	0	289.331	2.642	20	30		CFEDRM
C=CCOc1ccccc1CNc1cccc(C(=O)[O-])n1	ZINC000833378182	604712699	/nfs/dbraw/zinc/71/26/99/604712699.db2.gz	AKNDCQPIPKOJTH-UHFFFAOYSA-N	-1	0	284.315	2.957	20	30		CFEDRM
C=C[C@@H](CC(=O)OC/C=C(\C)C(=O)[O-])c1ccccc1	ZINC000833371914	604729995	/nfs/dbraw/zinc/72/99/95/604729995.db2.gz	WVFDGAMMDNTYJJ-SRXBQZRASA-N	-1	0	274.316	2.920	20	30		CFEDRM
C=CCN(C(=O)CCc1ccccc1C(=O)[O-])C(C)C	ZINC000833375074	604739571	/nfs/dbraw/zinc/73/95/71/604739571.db2.gz	VDNRPLBCACNNNK-UHFFFAOYSA-N	-1	0	275.348	2.740	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ccc(C(=O)[O-])cc1F	ZINC000833497017	604760970	/nfs/dbraw/zinc/76/09/70/604760970.db2.gz	WRDXCTFZMGKOIP-UHFFFAOYSA-N	-1	0	264.300	2.648	20	30		CFEDRM
N#CCCCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000700767827	604795217	/nfs/dbraw/zinc/79/52/17/604795217.db2.gz	NIEWJJCKIKHREB-UHFFFAOYSA-N	-1	0	284.109	2.830	20	30		CFEDRM
Cc1ccc(C(=O)OC2(C#N)CCC2)cc1NC(=O)[O-]	ZINC000830236582	604844128	/nfs/dbraw/zinc/84/41/28/604844128.db2.gz	CBSBTKJDTYYQEV-UHFFFAOYSA-N	-1	0	274.276	2.688	20	30		CFEDRM
N#CC1(OC(=O)c2ccc(F)c(NC(=O)[O-])c2)CCC1	ZINC000831076484	604845441	/nfs/dbraw/zinc/84/54/41/604845441.db2.gz	NLDIXDJPBFWSRL-UHFFFAOYSA-N	-1	0	278.239	2.519	20	30		CFEDRM
C=CCN(c1nc(Cl)c(C(=O)[O-])s1)C1CC1	ZINC000131760993	604874931	/nfs/dbraw/zinc/87/49/31/604874931.db2.gz	ZTWLGKHPMWLFBL-UHFFFAOYSA-N	-1	0	258.730	2.650	20	30		CFEDRM
C=CCN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000162296288	604875151	/nfs/dbraw/zinc/87/51/51/604875151.db2.gz	QVGRRUMPDYBZHN-XBXARRHUSA-N	-1	0	288.303	2.847	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])OCC	ZINC000833366695	604955856	/nfs/dbraw/zinc/95/58/56/604955856.db2.gz	CIWHOATWAJJHMG-XEZPLFJOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833373371	604991560	/nfs/dbraw/zinc/99/15/60/604991560.db2.gz	MOTXACDRCPBBPP-MNOVXSKESA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000833373527	604991815	/nfs/dbraw/zinc/99/18/15/604991815.db2.gz	RNRUDFJVQQWGBT-QJPTWQEYSA-N	-1	0	254.326	2.775	20	30		CFEDRM
C=C(CC)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000232832666	605004502	/nfs/dbraw/zinc/00/45/02/605004502.db2.gz	HRWLONIGRJOTLO-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
C=C(CC)CNc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833371358	605005237	/nfs/dbraw/zinc/00/52/37/605005237.db2.gz	ZRSVTEDFHGQHQZ-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000833362825	605014027	/nfs/dbraw/zinc/01/40/27/605014027.db2.gz	MEVWZQYFHAPRAE-XJKSGUPXSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C#CCCCCC(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000833362695	605020645	/nfs/dbraw/zinc/02/06/45/605020645.db2.gz	FVRDGTCONGDQPE-UHFFFAOYSA-N	-1	0	260.289	2.792	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1cc(F)cc(F)c1	ZINC000833406003	605039734	/nfs/dbraw/zinc/03/97/34/605039734.db2.gz	JJAJPCHUVGKGPB-SECBINFHSA-N	-1	0	293.273	2.858	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1cccc(F)c1	ZINC000833405509	605039756	/nfs/dbraw/zinc/03/97/56/605039756.db2.gz	FETGEPDALHTWRI-JTQLQIEISA-N	-1	0	275.283	2.719	20	30		CFEDRM
N#CCCN(Cc1ccco1)Cc1ccccc1CC(=O)[O-]	ZINC000833760487	605073370	/nfs/dbraw/zinc/07/33/70/605073370.db2.gz	VQFPQGPQVQDMQE-UHFFFAOYSA-N	-1	0	298.342	2.823	20	30		CFEDRM
C=C[C@H](CC)OC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833370555	605085781	/nfs/dbraw/zinc/08/57/81/605085781.db2.gz	CZJPBBZSMGXSRS-CYBMUJFWSA-N	-1	0	262.305	2.825	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2c1OCCO2	ZINC000833783825	605101707	/nfs/dbraw/zinc/10/17/07/605101707.db2.gz	VISCKZCAJOEEGF-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CC(C)Oc1ccc(NCc2ccc(C(=O)[O-])[nH]2)cc1C#N	ZINC000833506891	605117075	/nfs/dbraw/zinc/11/70/75/605117075.db2.gz	UATUFEBJIIEXFG-UHFFFAOYSA-N	-1	0	299.330	2.984	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(C)(C)C#N	ZINC000833534499	605163537	/nfs/dbraw/zinc/16/35/37/605163537.db2.gz	CUCADILAYWCIHC-SECBINFHSA-N	-1	0	276.292	2.872	20	30		CFEDRM
C#CCCCOc1ccc(Br)cc1C(=O)[O-]	ZINC000236443082	605180672	/nfs/dbraw/zinc/18/06/72/605180672.db2.gz	WXDMNSYFPNFLJT-UHFFFAOYSA-N	-1	0	283.121	2.940	20	30		CFEDRM
CC(C)(C#N)CCN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000131278569	605188985	/nfs/dbraw/zinc/18/89/85/605188985.db2.gz	FYUHIKMKSATQCJ-UHFFFAOYSA-N	-1	0	258.321	2.640	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](COc2cc(Cl)ccc2C#N)O1	ZINC000833580233	605236842	/nfs/dbraw/zinc/23/68/42/605236842.db2.gz	QJCAQTOTIZWCSM-NSHDSACASA-N	-1	0	293.706	2.738	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)Cc2ccccc2C(=O)[O-])c1	ZINC000833368201	605244474	/nfs/dbraw/zinc/24/44/74/605244474.db2.gz	JDXIGYXVOMCDLF-UHFFFAOYSA-N	-1	0	293.322	2.572	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833515623	605280565	/nfs/dbraw/zinc/28/05/65/605280565.db2.gz	KIAATERMETWZPS-QMMMGPOBSA-N	-1	0	294.286	2.681	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cn1	ZINC000833368596	605304364	/nfs/dbraw/zinc/30/43/64/605304364.db2.gz	RLLMARBSALTKHW-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
N#Cc1ccc(N=NC2CCC[C@H]2NC(=O)[O-])cc1Cl	ZINC000833974436	605306713	/nfs/dbraw/zinc/30/67/13/605306713.db2.gz	IDSNTVUTTNXVHJ-LLVKDONJSA-N	-1	0	292.726	2.800	20	30		CFEDRM
N#CCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833760353	605379961	/nfs/dbraw/zinc/37/99/61/605379961.db2.gz	OGSWLPGCZIBUQC-UHFFFAOYSA-N	-1	0	283.671	2.662	20	30		CFEDRM
N#Cc1ccc(SC2CCN(C(=O)[O-])CC2)cc1	ZINC000833977763	605388642	/nfs/dbraw/zinc/38/86/42/605388642.db2.gz	XVAPLMYKBXZZGH-UHFFFAOYSA-N	-1	0	262.334	2.793	20	30		CFEDRM
Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)ccc1NC(=O)[O-]	ZINC000829934321	605431944	/nfs/dbraw/zinc/43/19/44/605431944.db2.gz	KBPVWDMCOGIWLJ-GFCCVEGCSA-N	-1	0	289.335	2.753	20	30		CFEDRM
O=C([O-])NCCCN=Nc1ccccc1C(F)(F)F	ZINC000832605342	605459446	/nfs/dbraw/zinc/45/94/46/605459446.db2.gz	RURYZEGPJMOPQL-UHFFFAOYSA-N	-1	0	275.230	2.761	20	30		CFEDRM
C#CCCCCCC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000833361750	605469349	/nfs/dbraw/zinc/46/93/49/605469349.db2.gz	JYSCNKSRHLWKGP-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(C#N)c(Cl)c1	ZINC000825843816	605481456	/nfs/dbraw/zinc/48/14/56/605481456.db2.gz	FRPVNXBTBWFDTR-ONGXEEELSA-N	-1	0	293.754	2.837	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(c2cc(Cl)ccc2C#N)C1	ZINC000833814354	605492530	/nfs/dbraw/zinc/49/25/30/605492530.db2.gz	AYGUSDMETBXCJM-KOLCDFICSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2C#N)C1	ZINC000833815185	605497578	/nfs/dbraw/zinc/49/75/78/605497578.db2.gz	FIULCBBSIVHSRX-UWVGGRQHSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000833819359	605499252	/nfs/dbraw/zinc/49/92/52/605499252.db2.gz	TYTSWSLFIYYUSK-MWLCHTKSSA-N	-1	0	293.754	2.694	20	30		CFEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])nc2)cc1	ZINC000831126471	605521197	/nfs/dbraw/zinc/52/11/97/605521197.db2.gz	GREFFRYZGXABFZ-UHFFFAOYSA-N	-1	0	268.276	2.655	20	30		CFEDRM
N#Cc1csc(CNc2ccc(NC(=O)[O-])nc2)c1	ZINC000831161718	605521199	/nfs/dbraw/zinc/52/11/99/605521199.db2.gz	JYIMVTUVYRTDKS-UHFFFAOYSA-N	-1	0	274.305	2.717	20	30		CFEDRM
CC(=NN[C@@H]1CCO[C@H](C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000814897304	605579772	/nfs/dbraw/zinc/57/97/72/605579772.db2.gz	OWPNHNGKHCMXDO-YRGRVCCFSA-N	-1	0	284.400	2.801	20	30		CFEDRM
C#CCOc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000833367199	605593132	/nfs/dbraw/zinc/59/31/32/605593132.db2.gz	SMVIGFJFLPQFBY-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
C#CCCCCCC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000833361676	605614046	/nfs/dbraw/zinc/61/40/46/605614046.db2.gz	HAMAVRJCAOZMDA-UHFFFAOYSA-N	-1	0	287.359	2.627	20	30		CFEDRM
CC[C@H](C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833639497	605672596	/nfs/dbraw/zinc/67/25/96/605672596.db2.gz	UYCQZNWKBFHLTC-MJVIPROJSA-N	-1	0	289.331	2.909	20	30		CFEDRM
Cc1ccc(C#N)cc1NC[C@H]1CCCN(C(=O)[O-])C1	ZINC000833902105	605719274	/nfs/dbraw/zinc/71/92/74/605719274.db2.gz	SPVWNJVMRDQTHG-CYBMUJFWSA-N	-1	0	273.336	2.669	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC1CCCC1	ZINC000834101917	605723996	/nfs/dbraw/zinc/72/39/96/605723996.db2.gz	BRQQICRIRHUKNS-GXTWGEPZSA-N	-1	0	279.384	2.817	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ccccc1Cl	ZINC000834169541	605857281	/nfs/dbraw/zinc/85/72/81/605857281.db2.gz	NJCFUIMOEPZPKO-JTQLQIEISA-N	-1	0	267.716	2.928	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cc(F)cc(F)c1	ZINC000834169444	605858513	/nfs/dbraw/zinc/85/85/13/605858513.db2.gz	MRNLJDZUOMNWEJ-JTQLQIEISA-N	-1	0	269.251	2.553	20	30		CFEDRM
N#CCC1CCN(C(=O)c2ccccc2NC(=O)[O-])CC1	ZINC000833968503	605932547	/nfs/dbraw/zinc/93/25/47/605932547.db2.gz	LIHVPFWMGBDSTE-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
O=C([O-])Nc1ncccc1C=NOCc1ccccc1	ZINC000834282805	605955914	/nfs/dbraw/zinc/95/59/14/605955914.db2.gz	GMVCCBCUBNPTJB-UHFFFAOYSA-N	-1	0	271.276	2.722	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ccccc2F)CC1	ZINC000834097155	605990786	/nfs/dbraw/zinc/99/07/86/605990786.db2.gz	RVJZVDWRWPNLOP-UHFFFAOYSA-N	-1	0	265.288	2.758	20	30		CFEDRM
O=C([O-])NC1(C/N=C/c2cc(Cl)ccc2O)CCC1	ZINC000834154016	606071689	/nfs/dbraw/zinc/07/16/89/606071689.db2.gz	HKUOERZLGDWXJA-VIZOYTHASA-N	-1	0	282.727	2.655	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1cc(F)cc(F)c1[O-]	ZINC000935991818	649970492	/nfs/dbraw/zinc/97/04/92/649970492.db2.gz	BAHACZUMMSAHLE-UHFFFAOYSA-N	-1	0	282.290	2.730	20	30		CFEDRM
Cc1nc(N[C@H]2CC[C@@H](CC#N)C2)sc1C(=O)[O-]	ZINC000900949560	620731351	/nfs/dbraw/zinc/73/13/51/620731351.db2.gz	FGKCBWRIDMLTDG-IUCAKERBSA-N	-1	0	265.338	2.644	20	30		CFEDRM
CC[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000900975671	620735618	/nfs/dbraw/zinc/73/56/18/620735618.db2.gz	CYJBEOMHUDNWCC-JTQLQIEISA-N	-1	0	275.352	2.773	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1	ZINC000049418085	617604063	/nfs/dbraw/zinc/60/40/63/617604063.db2.gz	HFWOFMAJKPFJDW-LLVKDONJSA-N	-1	0	269.366	2.875	20	30		CFEDRM
Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417632	617604268	/nfs/dbraw/zinc/60/42/68/617604268.db2.gz	OZQKFKDGFCFHIV-UHFFFAOYSA-N	-1	0	294.376	2.714	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c(C)s1	ZINC000049501828	617607156	/nfs/dbraw/zinc/60/71/56/617607156.db2.gz	NQRNYIPTZOJLPY-IMTBSYHQSA-N	-1	0	273.379	2.666	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000049515045	617608208	/nfs/dbraw/zinc/60/82/08/617608208.db2.gz	MXJCGMKGYPZGJM-QMMMGPOBSA-N	-1	0	290.772	2.567	20	30		CFEDRM
O=C([O-])c1cc(C=NNC2CCCC2)sc1Cl	ZINC000901183416	620758725	/nfs/dbraw/zinc/75/87/25/620758725.db2.gz	QMWOVUTXDTVMIF-UHFFFAOYSA-N	-1	0	272.757	2.966	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccco2)c1	ZINC000022769059	617833287	/nfs/dbraw/zinc/83/32/87/617833287.db2.gz	KQRATSAVDJINLZ-NTEUORMPSA-N	-1	0	260.249	2.555	20	30		CFEDRM
CC1(C)CC2(CC(N=Nc3ccc(C(=O)[O-])cn3)C2)CO1	ZINC000901204609	620764606	/nfs/dbraw/zinc/76/46/06/620764606.db2.gz	GFSCKBRBGMYJCU-UHFFFAOYSA-N	-1	0	289.335	2.527	20	30		CFEDRM
COC[C@@H](C)NN=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901209869	620765411	/nfs/dbraw/zinc/76/54/11/620765411.db2.gz	AVMOXUBXNTZOKA-SECBINFHSA-N	-1	0	292.360	2.558	20	30		CFEDRM
C=CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000804858419	618076094	/nfs/dbraw/zinc/07/60/94/618076094.db2.gz	WABMSOWDSRPJRN-UHFFFAOYSA-N	-1	0	275.135	2.684	20	30		CFEDRM
CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)C1(C)C	ZINC000049418000	618081403	/nfs/dbraw/zinc/08/14/03/618081403.db2.gz	BTPKTXLPEYQKDS-QWRGUYRKSA-N	-1	0	273.398	2.920	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NN1CCCC[C@@H]1C	ZINC000901261546	620777888	/nfs/dbraw/zinc/77/78/88/620777888.db2.gz	LGCJYYBXSSMYRM-NSHDSACASA-N	-1	0	276.336	2.602	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1C	ZINC000073837482	618121175	/nfs/dbraw/zinc/12/11/75/618121175.db2.gz	BDMUMBZYQMVKGY-UHFFFAOYSA-N	-1	0	269.366	2.818	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H](CC(C)C)OC	ZINC000841631657	618157632	/nfs/dbraw/zinc/15/76/32/618157632.db2.gz	KHAMDKSGRAVVDB-GFCCVEGCSA-N	-1	0	294.351	2.852	20	30		CFEDRM
C[C@@H]1CC(NN=Cc2cc(F)c([O-])c(F)c2)C[C@@H](C)O1	ZINC000901311706	620782984	/nfs/dbraw/zinc/78/29/84/620782984.db2.gz	VXLCKMFFDGGOJQ-RKDXNWHRSA-N	-1	0	284.306	2.550	20	30		CFEDRM
Cc1ccc(C=NNC2C[C@H](C)O[C@@H](C)C2)cc1C(=O)[O-]	ZINC000901298198	620785400	/nfs/dbraw/zinc/78/54/00/620785400.db2.gz	BOQRLIUVHQDEKR-RYUDHWBXSA-N	-1	0	290.363	2.573	20	30		CFEDRM
COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(OC)c1	ZINC000176813999	618204934	/nfs/dbraw/zinc/20/49/34/618204934.db2.gz	KCJSOMYTZBDZEX-UHFFFAOYSA-N	-1	0	298.298	2.533	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2F)c1	ZINC000176828312	618207579	/nfs/dbraw/zinc/20/75/79/618207579.db2.gz	UHFIFTGUFHOZOX-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000049178125	618252430	/nfs/dbraw/zinc/25/24/30/618252430.db2.gz	CVSLRTXWKYMCAX-GFCCVEGCSA-N	-1	0	299.392	2.678	20	30		CFEDRM
CC(C)N(CCC#N)Cc1cc(F)cc(F)c1[O-]	ZINC000893959642	618253246	/nfs/dbraw/zinc/25/32/46/618253246.db2.gz	NEKZYMFHYLNJMV-UHFFFAOYSA-N	-1	0	254.280	2.794	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1	ZINC000179414960	618273296	/nfs/dbraw/zinc/27/32/96/618273296.db2.gz	QYRYDWROFLBYOV-VXGBXAGGSA-N	-1	0	287.363	2.528	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1	ZINC000255754660	618275964	/nfs/dbraw/zinc/27/59/64/618275964.db2.gz	JUJUPANVDYTCQM-XQRVVYSFSA-N	-1	0	270.244	2.592	20	30		CFEDRM
COC(C)(C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000255845450	618337759	/nfs/dbraw/zinc/33/77/59/618337759.db2.gz	MVXHHFABVKUQSA-NSIKDUERSA-N	-1	0	286.715	2.798	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(C(C)C)c1	ZINC000092466400	618345701	/nfs/dbraw/zinc/34/57/01/618345701.db2.gz	PBYXEDUATQXQPN-UHFFFAOYSA-N	-1	0	276.336	2.915	20	30		CFEDRM
Cc1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c(C(C)C)n1	ZINC000179742907	618346329	/nfs/dbraw/zinc/34/63/29/618346329.db2.gz	YKOCWKWMYPHEKF-UHFFFAOYSA-N	-1	0	296.330	2.738	20	30		CFEDRM
CCn1ncc(C(=O)C(C#N)c2ccccn2)c1C1CC1	ZINC000892483652	618362291	/nfs/dbraw/zinc/36/22/91/618362291.db2.gz	SOSMJBYYUMXUGG-GFCCVEGCSA-N	-1	0	280.331	2.665	20	30		CFEDRM
C=C1CCC(C(=O)NCCc2cccc(C(=O)[O-])c2)CC1	ZINC000909463329	618365836	/nfs/dbraw/zinc/36/58/36/618365836.db2.gz	ONTOXUOGTMUAJV-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000255867125	618390951	/nfs/dbraw/zinc/39/09/51/618390951.db2.gz	QLOGGABHKILJQS-WAYWQWQTSA-N	-1	0	259.261	2.599	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000909493782	618420451	/nfs/dbraw/zinc/42/04/51/618420451.db2.gz	GZKTWIGOBYVMQB-HNNXBMFYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@H]1CCCC[C@@H]1CC	ZINC000856033437	618424088	/nfs/dbraw/zinc/42/40/88/618424088.db2.gz	GJGWXUSNLBIYDE-STQMWFEESA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C1CCC(C(=O)N2CCCC[C@@H]2CC(=O)[O-])CC1	ZINC000909498952	618429954	/nfs/dbraw/zinc/42/99/54/618429954.db2.gz	KGJCMGPPXJIVSH-CYBMUJFWSA-N	-1	0	265.353	2.589	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c(C)c1	ZINC000046929990	618458190	/nfs/dbraw/zinc/45/81/90/618458190.db2.gz	COQKZJXXSVBYPV-MWLCHTKSSA-N	-1	0	267.350	2.605	20	30		CFEDRM
Cc1ccc(N=NCc2cccc(O[C@H](C)C(=O)[O-])c2)nc1	ZINC000727259327	618475806	/nfs/dbraw/zinc/47/58/06/618475806.db2.gz	CQEOOODCRAFQDR-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000311584353	618716540	/nfs/dbraw/zinc/71/65/40/618716540.db2.gz	XZLVOUMCVAXHNA-CHWSQXEVSA-N	-1	0	267.369	2.740	20	30		CFEDRM
O=C(/C=C/c1cncnc1)c1ccc([O-])c(Cl)c1	ZINC000119262457	618800448	/nfs/dbraw/zinc/80/04/48/618800448.db2.gz	PFJXJWFTYGKAJF-HNQUOIGGSA-N	-1	0	260.680	2.732	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000893024957	618806357	/nfs/dbraw/zinc/80/63/57/618806357.db2.gz	FGQKFTQBKVZHPL-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
N#Cc1sc(N2CCC[C@@H](CCC(=O)[O-])C2)nc1Cl	ZINC000312004210	618852884	/nfs/dbraw/zinc/85/28/84/618852884.db2.gz	SCWFVQPMNMXNMB-QMMMGPOBSA-N	-1	0	299.783	2.749	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CCCCC)C(=O)[O-]	ZINC000909346223	618972735	/nfs/dbraw/zinc/97/27/35/618972735.db2.gz	JGVIYCGXNCIGJE-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NC(CC)(CC)CC(=O)[O-])OCC	ZINC000909375328	619023714	/nfs/dbraw/zinc/02/37/14/619023714.db2.gz	MAXQMGXHHOUEQD-LBPRGKRZSA-N	-1	0	285.384	2.507	20	30		CFEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccco1	ZINC000077882498	619125633	/nfs/dbraw/zinc/12/56/33/619125633.db2.gz	QTCHSHKGZDAWCA-JTQLQIEISA-N	-1	0	279.317	2.675	20	30		CFEDRM
C=CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000162860318	619153085	/nfs/dbraw/zinc/15/30/85/619153085.db2.gz	IIXGLLBJDLEBQX-QMMMGPOBSA-N	-1	0	250.254	2.670	20	30		CFEDRM
Cc1nnc(N=NC(C)[C@H](C)C2CCCCC2)[n-]c1=O	ZINC000747628998	619257551	/nfs/dbraw/zinc/25/75/51/619257551.db2.gz	YCVZBYCJEWBJGW-VIFPVBQESA-N	-1	0	277.372	2.890	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)o1	ZINC000048499607	619344920	/nfs/dbraw/zinc/34/49/20/619344920.db2.gz	BXJAPHGZSJMUHI-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048518099	619348485	/nfs/dbraw/zinc/34/84/85/619348485.db2.gz	BMJDSXNHBASIID-UHFFFAOYSA-N	-1	0	255.339	2.830	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)o1	ZINC000048518124	619348516	/nfs/dbraw/zinc/34/85/16/619348516.db2.gz	NWRZRTOJVMUYQC-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518312	619348527	/nfs/dbraw/zinc/34/85/27/619348527.db2.gz	IDEGCIJRYOZQLN-KTKRTIGZSA-N	-1	0	253.323	2.744	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1	ZINC000048518785	619348794	/nfs/dbraw/zinc/34/87/94/619348794.db2.gz	AASFGWPIOGGZDP-MFKMUULPSA-N	-1	0	281.377	2.940	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1cccc(F)c1	ZINC000048519111	619349320	/nfs/dbraw/zinc/34/93/20/619349320.db2.gz	CXLPZBBWAQULLN-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519723	619350277	/nfs/dbraw/zinc/35/02/77/619350277.db2.gz	KPZPWBKZOIBZEQ-SNVBAGLBSA-N	-1	0	281.377	2.867	20	30		CFEDRM
CC[C@@H](NN=Cc1c(Cl)oc2ccccc21)C(=O)[O-]	ZINC000793070894	619506745	/nfs/dbraw/zinc/50/67/45/619506745.db2.gz	AQHGNIYZOUFZFZ-SNVBAGLBSA-N	-1	0	280.711	2.873	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(OCC(=O)[O-])c1)C(C)(C)C	ZINC000793112208	619508786	/nfs/dbraw/zinc/50/87/86/619508786.db2.gz	RHRQQMMPPSTORU-LLVKDONJSA-N	-1	0	278.352	2.508	20	30		CFEDRM
C=CCC[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCC	ZINC000894917022	619512434	/nfs/dbraw/zinc/51/24/34/619512434.db2.gz	MRLUKEAMBGNLSG-ZDUSSCGKSA-N	-1	0	299.317	2.658	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000909421349	619535787	/nfs/dbraw/zinc/53/57/87/619535787.db2.gz	KYLPOEJKNDJKGB-LLVKDONJSA-N	-1	0	291.372	2.511	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])CC1	ZINC000909529669	619630340	/nfs/dbraw/zinc/63/03/40/619630340.db2.gz	PFEDHXQUEHMCCO-CJNGLKHVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
N#CC[C@@H](NCc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000896697329	619793362	/nfs/dbraw/zinc/79/33/62/619793362.db2.gz	QUGXVHMCQKWODF-MRVPVSSYSA-N	-1	0	280.196	2.605	20	30		CFEDRM
CC1(C)COC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708322	619877020	/nfs/dbraw/zinc/87/70/20/619877020.db2.gz	FQTVRGVOBYHGPR-QZSDQICDSA-N	-1	0	298.726	2.798	20	30		CFEDRM
CC1(C)OCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708556	619880493	/nfs/dbraw/zinc/88/04/93/619880493.db2.gz	YCEWPKWXKIFWNP-BXRZMRDGSA-N	-1	0	298.726	2.940	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCOCC2CCCC2)c1	ZINC000840711018	619921179	/nfs/dbraw/zinc/92/11/79/619921179.db2.gz	UHGNRBQDIBPEDP-YBEGLDIGSA-N	-1	0	292.335	2.926	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CS1	ZINC000840712345	619930777	/nfs/dbraw/zinc/93/07/77/619930777.db2.gz	XWSMMIRMLDVKFG-SBWQAPBASA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000909582910	619965737	/nfs/dbraw/zinc/96/57/37/619965737.db2.gz	XIJQNSWQGJPWAE-GFCCVEGCSA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000909656186	620038197	/nfs/dbraw/zinc/03/81/97/620038197.db2.gz	PHONGQRVBKCYNY-BZPMIXESSA-N	-1	0	275.348	2.572	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC000262861173	620082118	/nfs/dbraw/zinc/08/21/18/620082118.db2.gz	ISBLVUWPPQTERM-SNVBAGLBSA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=CCC[C@H](NC(=O)N(C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000929041652	620196431	/nfs/dbraw/zinc/19/64/31/620196431.db2.gz	AABUXMRBVJXYNE-JSGCOSHPSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000864183525	620205323	/nfs/dbraw/zinc/20/53/23/620205323.db2.gz	GQJZIFZBOJIOCC-MIMYLULJSA-N	-1	0	273.760	2.525	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)cc1	ZINC000193368905	620266887	/nfs/dbraw/zinc/26/68/87/620266887.db2.gz	FDRKUZNTNLEKSK-OAHLLOKOSA-N	-1	0	286.375	2.878	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1	ZINC000898095970	620337911	/nfs/dbraw/zinc/33/79/11/620337911.db2.gz	KCYYMVOCOZKQEA-UHFFFAOYSA-N	-1	0	293.367	2.906	20	30		CFEDRM
C[C@H]1CC2(CC(/N=C\c3cc([N+](=O)[O-])ccc3[O-])C2)CO1	ZINC000899231610	620533859	/nfs/dbraw/zinc/53/38/59/620533859.db2.gz	SLTZMKSUXNNQEH-KURPAKFWSA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])C1CCCC1	ZINC000899298022	620542888	/nfs/dbraw/zinc/54/28/88/620542888.db2.gz	NNHBICHIYLBBSN-WCQYABFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1cc(F)ccc1[O-])CCC2	ZINC000899361651	620552687	/nfs/dbraw/zinc/55/26/87/620552687.db2.gz	AKWCPJKEHBXGLM-VURMDHGXSA-N	-1	0	286.306	2.650	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cn(C)nc2C2CC2)c([O-])c1	ZINC000899361917	620553278	/nfs/dbraw/zinc/55/32/78/620553278.db2.gz	FOIIJTRPCGDRNV-YVMONPNESA-N	-1	0	298.342	2.908	20	30		CFEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C2CC2)n1	ZINC000899365957	620554919	/nfs/dbraw/zinc/55/49/19/620554919.db2.gz	FXXPEZSFXVUDNN-PLNGDYQASA-N	-1	0	274.345	2.961	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000042273347	620597634	/nfs/dbraw/zinc/59/76/34/620597634.db2.gz	MLEUPIRJMFVMAT-UHFFFAOYSA-N	-1	0	281.333	2.501	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@]2(C(=O)[O-])C(C)C)c1	ZINC000899787717	620599852	/nfs/dbraw/zinc/59/98/52/620599852.db2.gz	AIRXTSWWDZXLRS-BBRMVZONSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=C(C)CCNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899790670	620600103	/nfs/dbraw/zinc/60/01/03/620600103.db2.gz	ZYAYSJLNKDRRNG-CQSZACIVSA-N	-1	0	275.348	2.636	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000899827238	620604919	/nfs/dbraw/zinc/60/49/19/620604919.db2.gz	IVXZKINNXBWLED-STQMWFEESA-N	-1	0	267.369	2.548	20	30		CFEDRM
C#Cc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])c(Cl)c1	ZINC000899842827	620605788	/nfs/dbraw/zinc/60/57/88/620605788.db2.gz	LHGMQLGQSSHGCC-VIFPVBQESA-N	-1	0	279.723	2.761	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c1	ZINC000899853938	620606690	/nfs/dbraw/zinc/60/66/90/620606690.db2.gz	BXUTZNVLHQDNDU-INIZCTEOSA-N	-1	0	289.331	2.540	20	30		CFEDRM
Cc1nc(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)[nH]c1C	ZINC000901514733	620853119	/nfs/dbraw/zinc/85/31/19/620853119.db2.gz	IUEOVWANRLSWNA-UITAMQMPSA-N	-1	0	286.287	2.530	20	30		CFEDRM
C=CCCC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000902023366	620953441	/nfs/dbraw/zinc/95/34/41/620953441.db2.gz	VXUHZTNEFUZUOZ-UKRRQHHQSA-N	-1	0	289.375	2.963	20	30		CFEDRM
N#CCCN(Cc1ccc(C(=O)[O-])s1)CC1CC1	ZINC000903672976	621416331	/nfs/dbraw/zinc/41/63/31/621416331.db2.gz	VJIFFWVGVPSIGK-UHFFFAOYSA-N	-1	0	264.350	2.572	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@]1(C#N)CC12CCCC2	ZINC000832732250	625500312	/nfs/dbraw/zinc/50/03/12/625500312.db2.gz	CGOMUULOLHZUSX-SMDDNHRTSA-N	-1	0	250.342	2.554	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cccc(F)c1)C(=O)[O-]	ZINC000905015138	621681666	/nfs/dbraw/zinc/68/16/66/621681666.db2.gz	FCLOMRFSMUNINF-GFCCVEGCSA-N	-1	0	280.299	2.757	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(F)cc1F)C(=O)[O-]	ZINC000905015812	621681961	/nfs/dbraw/zinc/68/19/61/621681961.db2.gz	OTDNQWNBXJZZEP-LBPRGKRZSA-N	-1	0	298.289	2.896	20	30		CFEDRM
CC(=NNC[C@H](C)C#N)c1ccc(O)cc1Cl	ZINC000905455754	621776175	/nfs/dbraw/zinc/77/61/75/621776175.db2.gz	LKGKCQOJAVAFDL-MRVPVSSYSA-N	-1	0	251.717	2.519	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NOCCC(F)(F)F	ZINC000905462677	621779263	/nfs/dbraw/zinc/77/92/63/621779263.db2.gz	SEOUSCTUXMZAIT-UHFFFAOYSA-N	-1	0	296.632	2.736	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000905470161	621781419	/nfs/dbraw/zinc/78/14/19/621781419.db2.gz	OIDWKADSMVMMAB-ZETCQYMHSA-N	-1	0	294.298	2.944	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000905507966	621783699	/nfs/dbraw/zinc/78/36/99/621783699.db2.gz	AMBNEINRENLKBJ-GXTWGEPZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
CCCS(=O)(=O)[N-]c1sc2c(c1C#N)CCCC2	ZINC000906072678	621928406	/nfs/dbraw/zinc/92/84/06/621928406.db2.gz	NZFWVLFJFMZXJR-UHFFFAOYSA-N	-1	0	284.406	2.650	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1	ZINC000907145169	622087990	/nfs/dbraw/zinc/08/79/90/622087990.db2.gz	NRZDEDADJDCFGW-YUNLISADSA-N	-1	0	295.342	2.922	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C3CC3)CCC2)c1	ZINC000907144408	622090535	/nfs/dbraw/zinc/09/05/35/622090535.db2.gz	IOLCYAVVHLMLCF-UHFFFAOYSA-N	-1	0	256.305	2.783	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000907550305	622136118	/nfs/dbraw/zinc/13/61/18/622136118.db2.gz	LUXFOQPIPLVCMZ-LLVKDONJSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000907608064	622138637	/nfs/dbraw/zinc/13/86/37/622138637.db2.gz	CXJPZLYKQVLWBT-QMTHXVAHSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000907580885	622139476	/nfs/dbraw/zinc/13/94/76/622139476.db2.gz	AKIJJEINQNVDDZ-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000907596327	622141425	/nfs/dbraw/zinc/14/14/25/622141425.db2.gz	APPQQKVPOXFTJB-OCCSQVGLSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCCC1	ZINC000907604121	622142230	/nfs/dbraw/zinc/14/22/30/622142230.db2.gz	OILJUEYDNCFGIN-OAHLLOKOSA-N	-1	0	283.343	2.538	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000907625807	622143301	/nfs/dbraw/zinc/14/33/01/622143301.db2.gz	APBMCIHSDFGJBK-OLZOCXBDSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000907635144	622144648	/nfs/dbraw/zinc/14/46/48/622144648.db2.gz	LQGBDPBLONGNGU-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000907615664	622146409	/nfs/dbraw/zinc/14/64/09/622146409.db2.gz	LWMLCYAXVOJICP-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000907669220	622149627	/nfs/dbraw/zinc/14/96/27/622149627.db2.gz	AXMHVOHBSKFVBK-IAQYHMDHSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000907729774	622157784	/nfs/dbraw/zinc/15/77/84/622157784.db2.gz	WPXHMWJENFHTPF-SWLSCSKDSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000907732377	622157824	/nfs/dbraw/zinc/15/78/24/622157824.db2.gz	QIJPDANPCNNRJH-GXTWGEPZSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000907732380	622157850	/nfs/dbraw/zinc/15/78/50/622157850.db2.gz	QIJPDANPCNNRJH-TZMCWYRMSA-N	-1	0	281.396	2.986	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907897960	622170976	/nfs/dbraw/zinc/17/09/76/622170976.db2.gz	UBPQJKLCTBFNLP-CYBMUJFWSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3c2cccc3C(=O)[O-])C1	ZINC000907984845	622182352	/nfs/dbraw/zinc/18/23/52/622182352.db2.gz	XHTKNOVZLYKMDI-UHFFFAOYSA-N	-1	0	271.316	2.630	20	30		CFEDRM
C=CCCCN(CC)C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000908218146	622205647	/nfs/dbraw/zinc/20/56/47/622205647.db2.gz	ARWRXYHNMKXVHP-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908237402	622206891	/nfs/dbraw/zinc/20/68/91/622206891.db2.gz	OCAHOOQSTNJEEP-ZFWWWQNUSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1	ZINC000908376301	622223077	/nfs/dbraw/zinc/22/30/77/622223077.db2.gz	SVNBRUIMVLLJMD-YPMHNXCESA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ncc(CCC)s1)C(=O)[O-]	ZINC000908670647	622258721	/nfs/dbraw/zinc/25/87/21/622258721.db2.gz	RBUDESOHUVBVDX-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=C1CCC(C(=O)N(CCC(=O)[O-])CC(C)C)CC1	ZINC000908853090	622281919	/nfs/dbraw/zinc/28/19/19/622281919.db2.gz	CHIOFJRPWFJFAP-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000909001272	622297331	/nfs/dbraw/zinc/29/73/31/622297331.db2.gz	HLVSKBCEGRLFID-AWEZNQCLSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=CCC1(CNC(=O)N(CC(=O)[O-])C(C)C)CCCC1	ZINC000909024316	622302258	/nfs/dbraw/zinc/30/22/58/622302258.db2.gz	DNXTVFUZOMMSRS-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909178826	622322734	/nfs/dbraw/zinc/32/27/34/622322734.db2.gz	DCNZQPDLKDPOND-YOEHRIQHSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C#CCCCC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000909229019	622329543	/nfs/dbraw/zinc/32/95/43/622329543.db2.gz	FRISAZWORUITPD-UHFFFAOYSA-N	-1	0	291.372	2.746	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295279	622336561	/nfs/dbraw/zinc/33/65/61/622336561.db2.gz	DPIYICDSOVSJIH-HNNXBMFYSA-N	-1	0	295.310	2.691	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909700946	622342653	/nfs/dbraw/zinc/34/26/53/622342653.db2.gz	QHONSQSIBMIEBA-HNNXBMFYSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000909714699	622344271	/nfs/dbraw/zinc/34/42/71/622344271.db2.gz	ZQFNRNKXZJINIB-GFCCVEGCSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=C1CCC(C(=O)NCc2ccc(C(=O)[O-])s2)CC1	ZINC000909851184	622357629	/nfs/dbraw/zinc/35/76/29/622357629.db2.gz	NNQUYGFHTQNNJA-UHFFFAOYSA-N	-1	0	279.361	2.809	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000909952091	622375851	/nfs/dbraw/zinc/37/58/51/622375851.db2.gz	DUUQROJBULWAHU-LLVKDONJSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000909956314	622376390	/nfs/dbraw/zinc/37/63/90/622376390.db2.gz	VCDCHDBYQNSTBT-ABAIWWIYSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CCC1(C(=O)NCc2ccoc2C(=O)[O-])CCCCC1	ZINC000909962398	622377054	/nfs/dbraw/zinc/37/70/54/622377054.db2.gz	NPNCVQFZXCAWSV-UHFFFAOYSA-N	-1	0	289.331	2.568	20	30		CFEDRM
C#CCC1(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])CCCCC1	ZINC000909996340	622384266	/nfs/dbraw/zinc/38/42/66/622384266.db2.gz	QEEUFQDTKSCXDD-XJKSGUPXSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H](CC)CCCCCC)C(=O)[O-]	ZINC000910045768	622396357	/nfs/dbraw/zinc/39/63/57/622396357.db2.gz	GTGVCHKQFYYDLE-QWHCGFSZSA-N	-1	0	267.369	2.576	20	30		CFEDRM
C=CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000910244218	622417947	/nfs/dbraw/zinc/41/79/47/622417947.db2.gz	DGOPYSIELHHWQT-ZDUSSCGKSA-N	-1	0	261.321	2.562	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000910251804	622419629	/nfs/dbraw/zinc/41/96/29/622419629.db2.gz	YIIAPALKCKWUCJ-KBPBESRZSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC(C)(C)CC)C(=O)[O-]	ZINC000910265614	622421536	/nfs/dbraw/zinc/42/15/36/622421536.db2.gz	IHPJGJATGFZFIX-SECBINFHSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C/C(=C/C)CC)C(=O)[O-]	ZINC000910267016	622421661	/nfs/dbraw/zinc/42/16/61/622421661.db2.gz	QCVOFTQXTGBJCQ-PHJBVOGFSA-N	-1	0	271.744	2.611	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000910302486	622428140	/nfs/dbraw/zinc/42/81/40/622428140.db2.gz	IHBUGUZJJSYJDB-UHFFFAOYSA-N	-1	0	293.367	2.515	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910303880	622428146	/nfs/dbraw/zinc/42/81/46/622428146.db2.gz	VPMNCHXMEPQQIM-UHFFFAOYSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000910292468	622429911	/nfs/dbraw/zinc/42/99/11/622429911.db2.gz	PMGILEZJEDRWOE-IEHMKBBKSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910291393	622429921	/nfs/dbraw/zinc/42/99/21/622429921.db2.gz	HUPQEDIHSIODFK-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1sccc1C)C(=O)[O-]	ZINC000910291204	622430067	/nfs/dbraw/zinc/43/00/67/622430067.db2.gz	GPUUJJYOCNUXPW-GFCCVEGCSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C#C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])C1	ZINC000910354645	622438054	/nfs/dbraw/zinc/43/80/54/622438054.db2.gz	BPRLTBWMIXQYNS-VIFPVBQESA-N	-1	0	298.264	2.648	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910646117	622463913	/nfs/dbraw/zinc/46/39/13/622463913.db2.gz	MJFXONYHANQPLK-UHFFFAOYSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(CC)CC)C(=O)[O-]	ZINC000910915782	622486702	/nfs/dbraw/zinc/48/67/02/622486702.db2.gz	ATIQMENTHUIETA-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910912915	622485515	/nfs/dbraw/zinc/48/55/15/622485515.db2.gz	QGDSCFKGGMBLOB-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910912020	622485634	/nfs/dbraw/zinc/48/56/34/622485634.db2.gz	WVDZDDKWBFFQIV-CYBMUJFWSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)[O-]	ZINC000910914510	622486251	/nfs/dbraw/zinc/48/62/51/622486251.db2.gz	ICFMKNCXHLDRCR-CYBMUJFWSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(F)c(C)cc1F)C(=O)[O-]	ZINC000910913256	622486372	/nfs/dbraw/zinc/48/63/72/622486372.db2.gz	UHOPSZMPONEEBI-CYBMUJFWSA-N	-1	0	297.301	2.813	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](CC)OC1CCCC1)C(=O)[O-]	ZINC000910914662	622486400	/nfs/dbraw/zinc/48/64/00/622486400.db2.gz	MJPLPAGDVVHPBO-KBPBESRZSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1scnc1C(C)C)C(=O)[O-]	ZINC000910915749	622486634	/nfs/dbraw/zinc/48/66/34/622486634.db2.gz	AICYBXWRMJGESB-SNVBAGLBSA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C=C(C1CC1)C1CC1)C(=O)[O-]	ZINC000910915384	622486663	/nfs/dbraw/zinc/48/66/63/622486663.db2.gz	YQCRNCPPVMDYAQ-CQSZACIVSA-N	-1	0	277.364	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1sc(C)cc1OC)C(=O)[O-]	ZINC000910915378	622486809	/nfs/dbraw/zinc/48/68/09/622486809.db2.gz	YJTLSVIPHZUCES-SNVBAGLBSA-N	-1	0	297.376	2.604	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000910916229	622486817	/nfs/dbraw/zinc/48/68/17/622486817.db2.gz	UITXKXPHKSZKHS-NSHDSACASA-N	-1	0	283.274	2.504	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000910918952	622487378	/nfs/dbraw/zinc/48/73/78/622487378.db2.gz	RDXGAJOHOAHGDS-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)[O-]	ZINC000910921733	622487751	/nfs/dbraw/zinc/48/77/51/622487751.db2.gz	DZKIOEMYAJNDCU-XQQFMLRXSA-N	-1	0	293.388	2.777	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc(OC)c1C)C(=O)[O-]	ZINC000910922894	622487867	/nfs/dbraw/zinc/48/78/67/622487867.db2.gz	OJWSXZCAHGRHBI-ZDUSSCGKSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=C1CCC(CNC(=O)c2cc(C(=O)[O-])cnc2C)CC1	ZINC000910989632	622496082	/nfs/dbraw/zinc/49/60/82/622496082.db2.gz	BQGOSGNPUHGMJT-UHFFFAOYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
Cc1cscc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000175103547	622506353	/nfs/dbraw/zinc/50/63/53/622506353.db2.gz	KSXWEPQWMBAJFA-GFCCVEGCSA-N	-1	0	290.388	2.828	20	30		CFEDRM
C#CCOc1ccccc1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000911418827	622519549	/nfs/dbraw/zinc/51/95/49/622519549.db2.gz	VGSFZMLBVBJIGA-UHFFFAOYSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C=C(C)CCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000911409493	622520456	/nfs/dbraw/zinc/52/04/56/622520456.db2.gz	UWLAPAYJQCDCEW-LLVKDONJSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675370	622534083	/nfs/dbraw/zinc/53/40/83/622534083.db2.gz	CBFVUKJIWKWNBG-ZWNOBZJWSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911680712	622534272	/nfs/dbraw/zinc/53/42/72/622534272.db2.gz	FHURGAMTZWIYBT-JTQLQIEISA-N	-1	0	295.310	2.752	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000819801100	622559593	/nfs/dbraw/zinc/55/95/93/622559593.db2.gz	MVCNULPMCXLPSK-LLVKDONJSA-N	-1	0	250.323	2.678	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000819935861	622576668	/nfs/dbraw/zinc/57/66/68/622576668.db2.gz	NZRAQFUPDJNSER-KHPPLWFESA-N	-1	0	293.388	2.706	20	30		CFEDRM
Cc1cccc2c(C([O-])=C(C#N)C(=O)N3CCCC3)coc21	ZINC000819944588	622579888	/nfs/dbraw/zinc/57/98/88/622579888.db2.gz	SNRUXBHDRDHXOA-CYBMUJFWSA-N	-1	0	296.326	2.686	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000820084252	622608278	/nfs/dbraw/zinc/60/82/78/622608278.db2.gz	KAHFJMPUZIXOTQ-LBPRGKRZSA-N	-1	0	295.404	2.796	20	30		CFEDRM
COc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)on1	ZINC000821022080	622824265	/nfs/dbraw/zinc/82/42/65/622824265.db2.gz	NZWKDVMXXRMYRU-IHWYPQMZSA-N	-1	0	281.214	2.563	20	30		CFEDRM
Cc1nc(C)c(/C=C\C(=O)c2csc(C(=O)[O-])c2)o1	ZINC000821039064	622829029	/nfs/dbraw/zinc/82/90/29/622829029.db2.gz	OVKXXBULSCGHMP-ARJAWSKDSA-N	-1	0	277.301	2.947	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cnc3ccccn23)c([O-])c1	ZINC000156615275	622952043	/nfs/dbraw/zinc/95/20/43/622952043.db2.gz	KTYJQJJUOJTIQO-VMPITWQZSA-N	-1	0	294.310	2.945	20	30		CFEDRM
COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1C#N	ZINC000156649972	622952627	/nfs/dbraw/zinc/95/26/27/622952627.db2.gz	ZDJQVVHKXWVVCV-GORDUTHDSA-N	-1	0	295.294	2.874	20	30		CFEDRM
O=C(/C=C/c1cccc2c1OCO2)c1ccc(O)cc1[O-]	ZINC000156636573	622952935	/nfs/dbraw/zinc/95/29/35/622952935.db2.gz	FMFKSHKRYFFVQW-QPJJXVBHSA-N	-1	0	284.267	2.723	20	30		CFEDRM
CNC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1	ZINC000156676405	622953580	/nfs/dbraw/zinc/95/35/80/622953580.db2.gz	FUNVRZPEIOLHEZ-XBXARRHUSA-N	-1	0	299.301	2.787	20	30		CFEDRM
CCCCCCCC(=O)N(CC(=O)[O-])CC1CC1	ZINC000059412934	623095515	/nfs/dbraw/zinc/09/55/15/623095515.db2.gz	IHBXEYUSDHBZRD-UHFFFAOYSA-N	-1	0	255.358	2.670	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1C	ZINC000046929781	623104559	/nfs/dbraw/zinc/10/45/59/623104559.db2.gz	ZDADFQZQCDSGQD-CMPLNLGQSA-N	-1	0	267.350	2.605	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)o1	ZINC000046927504	623104564	/nfs/dbraw/zinc/10/45/64/623104564.db2.gz	YHDOVYYBYHRXGH-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(F)cc1	ZINC000046927868	623104704	/nfs/dbraw/zinc/10/47/04/623104704.db2.gz	OZQFMIIRJLFRCP-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000046929469	623105453	/nfs/dbraw/zinc/10/54/53/623105453.db2.gz	ZURHHSLHFBHTNV-UHFFFAOYSA-N	-1	0	295.360	2.725	20	30		CFEDRM
Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000076755573	623132227	/nfs/dbraw/zinc/13/22/27/623132227.db2.gz	MAGMXPDFBULEBN-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CC(C)OCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000060803477	623156703	/nfs/dbraw/zinc/15/67/03/623156703.db2.gz	QAELPEYOIMJZJG-NTEUORMPSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1c([O-])cccc1F	ZINC000228846756	623165754	/nfs/dbraw/zinc/16/57/54/623165754.db2.gz	XSVSWNUZKNBIGE-UHFFFAOYSA-N	-1	0	264.300	2.543	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)c1ccccc1)C(=O)[O-]	ZINC000823369133	623299874	/nfs/dbraw/zinc/29/98/74/623299874.db2.gz	WUZIYNCDLUJKRX-XMXAVACDSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C#CCCSc1cccc(Cl)c1-c1nn[nH]n1	ZINC000823845389	623403798	/nfs/dbraw/zinc/40/37/98/623403798.db2.gz	QKGYEEVXKBHQFV-UHFFFAOYSA-N	-1	0	264.741	2.636	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cc(Cl)ccc1C	ZINC000824660627	623541249	/nfs/dbraw/zinc/54/12/49/623541249.db2.gz	VVDDTRQBWUVHJN-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1csc(C2CCCC2)n1	ZINC000824660258	623541268	/nfs/dbraw/zinc/54/12/68/623541268.db2.gz	RIIKMGHIPKKCHO-UHFFFAOYSA-N	-1	0	280.393	2.967	20	30		CFEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000824990364	623602160	/nfs/dbraw/zinc/60/21/60/623602160.db2.gz	HGWWWNQFBSFJCF-ZDUSSCGKSA-N	-1	0	275.333	2.539	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1ccc(F)cc1	ZINC000825565452	623716574	/nfs/dbraw/zinc/71/65/74/623716574.db2.gz	DTJWHJOLSZDHGW-SNVBAGLBSA-N	-1	0	269.341	2.930	20	30		CFEDRM
CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[nH]n2)o1	ZINC000825704934	623743914	/nfs/dbraw/zinc/74/39/14/623743914.db2.gz	QULWMDHRFREBTG-VQHVLOKHSA-N	-1	0	294.314	2.918	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000152669004	623750628	/nfs/dbraw/zinc/75/06/28/623750628.db2.gz	QQKOXIQRDFCMLK-FNORWQNLSA-N	-1	0	256.305	2.813	20	30		CFEDRM
CC[C@H](C)NN=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814912844	623897249	/nfs/dbraw/zinc/89/72/49/623897249.db2.gz	CACGTLZADFXAEV-CMPLNLGQSA-N	-1	0	278.352	2.651	20	30		CFEDRM
N#CCCCCOC(=O)c1cc(-c2ccco2)[nH]n1	ZINC000914627548	623911565	/nfs/dbraw/zinc/91/15/65/623911565.db2.gz	RCTPBMRGZPUBSA-UHFFFAOYSA-N	-1	0	259.265	2.520	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cccc(Br)c2[O-])C1	ZINC000827650339	624052342	/nfs/dbraw/zinc/05/23/42/624052342.db2.gz	OXNUWGQMROMARV-ZDUSSCGKSA-N	-1	0	295.180	2.890	20	30		CFEDRM
C=CCO[N-]C(=O)COc1cc(C)c(Cl)c(C)c1	ZINC000837046111	624080899	/nfs/dbraw/zinc/08/08/99/624080899.db2.gz	DOICNKDTSKRBNX-UHFFFAOYSA-N	-1	0	269.728	2.569	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1	ZINC000827828812	624104995	/nfs/dbraw/zinc/10/49/95/624104995.db2.gz	GCKOVAZRXFOECF-INIZCTEOSA-N	-1	0	281.315	2.676	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccc3c2OCO3)cc1	ZINC000915933895	624193411	/nfs/dbraw/zinc/19/34/11/624193411.db2.gz	QZIFSSPOYCUAND-UHFFFAOYSA-N	-1	0	284.271	2.560	20	30		CFEDRM
N#Cc1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000915962532	624202754	/nfs/dbraw/zinc/20/27/54/624202754.db2.gz	SNHOSWZKKUHFKK-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
Cc1nc2ccccn2c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240970	624230035	/nfs/dbraw/zinc/23/00/35/624230035.db2.gz	ZIYQXJPWKQYFIB-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
Cc1nnc(NN=C(CC(C)C)c2ccccc2)[n-]c1=O	ZINC000916283962	624232682	/nfs/dbraw/zinc/23/26/82/624232682.db2.gz	DFOMQXVDPYDZIJ-UHFFFAOYSA-N	-1	0	285.351	2.748	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=C[C@@H]1CC=CCC1	ZINC000916305215	624238129	/nfs/dbraw/zinc/23/81/29/624238129.db2.gz	MOOFHDPPWQISSN-SSDOTTSWSA-N	-1	0	276.287	2.776	20	30		CFEDRM
Cc1ccc(NN=Cc2ccccc2OCC(=O)[O-])cc1	ZINC000916581519	624258982	/nfs/dbraw/zinc/25/89/82/624258982.db2.gz	CUHYQTILBFXEKN-UHFFFAOYSA-N	-1	0	284.315	2.904	20	30		CFEDRM
Cc1nnc(NN=Cc2cc(Cl)cc(Cl)c2)[n-]c1=O	ZINC000917538339	624351388	/nfs/dbraw/zinc/35/13/88/624351388.db2.gz	HTUIWMSSJATZAM-UHFFFAOYSA-N	-1	0	298.133	2.638	20	30		CFEDRM
Cc1ccc2c(C=NNc3[n-]cnc4ncnc3-4)c[nH]c2c1	ZINC000917555681	624359568	/nfs/dbraw/zinc/35/95/68/624359568.db2.gz	MDNOBEPNGBZAAP-UHFFFAOYSA-N	-1	0	291.318	2.589	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2cscn2)ccc1Cl	ZINC000918707456	624468410	/nfs/dbraw/zinc/46/84/10/624468410.db2.gz	GMDOENGRYKQXRE-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)C2(C#N)CC(C)C2)c1	ZINC000830322992	624707320	/nfs/dbraw/zinc/70/73/20/624707320.db2.gz	BFNZVJOAUKOGBQ-UHFFFAOYSA-N	-1	0	290.294	2.612	20	30		CFEDRM
C#CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000920986164	624794588	/nfs/dbraw/zinc/79/45/88/624794588.db2.gz	CFZNKVPDPBRRKI-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
Cc1cc(=O)[nH]c(NN=C2CCc3c2cccc3Cl)n1	ZINC000921255112	624826958	/nfs/dbraw/zinc/82/69/58/624826958.db2.gz	WVDWNNROKYIDFG-UHFFFAOYSA-N	-1	0	288.738	2.906	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)o1	ZINC000175103984	624927231	/nfs/dbraw/zinc/92/72/31/624927231.db2.gz	QPMFGAMPSLTTED-ZDUSSCGKSA-N	-1	0	288.347	2.668	20	30		CFEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cccnc1	ZINC000175315497	624947024	/nfs/dbraw/zinc/94/70/24/624947024.db2.gz	GDPUFHBUDFNGRY-ONEGZZNKSA-N	-1	0	261.227	2.962	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCSc2ccccn2)c1	ZINC000179739010	624976102	/nfs/dbraw/zinc/97/61/02/624976102.db2.gz	CNUOPTPMOQSGFW-UHFFFAOYSA-N	-1	0	299.355	2.780	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2CC3(CC3(F)F)C2)c1	ZINC000831271763	624980662	/nfs/dbraw/zinc/98/06/62/624980662.db2.gz	LUWKZVVNHGMPPT-UHFFFAOYSA-N	-1	0	278.258	2.638	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C1(c2ccccc2)CC1	ZINC000069574716	625163582	/nfs/dbraw/zinc/16/35/82/625163582.db2.gz	ZULNFBFWYCGCCP-UHFFFAOYSA-N	-1	0	281.377	2.805	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000851599181	634450517	/nfs/dbraw/zinc/45/05/17/634450517.db2.gz	LLTXUVDUCQRORR-KGLIPLIRSA-N	-1	0	299.411	2.685	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc(F)n1	ZINC000814927924	625906757	/nfs/dbraw/zinc/90/67/57/625906757.db2.gz	NLEYUSJSGANIQY-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCC2	ZINC000834915399	625921192	/nfs/dbraw/zinc/92/11/92/625921192.db2.gz	IMTBTDBZASPYFX-ZDUSSCGKSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CC[C@@H](C)CC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000834936694	625927401	/nfs/dbraw/zinc/92/74/01/625927401.db2.gz	CHDFQYYCUUBENE-SNVBAGLBSA-N	-1	0	275.377	2.955	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834936045	625927879	/nfs/dbraw/zinc/92/78/79/625927879.db2.gz	PMVMCDMQODKHST-ZWNOBZJWSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CC[C@H](NN=C1CCCC12CCCCC2)C(=O)[O-]	ZINC000834980749	625944553	/nfs/dbraw/zinc/94/45/53/625944553.db2.gz	CMGJLSDFNPKIIM-NSHDSACASA-N	-1	0	252.358	2.930	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@H](C)c2ccsc21)C(=O)[O-]	ZINC000834981477	625944786	/nfs/dbraw/zinc/94/47/86/625944786.db2.gz	QHIGUVWNHIFOBB-SCZZXKLOSA-N	-1	0	266.366	2.802	20	30		CFEDRM
CC(C)ON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000835004322	625952753	/nfs/dbraw/zinc/95/27/53/625952753.db2.gz	QMVCUHIVDZGXKC-UHFFFAOYSA-N	-1	0	258.661	2.713	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C12CCC2	ZINC000835006532	625954235	/nfs/dbraw/zinc/95/42/35/625954235.db2.gz	GNHWCMNVCVJUPS-ZDUSSCGKSA-N	-1	0	289.335	2.527	20	30		CFEDRM
COC(=O)C(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008187	625954763	/nfs/dbraw/zinc/95/47/63/625954763.db2.gz	GYUKBVOAVOLBCP-UHFFFAOYSA-N	-1	0	296.298	2.511	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000835008535	625955324	/nfs/dbraw/zinc/95/53/24/625955324.db2.gz	GYBCATVTNJJTAI-UHFFFAOYSA-N	-1	0	283.671	2.511	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C12CCC2	ZINC000835009407	625955868	/nfs/dbraw/zinc/95/58/68/625955868.db2.gz	VJUPGGHAHVDHFC-CYBMUJFWSA-N	-1	0	292.310	2.881	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCSC2)cc1F	ZINC000835009351	625956151	/nfs/dbraw/zinc/95/61/51/625956151.db2.gz	RBHNFHUIRTZWQF-QMMMGPOBSA-N	-1	0	268.313	2.675	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1F	ZINC000835010665	625956934	/nfs/dbraw/zinc/95/69/34/625956934.db2.gz	GZLWHVOUULIUEX-MNOVXSKESA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010402	625956984	/nfs/dbraw/zinc/95/69/84/625956984.db2.gz	ZSOBHMIMKUQZQP-LLVKDONJSA-N	-1	0	286.335	2.898	20	30		CFEDRM
CC1(C)OCC[C@H]1NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000835017340	625963271	/nfs/dbraw/zinc/96/32/71/625963271.db2.gz	UEQJKQMNAGREDY-GFCCVEGCSA-N	-1	0	296.754	2.529	20	30		CFEDRM
CC(C)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814892640	625965699	/nfs/dbraw/zinc/96/56/99/625965699.db2.gz	ZBFYONGTRBSCBQ-WDEREUQCSA-N	-1	0	254.374	2.745	20	30		CFEDRM
C[C@@H]1C(=NN[C@@H]2CCOC2(C)C)CC[C@H](C(=O)[O-])C1(C)C	ZINC000835020111	625966253	/nfs/dbraw/zinc/96/62/53/625966253.db2.gz	FCPZDHSRTKUCMB-NQBHXWOUSA-N	-1	0	296.411	2.656	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccoc1	ZINC000083791342	625997423	/nfs/dbraw/zinc/99/74/23/625997423.db2.gz	BUJLSHJOBRICGL-UHFFFAOYSA-N	-1	0	299.735	2.768	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C/c2ccc(F)nc2)cs1	ZINC000186410247	626045274	/nfs/dbraw/zinc/04/52/74/626045274.db2.gz	RUDYQHIARHWSTG-HNQUOIGGSA-N	-1	0	277.276	2.877	20	30		CFEDRM
N#C[C@]1(C(=O)Nc2cc(C(=O)[O-])cs2)CC12CCCC2	ZINC000923074764	626449019	/nfs/dbraw/zinc/44/90/19/626449019.db2.gz	FAHLPRXMDNKACQ-AWEZNQCLSA-N	-1	0	290.344	2.859	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C#N)CC(C)C1	ZINC000923076785	626449269	/nfs/dbraw/zinc/44/92/69/626449269.db2.gz	WBUAFKACWHIKOP-UHFFFAOYSA-N	-1	0	286.331	2.880	20	30		CFEDRM
C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CCC2)c1	ZINC000923083270	626449599	/nfs/dbraw/zinc/44/95/99/626449599.db2.gz	NEKHIDUKLGBTIT-JTQLQIEISA-N	-1	0	272.304	2.507	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923093151	626450364	/nfs/dbraw/zinc/45/03/64/626450364.db2.gz	YTOAPFSZGZJHFQ-MRVPVSSYSA-N	-1	0	283.349	2.674	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923097632	626451009	/nfs/dbraw/zinc/45/10/09/626451009.db2.gz	KXBZVTJVFDMCAE-LBPRGKRZSA-N	-1	0	266.322	2.633	20	30		CFEDRM
CSc1ccc(NC(=O)C(C)(C)C#N)cc1C(=O)[O-]	ZINC000923106508	626451506	/nfs/dbraw/zinc/45/15/06/626451506.db2.gz	PDNQHSJQXDULNL-UHFFFAOYSA-N	-1	0	278.333	2.595	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923104607	626451638	/nfs/dbraw/zinc/45/16/38/626451638.db2.gz	QUIVAAOWEJOTGY-YIYPIFLZSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccccc1	ZINC000923146622	626452698	/nfs/dbraw/zinc/45/26/98/626452698.db2.gz	GTPMBWDRZLQPDB-JOQOYGCGSA-N	-1	0	299.370	2.812	20	30		CFEDRM
O=C([O-])c1ccccc1C=NOCc1ccccc1	ZINC000839418834	626535801	/nfs/dbraw/zinc/53/58/01/626535801.db2.gz	CTJRXDIUONEWDL-UHFFFAOYSA-N	-1	0	255.273	2.936	20	30		CFEDRM
CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000756961831	626542800	/nfs/dbraw/zinc/54/28/00/626542800.db2.gz	LHZZVQBHTHNLPE-GFCCVEGCSA-N	-1	0	288.244	2.865	20	30		CFEDRM
C#CCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805113395	626546874	/nfs/dbraw/zinc/54/68/74/626546874.db2.gz	VGLXGWDIQDXWKI-UHFFFAOYSA-N	-1	0	287.146	2.522	20	30		CFEDRM
CC(=NN=C(C)c1cc(F)cc(F)c1[O-])c1cnccn1	ZINC000757465788	626552767	/nfs/dbraw/zinc/55/27/67/626552767.db2.gz	WMBUBDXFDODMLN-UHFFFAOYSA-N	-1	0	290.273	2.694	20	30		CFEDRM
O=C(/C=C/c1cn(-c2ccccc2)nn1)c1ccccc1[O-]	ZINC000757474173	626553255	/nfs/dbraw/zinc/55/32/55/626553255.db2.gz	KEPBKDGCDDAOGJ-ZHACJKMWSA-N	-1	0	291.310	2.869	20	30		CFEDRM
CCCCCCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759112354	626628870	/nfs/dbraw/zinc/62/88/70/626628870.db2.gz	UJMFRNSXMXCVMQ-UHFFFAOYSA-N	-1	0	297.317	2.957	20	30		CFEDRM
CCc1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000760216614	626720227	/nfs/dbraw/zinc/72/02/27/626720227.db2.gz	QYHSCOPSOAJYFY-UHFFFAOYSA-N	-1	0	258.277	2.986	20	30		CFEDRM
CCc1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000760242322	626723392	/nfs/dbraw/zinc/72/33/92/626723392.db2.gz	QZPSRVCKYSDKFM-UHFFFAOYSA-N	-1	0	258.277	2.986	20	30		CFEDRM
CC(C)CC(=NNc1[n-]cnc2ncnc1-2)c1ccccn1	ZINC000760252655	626724398	/nfs/dbraw/zinc/72/43/98/626724398.db2.gz	CKKRFIYQTSIDIQ-UHFFFAOYSA-N	-1	0	295.350	2.610	20	30		CFEDRM
CCCC[C@@H](CC)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000760249976	626724497	/nfs/dbraw/zinc/72/44/97/626724497.db2.gz	OOSMMXRVBOALKH-LLVKDONJSA-N	-1	0	282.413	2.676	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2sccc2c1	ZINC000761037758	626792598	/nfs/dbraw/zinc/79/25/98/626792598.db2.gz	OEPXNWZTBKUYDL-GFCCVEGCSA-N	-1	0	284.340	2.502	20	30		CFEDRM
Cn1cnc2cc(/C=C\C(=O)c3ccc(O)cc3[O-])ccc21	ZINC000761205439	626816079	/nfs/dbraw/zinc/81/60/79/626816079.db2.gz	NLDFSIVGESLUFH-CLTKARDFSA-N	-1	0	294.310	2.881	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C=C(C2CC2)C2CC2)c1	ZINC000762819116	626940359	/nfs/dbraw/zinc/94/03/59/626940359.db2.gz	POOQQONAGSDIDM-UHFFFAOYSA-N	-1	0	268.316	2.949	20	30		CFEDRM
Cc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763367904	626983181	/nfs/dbraw/zinc/98/31/81/626983181.db2.gz	HIDPQPVKPPICII-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2coc3ccccc23)nc1	ZINC000763371875	626983513	/nfs/dbraw/zinc/98/35/13/626983513.db2.gz	LBDYENSKFLCAJA-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)s1	ZINC000763369238	626983606	/nfs/dbraw/zinc/98/36/06/626983606.db2.gz	UJDWHMCXWMVTCT-UHFFFAOYSA-N	-1	0	275.333	2.904	20	30		CFEDRM
Cc1cccc2c1OCCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000763377711	626984075	/nfs/dbraw/zinc/98/40/75/626984075.db2.gz	VNZFTPJIXZTJNC-UHFFFAOYSA-N	-1	0	297.314	2.687	20	30		CFEDRM
COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763372531	626984224	/nfs/dbraw/zinc/98/42/24/626984224.db2.gz	ZSTJEGUOWVTLOX-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])sc2nccn12	ZINC000764482740	627064932	/nfs/dbraw/zinc/06/49/32/627064932.db2.gz	ASKSLBOWQOKNNX-UHFFFAOYSA-N	-1	0	298.327	2.534	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000764713522	627087073	/nfs/dbraw/zinc/08/70/73/627087073.db2.gz	CFQBEINYJLDOEJ-UHFFFAOYSA-N	-1	0	285.303	2.733	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NNc3ccc(F)cc3)[nH]nc2c1	ZINC000765549483	627146819	/nfs/dbraw/zinc/14/68/19/627146819.db2.gz	WFIIAQCJCLDKNP-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000767989208	627300899	/nfs/dbraw/zinc/30/08/99/627300899.db2.gz	CGFOERPTRXFCQR-QWHCGFSZSA-N	-1	0	295.404	2.796	20	30		CFEDRM
O=C1CCCN1N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000769589946	627458357	/nfs/dbraw/zinc/45/83/57/627458357.db2.gz	PIRKGENOVQAMAC-UHFFFAOYSA-N	-1	0	273.119	2.655	20	30		CFEDRM
CC(=NOCc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC000773034945	627772416	/nfs/dbraw/zinc/77/24/16/627772416.db2.gz	OHCPZCFQLDQFRG-UHFFFAOYSA-N	-1	0	259.261	2.919	20	30		CFEDRM
COC(=O)c1occc1C=CC(=O)c1sccc1[O-]	ZINC000773149574	627788996	/nfs/dbraw/zinc/78/89/96/627788996.db2.gz	MBFJQOCPGLUPBO-IHWYPQMZSA-N	-1	0	278.285	2.729	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)CCCC(=O)[O-])c1ccc(F)c(F)c1	ZINC000773899331	627869479	/nfs/dbraw/zinc/86/94/79/627869479.db2.gz	GEFFMDOPPHDSMD-OAHLLOKOSA-N	-1	0	297.301	2.953	20	30		CFEDRM
C#Cc1cncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000774066644	627884379	/nfs/dbraw/zinc/88/43/79/627884379.db2.gz	KORGLLLTVNODIJ-UHFFFAOYSA-N	-1	0	295.323	2.745	20	30		CFEDRM
CCC(CC)CNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000774472710	627930741	/nfs/dbraw/zinc/93/07/41/627930741.db2.gz	OELCHGALRVRXJI-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(CC)cc1	ZINC000774542253	627936599	/nfs/dbraw/zinc/93/65/99/627936599.db2.gz	BAZMDTKALNEOLR-UHFFFAOYSA-N	-1	0	295.404	2.551	20	30		CFEDRM
CC(=NOC1CCCC1)c1ccc(CC(=O)[O-])cc1	ZINC000774607716	627941551	/nfs/dbraw/zinc/94/15/51/627941551.db2.gz	HPANUNKQWUBGOK-UHFFFAOYSA-N	-1	0	261.321	2.997	20	30		CFEDRM
CC(=NNc1ccccn1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776724510	628170867	/nfs/dbraw/zinc/17/08/67/628170867.db2.gz	WQHXCQVODUULME-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cc(Cl)ccn2)ccc1O	ZINC000777443240	628226686	/nfs/dbraw/zinc/22/66/86/628226686.db2.gz	QYSZYGDLUUUJLA-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
O=C([O-])c1csc(C=NOCCC(F)(F)F)c1	ZINC000777460885	628227963	/nfs/dbraw/zinc/22/79/63/628227963.db2.gz	ZMEPALVDHHYQOC-UHFFFAOYSA-N	-1	0	267.228	2.749	20	30		CFEDRM
Cc1cccnc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000781575887	628561655	/nfs/dbraw/zinc/56/16/55/628561655.db2.gz	WIAVWLBCBXGEFS-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ncccc1C	ZINC000781597601	628563932	/nfs/dbraw/zinc/56/39/32/628563932.db2.gz	WLTNSCMKNHYLPU-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
O=C([O-])c1csc(/C=C2/Cc3cc(O)ccc3C2=O)c1	ZINC000782208346	628614704	/nfs/dbraw/zinc/61/47/04/628614704.db2.gz	YHIJQEZKWGVWPJ-UITAMQMPSA-N	-1	0	286.308	2.974	20	30		CFEDRM
CC(=NNC1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000786043719	628932651	/nfs/dbraw/zinc/93/26/51/628932651.db2.gz	UEMAXBGUYNCXCX-UHFFFAOYSA-N	-1	0	277.324	2.947	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NN[C@H](CO)c1ccccc1	ZINC000788469128	629071737	/nfs/dbraw/zinc/07/17/37/629071737.db2.gz	OEAUIPSRWOYRFT-CQSZACIVSA-N	-1	0	290.750	2.703	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NNCC(F)(F)F)c2ccccc21	ZINC000789050210	629120316	/nfs/dbraw/zinc/12/03/16/629120316.db2.gz	ACTMJGZVDHDADA-JTQLQIEISA-N	-1	0	286.253	2.505	20	30		CFEDRM
C=C[C@H](CC(=O)OCc1n[n-]c(C)cc1=O)c1ccccc1	ZINC000789780133	629187822	/nfs/dbraw/zinc/18/78/22/629187822.db2.gz	YPMNKSGJWZSLOP-CYBMUJFWSA-N	-1	0	298.342	2.894	20	30		CFEDRM
COCC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000790136646	629212774	/nfs/dbraw/zinc/21/27/74/629212774.db2.gz	PWKATOQPXDWCKH-UHFFFAOYSA-N	-1	0	284.315	2.847	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2Cl)C(=O)O1	ZINC000790207778	629220024	/nfs/dbraw/zinc/22/00/24/629220024.db2.gz	DCDXNYXOHQQFJF-KXMPLOMGSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=CC[C@H](NC(=O)c1cccc(O)c1O)c1ccncc1	ZINC000790722941	629258830	/nfs/dbraw/zinc/25/88/30/629258830.db2.gz	CNRJXXQQSJTJLH-ZDUSSCGKSA-N	-1	0	284.315	2.540	20	30		CFEDRM
O=C(OCC#Cc1ccccc1)c1cc(F)c([O-])c(F)c1	ZINC000791401064	629309675	/nfs/dbraw/zinc/30/96/75/629309675.db2.gz	JXXVJHUYQGIVMI-UHFFFAOYSA-N	-1	0	288.249	2.879	20	30		CFEDRM
CC[C@H](C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000791501939	629323333	/nfs/dbraw/zinc/32/33/33/629323333.db2.gz	FHEJULTXVDQRJZ-GXSJLCMTSA-N	-1	0	294.376	2.607	20	30		CFEDRM
C#Cc1ccc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc1	ZINC000792635333	629440797	/nfs/dbraw/zinc/44/07/97/629440797.db2.gz	QPBADZAUZCOXLH-UHFFFAOYSA-N	-1	0	294.310	2.821	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(Cl)cc(C)c1O)C(=O)[O-]	ZINC000793059059	629481426	/nfs/dbraw/zinc/48/14/26/629481426.db2.gz	XVHAUXYGOMQPHA-NSHDSACASA-N	-1	0	284.743	2.531	20	30		CFEDRM
CC[C@@H](NN=Cc1ccccc1OC1CCCC1)C(=O)[O-]	ZINC000793071361	629482976	/nfs/dbraw/zinc/48/29/76/629482976.db2.gz	DDENCLCNGDGTJQ-CQSZACIVSA-N	-1	0	290.363	2.795	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](Oc2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793070901	629483032	/nfs/dbraw/zinc/48/30/32/629483032.db2.gz	FYEHZHBCNQVEER-JSGCOSHPSA-N	-1	0	290.363	2.673	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(SC)cc1)C(=O)[O-]	ZINC000793073064	629483545	/nfs/dbraw/zinc/48/35/45/629483545.db2.gz	XWNNEQQJMDEQSB-LBPRGKRZSA-N	-1	0	266.366	2.585	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H](c2ncccc2C)C1)C(=O)[O-]	ZINC000793073077	629483569	/nfs/dbraw/zinc/48/35/69/629483569.db2.gz	YDYJXYXXRGVMFH-JSGCOSHPSA-N	-1	0	289.379	2.856	20	30		CFEDRM
CC[C@H](NN=C1CCCCc2ccccc21)C(=O)[O-]	ZINC000793073315	629483875	/nfs/dbraw/zinc/48/38/75/629483875.db2.gz	SCUPJAVZNCZIEI-ZDUSSCGKSA-N	-1	0	260.337	2.570	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000793072844	629483899	/nfs/dbraw/zinc/48/38/99/629483899.db2.gz	QKRJLJMBNCZRSU-GFCCVEGCSA-N	-1	0	293.323	2.505	20	30		CFEDRM
CC[C@H](NN=C1CCCc2c(Cl)cccc21)C(=O)[O-]	ZINC000793078899	629484605	/nfs/dbraw/zinc/48/46/05/629484605.db2.gz	PHKZRDMBDJFHSL-LBPRGKRZSA-N	-1	0	280.755	2.833	20	30		CFEDRM
CC[C@@H](NN=C1CCOc2c(C)cc(Cl)cc21)C(=O)[O-]	ZINC000793080506	629484935	/nfs/dbraw/zinc/48/49/35/629484935.db2.gz	BAFCKBKJNPQGKQ-LLVKDONJSA-N	-1	0	296.754	2.588	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1	ZINC000793735698	629589652	/nfs/dbraw/zinc/58/96/52/629589652.db2.gz	PIELUHHXOXWIHQ-CYBMUJFWSA-N	-1	0	282.274	2.681	20	30		CFEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OC/C=C\Cl	ZINC000794294401	629632879	/nfs/dbraw/zinc/63/28/79/629632879.db2.gz	FVVIIUIMZPCUFA-PRUHKGEBSA-N	-1	0	278.739	2.559	20	30		CFEDRM
O=C([O-])c1cc(N=NCC2(F)CC2)ccc1Cl	ZINC000794453474	629647628	/nfs/dbraw/zinc/64/76/28/629647628.db2.gz	OWQMEUQGLMZABQ-UHFFFAOYSA-N	-1	0	256.664	2.938	20	30		CFEDRM
CC(C)n1nccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000794448504	629647910	/nfs/dbraw/zinc/64/79/10/629647910.db2.gz	OBGSNEUQCCOUCN-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2c(F)ccc(O)c2F)c1	ZINC000794452482	629647965	/nfs/dbraw/zinc/64/79/65/629647965.db2.gz	XRBWDLCQQDLWEZ-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccnc(F)c2)c1	ZINC000794722660	629679855	/nfs/dbraw/zinc/67/98/55/629679855.db2.gz	RYSBSGCMRFSYCD-OWOJBTEDSA-N	-1	0	277.276	2.877	20	30		CFEDRM
CCn1ncnc1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000794848539	629693874	/nfs/dbraw/zinc/69/38/74/629693874.db2.gz	QEVRPPUZJUWWMW-PJQLUOCWSA-N	-1	0	299.161	2.930	20	30		CFEDRM
COCCCON=Cc1cc(Cl)cc(F)c1[O-]	ZINC000795051316	629730054	/nfs/dbraw/zinc/73/00/54/629730054.db2.gz	OBGIWADOQWMYBT-UHFFFAOYSA-N	-1	0	261.680	2.572	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2	ZINC000835562260	629842683	/nfs/dbraw/zinc/84/26/83/629842683.db2.gz	BHOOVEAZPNUBMT-RYSNWHEDSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=COCC2)s1	ZINC000797568384	630082176	/nfs/dbraw/zinc/08/21/76/630082176.db2.gz	HXLZVOGMMQNMFI-JTQLQIEISA-N	-1	0	276.361	2.921	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)no1	ZINC000798230442	630168570	/nfs/dbraw/zinc/16/85/70/630168570.db2.gz	NLRHZIJOXHOLGD-IHWYPQMZSA-N	-1	0	265.215	2.863	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1	ZINC000798817406	630241506	/nfs/dbraw/zinc/24/15/06/630241506.db2.gz	XHXSHRLEVVDRHE-HNNXBMFYSA-N	-1	0	282.343	2.579	20	30		CFEDRM
O=c1[n-]c(N=NC2CCC23CCOCC3)nc2ccccc21	ZINC000799881856	630351181	/nfs/dbraw/zinc/35/11/81/630351181.db2.gz	ZLBGWVORPPVULH-UHFFFAOYSA-N	-1	0	298.346	2.694	20	30		CFEDRM
O=C([O-])Cn1cc(C=NNC2CCCCC2)c2ccccc21	ZINC000799886595	630351979	/nfs/dbraw/zinc/35/19/79/630351979.db2.gz	WRILSHRTRXNLJK-UHFFFAOYSA-N	-1	0	299.374	2.982	20	30		CFEDRM
CC(=O)CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000800383931	630375795	/nfs/dbraw/zinc/37/57/95/630375795.db2.gz	IXMHKWSVJUKCFI-CYBMUJFWSA-N	-1	0	296.326	2.737	20	30		CFEDRM
CSCC(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000800524864	630394114	/nfs/dbraw/zinc/39/41/14/630394114.db2.gz	OHLASBDAWJBIJG-UHFFFAOYSA-N	-1	0	264.350	2.592	20	30		CFEDRM
Cn1cnc(/C=C\C(=O)c2cc(Cl)ccc2[O-])c1	ZINC000800794278	630404155	/nfs/dbraw/zinc/40/41/55/630404155.db2.gz	AWAGTLHLRJZGGA-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(C)cc2)cc1C(=O)[O-]	ZINC000800803201	630405791	/nfs/dbraw/zinc/40/57/91/630405791.db2.gz	ATXHIWVZBNDURU-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
Cc1[nH]c(C=NN[C@@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000800811301	630406922	/nfs/dbraw/zinc/40/69/22/630406922.db2.gz	PADIDBWHGIDIAF-JTQLQIEISA-N	-1	0	271.320	2.706	20	30		CFEDRM
CC(C)C(Cn1cccn1)N=Nc1ccccc1C(=O)[O-]	ZINC000802710242	630539427	/nfs/dbraw/zinc/53/94/27/630539427.db2.gz	XDPQFNSLFPNVHW-UHFFFAOYSA-N	-1	0	286.335	2.705	20	30		CFEDRM
CC(C)c1[nH]ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000802891892	630560637	/nfs/dbraw/zinc/56/06/37/630560637.db2.gz	WOWZGOHWSCMDCP-UHFFFAOYSA-N	-1	0	269.304	2.968	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000837044152	630943421	/nfs/dbraw/zinc/94/34/21/630943421.db2.gz	JBPMLCNADPWGJG-LBPRGKRZSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1	ZINC000837047941	630946394	/nfs/dbraw/zinc/94/63/94/630946394.db2.gz	KZUNTLKJKXEXQN-AVGNSLFASA-N	-1	0	255.358	2.594	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-][C@@H](C)C(F)(F)F	ZINC000808318986	630980008	/nfs/dbraw/zinc/98/00/08/630980008.db2.gz	GWXBIEROAKUSTO-VIFPVBQESA-N	-1	0	275.336	2.827	20	30		CFEDRM
CC[C@H](CC(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000837495899	631047586	/nfs/dbraw/zinc/04/75/86/631047586.db2.gz	GBYRAWIRDHTGLM-SECBINFHSA-N	-1	0	268.263	2.884	20	30		CFEDRM
CCc1cnccc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809158404	631091938	/nfs/dbraw/zinc/09/19/38/631091938.db2.gz	SYBBGBXWKFWRQA-HWKANZROSA-N	-1	0	297.310	2.944	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1ncc(C(C)(C)C)s1	ZINC000840947953	631276756	/nfs/dbraw/zinc/27/67/56/631276756.db2.gz	DVKJYTJYAFTDCD-UHFFFAOYSA-N	-1	0	286.422	2.596	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccoc1	ZINC000042319844	649998085	/nfs/dbraw/zinc/99/80/85/649998085.db2.gz	PHKFVRMFKYYHKV-VQHVLOKHSA-N	-1	0	277.301	2.585	20	30		CFEDRM
O=C([O-])CNN=C1CC[C@H](c2cccc(Cl)c2)C1	ZINC000841639608	631441651	/nfs/dbraw/zinc/44/16/51/631441651.db2.gz	BKPBBUJFQXOMIX-JTQLQIEISA-N	-1	0	266.728	2.638	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(/C)C(C)(C)C)CC1	ZINC000810985829	631491232	/nfs/dbraw/zinc/49/12/32/631491232.db2.gz	ISGLSCWTPVAPLC-KHPPLWFESA-N	-1	0	285.409	2.534	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](CC)CC2)CC1	ZINC000810987161	631491426	/nfs/dbraw/zinc/49/14/26/631491426.db2.gz	AECNJOCFVDUYJD-JOCQHMNTSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000810984286	631491497	/nfs/dbraw/zinc/49/14/97/631491497.db2.gz	YMRTVQLUYZUREW-RYUDHWBXSA-N	-1	0	299.436	2.613	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1cnccn1	ZINC000811638778	631590025	/nfs/dbraw/zinc/59/00/25/631590025.db2.gz	ZYRXBOKPZCURSS-UHFFFAOYSA-N	-1	0	296.330	2.717	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc3[nH]ccc3c2)nc1	ZINC000811645933	631591887	/nfs/dbraw/zinc/59/18/87/631591887.db2.gz	FNGMEIREQOABNR-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
C[C@H](COc1ccccc1)NN=Cc1ccc(C(=O)[O-])cc1	ZINC000811666023	631601398	/nfs/dbraw/zinc/60/13/98/631601398.db2.gz	WMGUZGBANKNWHL-CYBMUJFWSA-N	-1	0	298.342	2.776	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NOC/C=C/Cl)cc1)C(=O)[O-]	ZINC000811668306	631603129	/nfs/dbraw/zinc/60/31/29/631603129.db2.gz	DMJHBZCWOKRUCV-SQIOTASVSA-N	-1	0	283.711	2.642	20	30		CFEDRM
O=C([O-])Cn1cc(C=NOC/C=C\Cl)c2ccccc21	ZINC000811672372	631604720	/nfs/dbraw/zinc/60/47/20/631604720.db2.gz	XMPMFHXUPMZAGI-AIEBDEASSA-N	-1	0	292.722	2.829	20	30		CFEDRM
COc1cccc(O)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000812486066	631725158	/nfs/dbraw/zinc/72/51/58/631725158.db2.gz	CNUANFKXWQTATD-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
C#CCO[N-]C(=O)C(C)(C)c1ccc2ccccc2c1	ZINC000812781013	631773371	/nfs/dbraw/zinc/77/33/71/631773371.db2.gz	FDXXKWHCTGZBRW-UHFFFAOYSA-N	-1	0	267.328	2.798	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1C	ZINC000155949955	650038062	/nfs/dbraw/zinc/03/80/62/650038062.db2.gz	SAEHMAZYLJDMCT-CQSZACIVSA-N	-1	0	290.338	2.763	20	30		CFEDRM
C=CCN(CCC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000814171609	632021816	/nfs/dbraw/zinc/02/18/16/632021816.db2.gz	RSQWJCCBMPVTMF-UHFFFAOYSA-N	-1	0	295.726	2.855	20	30		CFEDRM
C=CCCO[N-]C(=O)C(CC)(CC)C(=O)OC(C)(C)C	ZINC000856027926	635703120	/nfs/dbraw/zinc/70/31/20/635703120.db2.gz	GQHIVRRYQBOYBM-UHFFFAOYSA-N	-1	0	285.384	2.758	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2nc3ccccc3s2)C1	ZINC000814684912	632107606	/nfs/dbraw/zinc/10/76/06/632107606.db2.gz	JNNIOGJQZUZIDL-UHFFFAOYSA-N	-1	0	261.306	2.559	20	30		CFEDRM
C[C@H]1C(N=Nc2nc3ccccc3[nH]2)CC[C@@H]1CC(=O)[O-]	ZINC000814708756	632111575	/nfs/dbraw/zinc/11/15/75/632111575.db2.gz	LPACLZPITQJKEK-NXEZZACHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[C@@H]1C(=O)[O-]	ZINC000814709236	632111769	/nfs/dbraw/zinc/11/17/69/632111769.db2.gz	WCGSMIXOEVQIMV-KOLCDFICSA-N	-1	0	286.335	2.852	20	30		CFEDRM
CC(N=Nc1ccccn1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814732025	632115339	/nfs/dbraw/zinc/11/53/39/632115339.db2.gz	ULQNZVXILWVAPA-LBPRGKRZSA-N	-1	0	299.330	2.770	20	30		CFEDRM
Cc1nnc(NN=Cc2ccc(C3CCC3)cc2)[n-]c1=O	ZINC000814734970	632116321	/nfs/dbraw/zinc/11/63/21/632116321.db2.gz	MTHZJQFTLZLOES-UHFFFAOYSA-N	-1	0	283.335	2.599	20	30		CFEDRM
CC(C)(C#N)[C@@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000814783232	632122769	/nfs/dbraw/zinc/12/27/69/632122769.db2.gz	ZETWVVMPPKHCNN-MRVPVSSYSA-N	-1	0	293.758	2.953	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncccn1	ZINC000814797978	632126318	/nfs/dbraw/zinc/12/63/18/632126318.db2.gz	UFKXOOVEKSAKDT-UHFFFAOYSA-N	-1	0	264.329	2.690	20	30		CFEDRM
CCCNN=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000814804302	632127048	/nfs/dbraw/zinc/12/70/48/632127048.db2.gz	JDUCHLSRKJMHLP-ZDUSSCGKSA-N	-1	0	292.379	2.847	20	30		CFEDRM
C[C@H]1C(=NNCc2cc(F)ccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814808712	632130221	/nfs/dbraw/zinc/13/02/21/632130221.db2.gz	GOOBSXZDTCVYHI-NXEZZACHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C[C@H]2C)nc1	ZINC000814831908	632134406	/nfs/dbraw/zinc/13/44/06/632134406.db2.gz	WQZOHXPTRBGMHZ-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@H]1C(N=Nc2ccnc3ccccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814841219	632136181	/nfs/dbraw/zinc/13/61/81/632136181.db2.gz	HBBNJDPNRCFRQD-VXGBXAGGSA-N	-1	0	297.358	2.945	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccc(F)cn2)C1	ZINC000814843062	632137150	/nfs/dbraw/zinc/13/71/50/632137150.db2.gz	YKTSJJBTNJZLPY-UHFFFAOYSA-N	-1	0	299.305	2.805	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2cnnc3ccccc32)c1	ZINC000814849021	632138106	/nfs/dbraw/zinc/13/81/06/632138106.db2.gz	DNXSAPFOQHMPPL-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
Cc1ccnc(N=NC(C)CC2(C(=O)[O-])CCC2)c1	ZINC000814868304	632142305	/nfs/dbraw/zinc/14/23/05/632142305.db2.gz	OCAADXOQSRBDKE-UHFFFAOYSA-N	-1	0	261.325	2.823	20	30		CFEDRM
C[C@@H]1CC(=NNCc2cc(F)ccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814872785	632145018	/nfs/dbraw/zinc/14/50/18/632145018.db2.gz	YLTBTJKRHXORAI-RNCFNFMXSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-]	ZINC000814882755	632147463	/nfs/dbraw/zinc/14/74/63/632147463.db2.gz	NRZRBNLXAZVJRJ-XHDPSFHLSA-N	-1	0	285.347	2.525	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(C#N)cc1	ZINC000814882706	632147609	/nfs/dbraw/zinc/14/76/09/632147609.db2.gz	MNJKJSXAEGNGMA-SMDDNHRTSA-N	-1	0	285.347	2.525	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814882753	632147668	/nfs/dbraw/zinc/14/76/68/632147668.db2.gz	NRZRBNLXAZVJRJ-NHYWBVRUSA-N	-1	0	285.347	2.525	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCc1cccnc1	ZINC000814884260	632148219	/nfs/dbraw/zinc/14/82/19/632148219.db2.gz	SWEJRCTXTHTFLC-UHFFFAOYSA-N	-1	0	284.315	2.947	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1C[C@@H](C)[C@@H]1C	ZINC000814887549	632150080	/nfs/dbraw/zinc/15/00/80/632150080.db2.gz	SMENCFBIBGUQQM-BDAKNGLRSA-N	-1	0	262.309	2.837	20	30		CFEDRM
C[C@H]1C(N=Nc2ncc(F)cn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814888616	632150246	/nfs/dbraw/zinc/15/02/46/632150246.db2.gz	IAONRTIMDXVDIR-WPRPVWTQSA-N	-1	0	294.330	2.541	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[C@H]1CC(=O)[O-]	ZINC000814900102	632155203	/nfs/dbraw/zinc/15/52/03/632155203.db2.gz	DGLYIPINLGGQBK-ZJUUUORDSA-N	-1	0	286.335	2.852	20	30		CFEDRM
COc1cccc(NN=C(C)c2csc(C(=O)[O-])c2)n1	ZINC000814900353	632155355	/nfs/dbraw/zinc/15/53/55/632155355.db2.gz	OXJNXJXAVRLWIY-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
[O-]c1cc(F)c(Cl)cc1C=NOCC(F)F	ZINC000814904010	632157634	/nfs/dbraw/zinc/15/76/34/632157634.db2.gz	MRAWQPVGYPQAFA-UHFFFAOYSA-N	-1	0	253.607	2.800	20	30		CFEDRM
COc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)nc1	ZINC000814908687	632160049	/nfs/dbraw/zinc/16/00/49/632160049.db2.gz	SGYUUUVWLXIMJL-UHFFFAOYSA-N	-1	0	277.324	2.523	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NOCCC(F)(F)F	ZINC000814910554	632160523	/nfs/dbraw/zinc/16/05/23/632160523.db2.gz	WTAINGRKRIBCCI-YUMQZZPRSA-N	-1	0	267.247	2.832	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NOCCC(F)(F)F	ZINC000814910551	632160961	/nfs/dbraw/zinc/16/09/61/632160961.db2.gz	WTAINGRKRIBCCI-JGVFFNPUSA-N	-1	0	267.247	2.832	20	30		CFEDRM
CC(=NOC[C@@H]1CCOC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814912330	632162026	/nfs/dbraw/zinc/16/20/26/632162026.db2.gz	PTHCSBSEUAXMPI-UPJWGTAASA-N	-1	0	283.368	2.552	20	30		CFEDRM
CC[C@H](C)NN=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000814912774	632162334	/nfs/dbraw/zinc/16/23/34/632162334.db2.gz	AMOODCNVXFDIQD-LBPRGKRZSA-N	-1	0	292.379	2.847	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814917519	632163372	/nfs/dbraw/zinc/16/33/72/632163372.db2.gz	MNYZNWBGMMGOOI-ZDUSSCGKSA-N	-1	0	260.337	2.887	20	30		CFEDRM
CSCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814921757	632165987	/nfs/dbraw/zinc/16/59/87/632165987.db2.gz	AMOOPWPNFROCRZ-VHSXEESVSA-N	-1	0	273.398	2.879	20	30		CFEDRM
CSCCON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814921837	632166115	/nfs/dbraw/zinc/16/61/15/632166115.db2.gz	FPEFGQRNPGWECB-UHFFFAOYSA-N	-1	0	279.361	2.609	20	30		CFEDRM
CSCCON=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814921961	632166189	/nfs/dbraw/zinc/16/61/89/632166189.db2.gz	MHGCTPITWYTJEE-UHFFFAOYSA-N	-1	0	263.721	2.898	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cccc(F)n2)CC[C@H]1C(=O)[O-]	ZINC000814927697	632168338	/nfs/dbraw/zinc/16/83/38/632168338.db2.gz	AODKOCRQZLFXGW-PSASIEDQSA-N	-1	0	265.288	2.509	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ncccc2F)C1	ZINC000814927495	632168638	/nfs/dbraw/zinc/16/86/38/632168638.db2.gz	QLAAITSNTSNGAO-UHFFFAOYSA-N	-1	0	299.305	2.805	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(-c2cccs2)cc1F	ZINC000814958364	632179711	/nfs/dbraw/zinc/17/97/11/632179711.db2.gz	NZZPTQSLLNNSNB-UHFFFAOYSA-N	-1	0	278.308	2.562	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1cccc(OCc2ccccc2)c1	ZINC000814959801	632179980	/nfs/dbraw/zinc/17/99/80/632179980.db2.gz	BNNYGSWZAHXBRV-UHFFFAOYSA-N	-1	0	298.342	2.664	20	30		CFEDRM
CC(=NNc1cnnn1C)c1ccc2ccccc2c1O	ZINC000814979926	632183333	/nfs/dbraw/zinc/18/33/33/632183333.db2.gz	VCVUERRVTVKHSV-UHFFFAOYSA-N	-1	0	281.319	2.510	20	30		CFEDRM
C=CC[C@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000844588221	632255545	/nfs/dbraw/zinc/25/55/45/632255545.db2.gz	QLPZECXVMPIDHS-JTQLQIEISA-N	-1	0	259.309	2.924	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000844621794	632266261	/nfs/dbraw/zinc/26/62/61/632266261.db2.gz	NAKPGIURLTXMDL-QMMMGPOBSA-N	-1	0	250.254	2.616	20	30		CFEDRM
CCOCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844622510	632266657	/nfs/dbraw/zinc/26/66/57/632266657.db2.gz	FDVJCIKIBIVRNS-UHFFFAOYSA-N	-1	0	250.298	2.518	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cscn1	ZINC000845839706	632577770	/nfs/dbraw/zinc/57/77/70/632577770.db2.gz	WBBHHGDXWWEBLI-GFCCVEGCSA-N	-1	0	296.351	2.766	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1	ZINC000845841726	632578042	/nfs/dbraw/zinc/57/80/42/632578042.db2.gz	PNPPGNIRPUZSFH-OAHLLOKOSA-N	-1	0	292.338	2.648	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccsn1	ZINC000845844487	632578169	/nfs/dbraw/zinc/57/81/69/632578169.db2.gz	RWMXEWKZLWYGCP-LBPRGKRZSA-N	-1	0	296.351	2.766	20	30		CFEDRM
C=C(C)CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000845870759	632588313	/nfs/dbraw/zinc/58/83/13/632588313.db2.gz	PCHSKQYCCGKERO-SECBINFHSA-N	-1	0	252.270	2.825	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C3CC3)c2)C(=O)O1	ZINC000817342258	632609979	/nfs/dbraw/zinc/60/99/79/632609979.db2.gz	RKKODJKBRMMPPP-JZLODUJNSA-N	-1	0	296.322	2.792	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C3CC3)c2)C(=O)O1	ZINC000817342255	632609985	/nfs/dbraw/zinc/60/99/85/632609985.db2.gz	RKKODJKBRMMPPP-CTEOGUNLSA-N	-1	0	296.322	2.792	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C\C1CCCCCC1	ZINC000846118363	632639484	/nfs/dbraw/zinc/63/94/84/632639484.db2.gz	MUIDEASYMUNECM-KTKRTIGZSA-N	-1	0	265.353	2.612	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1	ZINC000846145856	632646654	/nfs/dbraw/zinc/64/66/54/632646654.db2.gz	CWOUKKDTROMCKL-UHFFFAOYSA-N	-1	0	296.754	2.519	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(C)cccc1C(C)C	ZINC000846152341	632648918	/nfs/dbraw/zinc/64/89/18/632648918.db2.gz	SARBMVLBDZRSQT-LBPRGKRZSA-N	-1	0	290.363	2.679	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1SCCc2ccccc21	ZINC000846538725	632727417	/nfs/dbraw/zinc/72/74/17/632727417.db2.gz	ZMWRGBSWIHFMSJ-ZDUSSCGKSA-N	-1	0	263.362	2.641	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(C)cc2)CCOCC1	ZINC000846538688	632727930	/nfs/dbraw/zinc/72/79/30/632727930.db2.gz	KUVRATKOFLSBHC-UHFFFAOYSA-N	-1	0	289.375	2.667	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1c(C)cc(C)cc1C	ZINC000846540585	632729993	/nfs/dbraw/zinc/72/99/93/632729993.db2.gz	BSOUMMHDXUUEKR-UHFFFAOYSA-N	-1	0	263.337	2.615	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(C)ccc1Cl	ZINC000846542271	632731126	/nfs/dbraw/zinc/73/11/26/632731126.db2.gz	YABWUMKPZDCTGW-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(SC)cc1	ZINC000846544797	632733068	/nfs/dbraw/zinc/73/30/68/632733068.db2.gz	JMNSLLWKZHPTMA-MNOVXSKESA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(OC)cc1	ZINC000846550094	632738088	/nfs/dbraw/zinc/73/80/88/632738088.db2.gz	UWKKCDFMVXSAHD-NSHDSACASA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CC(C)(C)Oc2ccccc21	ZINC000846554290	632740571	/nfs/dbraw/zinc/74/05/71/632740571.db2.gz	JVCXFMIUWLIQMV-AAEUAGOBSA-N	-1	0	275.348	2.954	20	30		CFEDRM
CCCCCCCCC(=O)Nc1nc[nH]c1C(=O)OC	ZINC000847018681	632883750	/nfs/dbraw/zinc/88/37/50/632883750.db2.gz	QXBROHCCWJOLNO-UHFFFAOYSA-N	-1	0	281.356	2.885	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F	ZINC000847624611	633011236	/nfs/dbraw/zinc/01/12/36/633011236.db2.gz	UXTHXWRFHDRNCR-JTQLQIEISA-N	-1	0	298.264	2.610	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000848413693	633252678	/nfs/dbraw/zinc/25/26/78/633252678.db2.gz	CHQPLEUVDCCELU-CYBMUJFWSA-N	-1	0	276.336	2.528	20	30		CFEDRM
COC(C)(C)CCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415154	633253139	/nfs/dbraw/zinc/25/31/39/633253139.db2.gz	YAANPKQDVAJENG-UHFFFAOYSA-N	-1	0	264.325	2.527	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc(F)cc1[O-]	ZINC000848641023	633306859	/nfs/dbraw/zinc/30/68/59/633306859.db2.gz	XYBRYXJPRDDQHC-ALCCZGGFSA-N	-1	0	286.306	2.960	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cc3n(n2)CCCC3)c([O-])c1	ZINC000848640622	633307045	/nfs/dbraw/zinc/30/70/45/633307045.db2.gz	QIPVPIIEMXRMPF-VMPITWQZSA-N	-1	0	298.342	2.830	20	30		CFEDRM
O=C(C=Cc1cn(C2CCC2)nn1)c1sccc1[O-]	ZINC000849249938	633591078	/nfs/dbraw/zinc/59/10/78/633591078.db2.gz	ONIMSLFSROUFKQ-PLNGDYQASA-N	-1	0	275.333	2.666	20	30		CFEDRM
O=C(C=Cc1cn(C2CCC2)nn1)c1sccc1[O-]	ZINC000849249939	633591403	/nfs/dbraw/zinc/59/14/03/633591403.db2.gz	ONIMSLFSROUFKQ-SNAWJCMRSA-N	-1	0	275.333	2.666	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850751327	634079599	/nfs/dbraw/zinc/07/95/99/634079599.db2.gz	AGGMEUBQBSXXMR-VIFPVBQESA-N	-1	0	282.340	2.516	20	30		CFEDRM
CC(CSCCF)N=Nc1ccccc1C(=O)[O-]	ZINC000853279997	634958157	/nfs/dbraw/zinc/95/81/57/634958157.db2.gz	ABNPGMVTUVOEFM-UHFFFAOYSA-N	-1	0	270.329	2.875	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC000853349653	634979940	/nfs/dbraw/zinc/97/99/40/634979940.db2.gz	DHVQSUINNBDWRD-SECBINFHSA-N	-1	0	266.316	2.882	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853349988	634980546	/nfs/dbraw/zinc/98/05/46/634980546.db2.gz	NODDGXGLTLIMPP-SECBINFHSA-N	-1	0	253.273	2.921	20	30		CFEDRM
Cc1c(N=NC2CO[C@@H](C3CC3)C2)cccc1C(=O)[O-]	ZINC000853370601	634985213	/nfs/dbraw/zinc/98/52/13/634985213.db2.gz	RJVUFYKFHOOCJG-CQSZACIVSA-N	-1	0	274.320	2.660	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@H]2CC2(Cl)Cl)cc1	ZINC000853370748	634985320	/nfs/dbraw/zinc/98/53/20/634985320.db2.gz	VSBJNPYGQRODCS-SECBINFHSA-N	-1	0	287.146	2.905	20	30		CFEDRM
CC(=NN1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1O	ZINC000853380941	634988361	/nfs/dbraw/zinc/98/83/61/634988361.db2.gz	YJDCDODSDCMUIK-SNVBAGLBSA-N	-1	0	276.336	2.689	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCC2CCC2)C1	ZINC000853441454	635001663	/nfs/dbraw/zinc/00/16/63/635001663.db2.gz	XRAZBJTZMRBIOB-UHFFFAOYSA-N	-1	0	273.332	2.976	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]Oc2ccccc2)CC12CCCC2	ZINC000854536766	635331456	/nfs/dbraw/zinc/33/14/56/635331456.db2.gz	VFKDLVZYPAEFSA-OAHLLOKOSA-N	-1	0	256.305	2.571	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000112785770	635420927	/nfs/dbraw/zinc/42/09/27/635420927.db2.gz	ZKSUWMPZVUVNMO-AWEZNQCLSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC000855439025	635552646	/nfs/dbraw/zinc/55/26/46/635552646.db2.gz	UAUBMDYSNPQJAM-LBPRGKRZSA-N	-1	0	297.358	2.764	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc2ccccc21	ZINC000113654039	635644385	/nfs/dbraw/zinc/64/43/85/635644385.db2.gz	UQNKMJNFJUUDFO-ZDUSSCGKSA-N	-1	0	296.326	2.814	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)Oc1ccc(F)cc1	ZINC000856029912	635705288	/nfs/dbraw/zinc/70/52/88/635705288.db2.gz	IJGYHKZNEMAQKL-UHFFFAOYSA-N	-1	0	267.300	2.607	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1	ZINC000046708727	650222348	/nfs/dbraw/zinc/22/23/48/650222348.db2.gz	YEWUTIXRRNLUPT-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCCOCC1	ZINC000857211571	635947786	/nfs/dbraw/zinc/94/77/86/635947786.db2.gz	JLBVGWLEQBRYAV-NSHDSACASA-N	-1	0	292.335	2.608	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494349	650268251	/nfs/dbraw/zinc/26/82/51/650268251.db2.gz	LAOBAWOMHVJWLU-XCBNKYQSSA-N	-1	0	273.741	2.641	20	30		CFEDRM
CC(C)c1ccc(CCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000048480379	650268784	/nfs/dbraw/zinc/26/87/84/650268784.db2.gz	YYEXPKCAFPZSJV-UHFFFAOYSA-N	-1	0	269.366	2.659	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518322	650269046	/nfs/dbraw/zinc/26/90/46/650269046.db2.gz	CKHICZOIBFZRBC-XEEGDWHKSA-N	-1	0	265.334	2.600	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518324	650269479	/nfs/dbraw/zinc/26/94/79/650269479.db2.gz	CKHICZOIBFZRBC-RUSZENMMSA-N	-1	0	265.334	2.600	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518373	650269773	/nfs/dbraw/zinc/26/97/73/650269773.db2.gz	WUTFPRUWBCCNAH-HSTULFTRSA-N	-1	0	285.390	2.695	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519765	650269785	/nfs/dbraw/zinc/26/97/85/650269785.db2.gz	SHCPPRIXYITVFI-IINYFYTJSA-N	-1	0	293.388	2.867	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)cc1	ZINC000048519015	650270064	/nfs/dbraw/zinc/27/00/64/650270064.db2.gz	NHQDZPLFQCHTSL-LLVKDONJSA-N	-1	0	295.360	2.697	20	30		CFEDRM
O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518361	650270091	/nfs/dbraw/zinc/27/00/91/650270091.db2.gz	XNBYOUSEZLUWJD-KJJQSCHISA-N	-1	0	295.360	2.513	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)n(CC)c1C	ZINC000048553099	650271292	/nfs/dbraw/zinc/27/12/92/650271292.db2.gz	MPTCVNUTUPIWMP-UHFFFAOYSA-N	-1	0	286.397	2.559	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C)s1	ZINC000049004159	650285579	/nfs/dbraw/zinc/28/55/79/650285579.db2.gz	PIPZALVXCQMJEA-UHFFFAOYSA-N	-1	0	275.395	2.685	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCC23CC3)c1	ZINC000860445379	636886987	/nfs/dbraw/zinc/88/69/87/636886987.db2.gz	RRGALZSGLDNNNP-LLVKDONJSA-N	-1	0	256.305	2.783	20	30		CFEDRM
O=C(C=Cc1cnc2ccccn12)c1sccc1[O-]	ZINC000187999807	650311738	/nfs/dbraw/zinc/31/17/38/650311738.db2.gz	UCALJLYNTACFRD-SNAWJCMRSA-N	-1	0	270.313	2.998	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OCC3CC3)CCCC2)cc1	ZINC000861825006	637241156	/nfs/dbraw/zinc/24/11/56/637241156.db2.gz	ZHIDOHJKYRQBTR-UHFFFAOYSA-N	-1	0	284.359	2.828	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C/c1ccc(OCC(=O)[O-])cc1	ZINC000119031131	637463146	/nfs/dbraw/zinc/46/31/46/637463146.db2.gz	WIQFVYWLVCQSNC-QPJJXVBHSA-N	-1	0	286.283	2.948	20	30		CFEDRM
CC[C@@H](NN=C1CCc2cc(F)c(Cl)cc21)C(=O)[O-]	ZINC000863114164	637560633	/nfs/dbraw/zinc/56/06/33/637560633.db2.gz	CJTKEYBSIIFQON-LLVKDONJSA-N	-1	0	284.718	2.582	20	30		CFEDRM
Oc1cccc(Br)c1C=NOCC1CC1	ZINC000863115513	637561732	/nfs/dbraw/zinc/56/17/32/637561732.db2.gz	QYNQKCSMDNVGIA-UHFFFAOYSA-N	-1	0	270.126	2.915	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCCO1	ZINC000863118385	637563456	/nfs/dbraw/zinc/56/34/56/637563456.db2.gz	WFIWYTMSBPDJMR-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864161071	637896858	/nfs/dbraw/zinc/89/68/58/637896858.db2.gz	XRXIWUBGDWTABC-VURMDHGXSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864160005	637896973	/nfs/dbraw/zinc/89/69/73/637896973.db2.gz	DVCHORAEOWPGGM-AATRIKPKSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000864178487	637904760	/nfs/dbraw/zinc/90/47/60/637904760.db2.gz	BJFMKNXBWHWDQQ-DVBBHNHCSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000864182554	637906470	/nfs/dbraw/zinc/90/64/70/637906470.db2.gz	AGMZUSDSNVTUGC-JOYOIKCWSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000864182772	637906591	/nfs/dbraw/zinc/90/65/91/637906591.db2.gz	DJWQZYCPJHLGIF-ZDUSSCGKSA-N	-1	0	293.750	2.501	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000864182930	637906792	/nfs/dbraw/zinc/90/67/92/637906792.db2.gz	FVMJRKSWQPNVJK-PSASIEDQSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864184852	637907519	/nfs/dbraw/zinc/90/75/19/637907519.db2.gz	YFTBKKAHOFAODH-GFCCVEGCSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000864186459	637908073	/nfs/dbraw/zinc/90/80/73/637908073.db2.gz	PWZVHJIVMVUFSG-SECBINFHSA-N	-1	0	295.713	2.524	20	30		CFEDRM
CCCCCCCC(=O)NCc1cc(C(=O)[O-])co1	ZINC000864191299	637910525	/nfs/dbraw/zinc/91/05/25/637910525.db2.gz	DBMDVFFIPZMVDV-UHFFFAOYSA-N	-1	0	267.325	2.955	20	30		CFEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1	ZINC000864227958	637918265	/nfs/dbraw/zinc/91/82/65/637918265.db2.gz	JJXCVDXSLCMMBX-CYBMUJFWSA-N	-1	0	261.321	2.593	20	30		CFEDRM
C=C(Cl)C[C@H](NCc1csc(C2CC2)n1)C(=O)[O-]	ZINC000864519373	638009844	/nfs/dbraw/zinc/00/98/44/638009844.db2.gz	MRZFODPDCTZWRE-JTQLQIEISA-N	-1	0	286.784	2.706	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864519306	638010252	/nfs/dbraw/zinc/01/02/52/638010252.db2.gz	KYLGEOJQFJHEQC-CMPLNLGQSA-N	-1	0	296.754	2.643	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)NCCCC(C)(C)C)C(=O)[O-]	ZINC000864525775	638012502	/nfs/dbraw/zinc/01/25/02/638012502.db2.gz	LLWADQIVFKGQGY-SNVBAGLBSA-N	-1	0	290.791	2.708	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)cc(F)c1	ZINC000076761898	650401841	/nfs/dbraw/zinc/40/18/41/650401841.db2.gz	HYFVMJPYACNCHO-UHFFFAOYSA-N	-1	0	273.329	2.569	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1Cc2ccc(Cl)cc21	ZINC000869154502	639050296	/nfs/dbraw/zinc/05/02/96/639050296.db2.gz	UAQZWDMAZIKDSD-QPUJVOFHSA-N	-1	0	251.713	2.602	20	30		CFEDRM
CCCCC[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122934410	639518575	/nfs/dbraw/zinc/51/85/75/639518575.db2.gz	ULZGJDGIRRIAOY-CHWSQXEVSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCC[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123022249	639563400	/nfs/dbraw/zinc/56/34/00/639563400.db2.gz	DQCSBSIHDBVOFM-CHWSQXEVSA-N	-1	0	289.379	2.918	20	30		CFEDRM
C[C@@H]1CCC[C@@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689742	639772481	/nfs/dbraw/zinc/77/24/81/639772481.db2.gz	AURYCSNTINSYIM-IAQYHMDHSA-N	-1	0	258.321	2.795	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2coc(C3CCC3)n2)c1	ZINC000870691141	639773530	/nfs/dbraw/zinc/77/35/30/639773530.db2.gz	DZXKTLXDJBNLIS-UHFFFAOYSA-N	-1	0	283.287	2.538	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000078701054	650524770	/nfs/dbraw/zinc/52/47/70/650524770.db2.gz	BKJBMQGOJBBJPW-UHFFFAOYSA-N	-1	0	283.349	2.697	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCC(C)(C)CC	ZINC000870812307	641085344	/nfs/dbraw/zinc/08/53/44/641085344.db2.gz	IMPDBYGESHKYBZ-UHFFFAOYSA-N	-1	0	275.414	2.615	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)CC1	ZINC000870831222	641091467	/nfs/dbraw/zinc/09/14/67/641091467.db2.gz	RMPJVDQHCKMERZ-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C)CC1	ZINC000870835445	641091866	/nfs/dbraw/zinc/09/18/66/641091866.db2.gz	DBXCAUQVOVZVJY-LLVKDONJSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1	ZINC000870833403	641091880	/nfs/dbraw/zinc/09/18/80/641091880.db2.gz	DMTDDGLEOHEUDV-JOCQHMNTSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1C	ZINC000193369033	650647581	/nfs/dbraw/zinc/64/75/81/650647581.db2.gz	ZAGMJICLAGUVCR-OAHLLOKOSA-N	-1	0	286.375	2.932	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1	ZINC000193370502	650647605	/nfs/dbraw/zinc/64/76/05/650647605.db2.gz	IWOXWBHJEZUIOK-CYBMUJFWSA-N	-1	0	294.301	2.594	20	30		CFEDRM
C#CCc1c(C)nn(-c2cccc(C(=O)[O-])c2C)c1C	ZINC000871961834	641534043	/nfs/dbraw/zinc/53/40/43/641534043.db2.gz	RNNKFKGCKLOBHN-UHFFFAOYSA-N	-1	0	268.316	2.671	20	30		CFEDRM
Cc1nnc(NN=Cc2cccc(CC3CCC3)c2)[n-]c1=O	ZINC000872331678	641758366	/nfs/dbraw/zinc/75/83/66/641758366.db2.gz	RBYSWODNOZZFSE-UHFFFAOYSA-N	-1	0	297.362	2.674	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1sccc1C(F)F)C(=O)[O-]	ZINC000872740561	641917805	/nfs/dbraw/zinc/91/78/05/641917805.db2.gz	KXWSGMDJYYEZNL-QMMMGPOBSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C#CCOc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1	ZINC000872844357	641949988	/nfs/dbraw/zinc/94/99/88/641949988.db2.gz	VTVMCGHGNASPOE-UHFFFAOYSA-N	-1	0	299.326	2.592	20	30		CFEDRM
Cc1csc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1C#N	ZINC000872866260	641953511	/nfs/dbraw/zinc/95/35/11/641953511.db2.gz	DCCVWASPDUWYDA-UHFFFAOYSA-N	-1	0	290.344	2.822	20	30		CFEDRM
C#CCN(C(=O)C[C@@H](C(=O)[O-])c1ccccc1)C1CCCC1	ZINC000872953221	641970993	/nfs/dbraw/zinc/97/09/93/641970993.db2.gz	BNWKRFNFJNDUNU-MRXNPFEDSA-N	-1	0	299.370	2.649	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000873066978	642001739	/nfs/dbraw/zinc/00/17/39/642001739.db2.gz	NRVJLEDNPLSSIO-DTORHVGOSA-N	-1	0	284.237	2.852	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F	ZINC000873564730	642251140	/nfs/dbraw/zinc/25/11/40/642251140.db2.gz	YTZZHRGQCFZPPM-SNVBAGLBSA-N	-1	0	299.367	2.545	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874402229	642379390	/nfs/dbraw/zinc/37/93/90/642379390.db2.gz	KFTRGSCCOBGYLY-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000874420703	642382100	/nfs/dbraw/zinc/38/21/00/642382100.db2.gz	RCPKDEISYGXSDJ-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
CO[C@@H](C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000195491172	650754781	/nfs/dbraw/zinc/75/47/81/650754781.db2.gz	IOZMQPAMFLVSJU-GXFFZTMASA-N	-1	0	298.342	2.793	20	30		CFEDRM
N#Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)s1	ZINC000874969969	642566495	/nfs/dbraw/zinc/56/64/95/642566495.db2.gz	WBFWVJLBXAFZSH-UHFFFAOYSA-N	-1	0	287.296	2.563	20	30		CFEDRM
N#Cc1cc(F)ccc1-c1ccc(OCC(=O)[O-])c(C=O)c1	ZINC000874969706	642566648	/nfs/dbraw/zinc/56/66/48/642566648.db2.gz	SKDPZYWSINJAMK-UHFFFAOYSA-N	-1	0	299.257	2.640	20	30		CFEDRM
N#Cc1ccc(OCC(=O)[O-])cc1-c1ccc(C=O)cc1	ZINC000874970387	642566745	/nfs/dbraw/zinc/56/67/45/642566745.db2.gz	PHUSQTSTTXRQHE-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
N#Cc1c(OCC(=O)[O-])cccc1-c1ccc(C=O)c(F)c1	ZINC000874973744	642570313	/nfs/dbraw/zinc/57/03/13/642570313.db2.gz	VZLMLXJAHFZPJP-UHFFFAOYSA-N	-1	0	299.257	2.640	20	30		CFEDRM
CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875518978	642633912	/nfs/dbraw/zinc/63/39/12/642633912.db2.gz	VCRDLHUOFBVGKZ-NSHDSACASA-N	-1	0	288.244	2.721	20	30		CFEDRM
CC(C)(C)SCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055383	650794573	/nfs/dbraw/zinc/79/45/73/650794573.db2.gz	RGZSTANNZWEMEV-UHFFFAOYSA-N	-1	0	279.427	2.747	20	30		CFEDRM
CCS[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)C(C)C	ZINC000086056224	650795273	/nfs/dbraw/zinc/79/52/73/650795273.db2.gz	GCBGOVKPNKHHFP-LLVKDONJSA-N	-1	0	293.454	2.993	20	30		CFEDRM
CC(C)(C)C=CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055693	650795280	/nfs/dbraw/zinc/79/52/80/650795280.db2.gz	KOUCMJORVOWUFW-CMDGGOBGSA-N	-1	0	259.371	2.818	20	30		CFEDRM
CC(C)[C@H](CNc1nc2ccccc2cc1C#N)C(=O)[O-]	ZINC000087508404	650803781	/nfs/dbraw/zinc/80/37/81/650803781.db2.gz	UGVAFODROOPHJS-ZDUSSCGKSA-N	-1	0	283.331	2.875	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(F)cc2F)c1	ZINC000088401197	650811993	/nfs/dbraw/zinc/81/19/93/650811993.db2.gz	CUSHNFSYTAQTDG-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1	ZINC000088813789	650821648	/nfs/dbraw/zinc/82/16/48/650821648.db2.gz	YKVYVDLSTIXJHI-VXGBXAGGSA-N	-1	0	291.413	2.668	20	30		CFEDRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1	ZINC000088813787	650821814	/nfs/dbraw/zinc/82/18/14/650821814.db2.gz	YKVYVDLSTIXJHI-RYUDHWBXSA-N	-1	0	291.413	2.668	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000089969917	650861342	/nfs/dbraw/zinc/86/13/42/650861342.db2.gz	ZYUNEYQITFRTBH-BAQGIRSFSA-N	-1	0	298.751	2.823	20	30		CFEDRM
C#CC1(NC(=O)c2ccc([O-])c(Cl)c2)CCCC1	ZINC000882537476	645359223	/nfs/dbraw/zinc/35/92/23/645359223.db2.gz	KELOQQZHZHIYID-UHFFFAOYSA-N	-1	0	263.724	2.721	20	30		CFEDRM
CC(C)Oc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000134081122	646279200	/nfs/dbraw/zinc/27/92/00/646279200.db2.gz	ZSKBGSWTQDRRJQ-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
CO[C@@H]1CCCC(=NNc2cnnc([O-])c2Cl)CC1	ZINC000884408019	646343951	/nfs/dbraw/zinc/34/39/51/646343951.db2.gz	UKQNPKLFXACPKW-SECBINFHSA-N	-1	0	284.747	2.583	20	30		CFEDRM
[O-]c1ccc(C=NO[C@H]2CCCCO2)c(F)c1F	ZINC000884442719	646360799	/nfs/dbraw/zinc/36/07/99/646360799.db2.gz	OIGXXZJIYZEFKM-JTQLQIEISA-N	-1	0	257.236	2.548	20	30		CFEDRM
C=CC(C)(C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000884649105	646507614	/nfs/dbraw/zinc/50/76/14/646507614.db2.gz	SRVIDQPKXHFWIN-UHFFFAOYSA-N	-1	0	279.292	2.946	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887310979	647265932	/nfs/dbraw/zinc/26/59/32/647265932.db2.gz	VKHZFVPTDFFUDJ-RQJABVFESA-N	-1	0	291.391	2.618	20	30		CFEDRM
CC(C)(CC(=O)Nc1ccc(C2CC2)c(C#N)c1)C(=O)[O-]	ZINC000887316779	647267744	/nfs/dbraw/zinc/26/77/44/647267744.db2.gz	ZLLXVEDKSJRNSY-UHFFFAOYSA-N	-1	0	286.331	2.875	20	30		CFEDRM
C=C1CCC(C(=O)NCC(CC)(CC)C(=O)[O-])CC1	ZINC000887324998	647271663	/nfs/dbraw/zinc/27/16/63/647271663.db2.gz	BPIBRRYOOORNHA-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)OC1CCCCC1)C(=O)[O-]	ZINC000926569034	648537021	/nfs/dbraw/zinc/53/70/21/648537021.db2.gz	WXYOJBVMEPBAED-JTQLQIEISA-N	-1	0	275.732	2.641	20	30		CFEDRM
N#C[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000928224120	648877849	/nfs/dbraw/zinc/87/78/49/648877849.db2.gz	UFJAWHOTWJTVKP-QMMMGPOBSA-N	-1	0	282.702	2.560	20	30		CFEDRM
N#CC1(NC(=O)c2cc(Cl)cc(Cl)c2[O-])CCC1	ZINC000930794811	649326770	/nfs/dbraw/zinc/32/67/70/649326770.db2.gz	OWQWJBYMFKWWOH-UHFFFAOYSA-N	-1	0	285.130	2.875	20	30		CFEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243512541	782247678	/nfs/dbraw/zinc/24/76/78/782247678.db2.gz	VJGHFYBSPPEXLV-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)nc1C#N	ZINC001243511952	782248265	/nfs/dbraw/zinc/24/82/65/782248265.db2.gz	KGXXXRLMGSJKBJ-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243513785	782249396	/nfs/dbraw/zinc/24/93/96/782249396.db2.gz	GNEJLDVYMKOIFU-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
N#Cc1cc(-c2cccc([O-])c2F)nc(C2CC2)n1	ZINC001243546147	782269799	/nfs/dbraw/zinc/26/97/99/782269799.db2.gz	KXNBDTIZSVGHPA-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229241513	776762479	/nfs/dbraw/zinc/76/24/79/776762479.db2.gz	IGNKKMVTVAYYBL-SNVBAGLBSA-N	-1	0	272.304	2.854	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000382349143	770398197	/nfs/dbraw/zinc/39/81/97/770398197.db2.gz	IZVGNFYIKSLPAZ-SECBINFHSA-N	-1	0	283.290	2.869	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000588477722	770801875	/nfs/dbraw/zinc/80/18/75/770801875.db2.gz	QKHJGYIFMQPCPW-XPSMFNQNSA-N	-1	0	293.388	2.706	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1	ZINC000724456731	770888008	/nfs/dbraw/zinc/88/80/08/770888008.db2.gz	LFNHZHGLRDEEOT-KBPBESRZSA-N	-1	0	277.364	2.516	20	30		CFEDRM
C=C[C@H](CCCCCC)OCC[P@@](=O)([O-])O	ZINC001224602428	775224103	/nfs/dbraw/zinc/22/41/03/775224103.db2.gz	RAOQRVWSJULFHV-LLVKDONJSA-N	-1	0	250.275	2.706	20	30		CFEDRM
C=CCOc1ccccc1[C@H](C)OCC[P@@](=O)([O-])O	ZINC001224603401	775224877	/nfs/dbraw/zinc/22/48/77/775224877.db2.gz	XZEBPIMKHNPIIN-NSHDSACASA-N	-1	0	286.264	2.507	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cccc(C#N)n1	ZINC001211616204	775251143	/nfs/dbraw/zinc/25/11/43/775251143.db2.gz	BBQKSMRKFWWFPS-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C=CC[C@@H](OCCCS(=O)(=O)[O-])c1ccccc1	ZINC001224898182	775303074	/nfs/dbraw/zinc/30/30/74/775303074.db2.gz	JOQAGWZZIJSYGX-CYBMUJFWSA-N	-1	0	270.350	2.598	20	30		CFEDRM
C[Si](C)(C)C#C[C@H](OCC(=O)[O-])c1ccccc1	ZINC001225022169	775338821	/nfs/dbraw/zinc/33/88/21/775338821.db2.gz	MLNPPXLNFSAEMB-ZDUSSCGKSA-N	-1	0	262.381	2.710	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@H](C)c2ccncc2F)[nH]1	ZINC001225470345	775469143	/nfs/dbraw/zinc/46/91/43/775469143.db2.gz	VQTCTIPMOABMEQ-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1C#N	ZINC001225562901	775502028	/nfs/dbraw/zinc/50/20/28/775502028.db2.gz	NULDMXQUDGFFHL-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225562878	775502310	/nfs/dbraw/zinc/50/23/10/775502310.db2.gz	NLSKSTUXKMQCAP-LURJTMIESA-N	-1	0	262.762	2.701	20	30		CFEDRM
N#C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001225623692	775530843	/nfs/dbraw/zinc/53/08/43/775530843.db2.gz	QFPOGRAAXYSUGO-ZDUSSCGKSA-N	-1	0	270.244	2.944	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCc2ccccc21	ZINC001226007880	775666457	/nfs/dbraw/zinc/66/64/57/775666457.db2.gz	BAKVLRUXTYCZPQ-CYBMUJFWSA-N	-1	0	270.263	2.864	20	30		CFEDRM
N#Cc1c(OC2CCCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226064562	775685732	/nfs/dbraw/zinc/68/57/32/775685732.db2.gz	NKEDIWSOGAPNDF-UHFFFAOYSA-N	-1	0	272.226	2.999	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C)cc(=O)[n-]2)O1	ZINC001226155888	775718854	/nfs/dbraw/zinc/71/88/54/775718854.db2.gz	HNLSFSSBZCNHIM-ABAIWWIYSA-N	-1	0	278.352	2.772	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)COCc2ccccc2)c1C#N	ZINC001226222353	775740769	/nfs/dbraw/zinc/74/07/69/775740769.db2.gz	YPZYIVKKLJQDGO-ZDUSSCGKSA-N	-1	0	298.342	2.951	20	30		CFEDRM
COc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cn1	ZINC001226221611	775740794	/nfs/dbraw/zinc/74/07/94/775740794.db2.gz	NWPUSVAHIWQKLT-JTQLQIEISA-N	-1	0	285.303	2.511	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)C#C[Si](C)(C)C)c1C#N	ZINC001226224060	775743133	/nfs/dbraw/zinc/74/31/33/775743133.db2.gz	ZMSUZMROYWIYDC-LLVKDONJSA-N	-1	0	274.396	2.615	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226410091	775810640	/nfs/dbraw/zinc/81/06/40/775810640.db2.gz	ZCPXXZVVEPTFEH-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
CCC#C[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531531	775862799	/nfs/dbraw/zinc/86/27/99/775862799.db2.gz	CBJWVRRZZBNEKO-NSHDSACASA-N	-1	0	272.300	2.988	20	30		CFEDRM
C#C[C@H](Oc1cc2c(C)cc(=O)oc2cc1O)C(C)C	ZINC001226531671	775862992	/nfs/dbraw/zinc/86/29/92/775862992.db2.gz	DJVGYFONZXYHGX-ZDUSSCGKSA-N	-1	0	272.300	2.844	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226718710	775936334	/nfs/dbraw/zinc/93/63/34/775936334.db2.gz	BHMNATCMFVGFPD-SECBINFHSA-N	-1	0	299.168	2.906	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784808	775964032	/nfs/dbraw/zinc/96/40/32/775964032.db2.gz	JIEYJDPWLKVKMW-SECBINFHSA-N	-1	0	288.376	2.625	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784121	775964166	/nfs/dbraw/zinc/96/41/66/775964166.db2.gz	DPIAAYLWABSSTQ-QMMMGPOBSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[nH]c(=O)ncc1OC	ZINC001226822127	775977858	/nfs/dbraw/zinc/97/78/58/775977858.db2.gz	JSIHTZUVNXZYJL-JTQLQIEISA-N	-1	0	252.314	2.705	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226990219	776051753	/nfs/dbraw/zinc/05/17/53/776051753.db2.gz	SHWNKTDSEGMOHL-SNVBAGLBSA-N	-1	0	274.324	2.639	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2ccc(C)cc21)C(C)C	ZINC001227348012	776182000	/nfs/dbraw/zinc/18/20/00/776182000.db2.gz	SWBZJIPPOKVFBE-CYBMUJFWSA-N	-1	0	256.305	2.680	20	30		CFEDRM
C#CC[C@@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605855	776235659	/nfs/dbraw/zinc/23/56/59/776235659.db2.gz	PWZHPJFHVWVHGU-ZCFIWIBFSA-N	-1	0	261.108	2.670	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[n-]c(=S)nnc1C)C(=C)C	ZINC001227600548	776238720	/nfs/dbraw/zinc/23/87/20/776238720.db2.gz	FHRDNFQYIFNAOM-SNVBAGLBSA-N	-1	0	251.355	2.758	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=S)nnc2C)O1	ZINC001227598169	776238817	/nfs/dbraw/zinc/23/88/17/776238817.db2.gz	GTVHFXLHYAAQQE-QMTHXVAHSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C#C[C@@H](C)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl	ZINC001227634380	776247893	/nfs/dbraw/zinc/24/78/93/776247893.db2.gz	SOJQSXQWGCXPBZ-ZCFIWIBFSA-N	-1	0	295.143	2.641	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227686069	776256228	/nfs/dbraw/zinc/25/62/28/776256228.db2.gz	FORADAZWXSXELD-JTQLQIEISA-N	-1	0	264.325	2.726	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(=O)[n-]c2c1COC2	ZINC001227686686	776257629	/nfs/dbraw/zinc/25/76/29/776257629.db2.gz	UWWPHURYZOJURZ-MJVIPROJSA-N	-1	0	290.363	2.972	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1C#N	ZINC001227808332	776298087	/nfs/dbraw/zinc/29/80/87/776298087.db2.gz	IDCXVMXMWUNHQO-VIFPVBQESA-N	-1	0	280.287	2.675	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000125569204	776355475	/nfs/dbraw/zinc/35/54/75/776355475.db2.gz	VXRISANNRXUCOL-AWEZNQCLSA-N	-1	0	272.348	2.706	20	30		CFEDRM
O=C(c1ccccc1)c1ccc(O)cc1O[C@H]1C=CC(=O)C1	ZINC001228186327	776417569	/nfs/dbraw/zinc/41/75/69/776417569.db2.gz	PZTVQWYPHIHFNR-HNNXBMFYSA-N	-1	0	294.306	2.900	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1occc1C	ZINC000125694880	776430877	/nfs/dbraw/zinc/43/08/77/776430877.db2.gz	ATTHYVNVPXQUIP-LBPRGKRZSA-N	-1	0	276.336	2.607	20	30		CFEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228672308	776562614	/nfs/dbraw/zinc/56/26/14/776562614.db2.gz	AGQSPSUQWIGUFO-NSHDSACASA-N	-1	0	290.367	2.973	20	30		CFEDRM
C[C@@H](Oc1c(C#N)cccc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001228774032	776606444	/nfs/dbraw/zinc/60/64/44/776606444.db2.gz	OQPILRAKSNJVOB-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
CCc1oc(C)c([O-])c1Oc1cc2c(cc1[O-])CCC2=O	ZINC001228854767	776635389	/nfs/dbraw/zinc/63/53/89/776635389.db2.gz	VZOJRIMRUZCHNC-QMMMGPOBSA-N	-1	0	288.299	2.509	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCC(=O)c2ccccc21	ZINC001228898785	776649479	/nfs/dbraw/zinc/64/94/79/776649479.db2.gz	LPIRPWRONAZOAC-CQSZACIVSA-N	-1	0	280.283	2.755	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1OC(C(F)(F)F)C(F)(F)F	ZINC001228899394	776650155	/nfs/dbraw/zinc/65/01/55/776650155.db2.gz	WQTGDARXURMWGB-UHFFFAOYSA-N	-1	0	286.131	2.531	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2ccccc2C1	ZINC001228902116	776651145	/nfs/dbraw/zinc/65/11/45/776651145.db2.gz	QAGRKEUADCLHIG-AWEZNQCLSA-N	-1	0	266.300	2.595	20	30		CFEDRM
C[C@H](COCc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901603	776651249	/nfs/dbraw/zinc/65/12/49/776651249.db2.gz	NBFXLPBEGXYILA-GFCCVEGCSA-N	-1	0	284.315	2.643	20	30		CFEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)cn1	ZINC001228901574	776651402	/nfs/dbraw/zinc/65/14/02/776651402.db2.gz	MXSVLJMOBWZCFB-JTQLQIEISA-N	-1	0	255.277	2.502	20	30		CFEDRM
C=C[C@@H](CCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228969719	776672855	/nfs/dbraw/zinc/67/28/55/776672855.db2.gz	ASELQEBFMMVXKD-VIFPVBQESA-N	-1	0	253.254	2.740	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229408858	776804299	/nfs/dbraw/zinc/80/42/99/776804299.db2.gz	YXCSKNIIZOVUFI-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C[C@@H](CCCCCCC)Oc1ncnc(=O)[n-]1	ZINC001229608590	776855834	/nfs/dbraw/zinc/85/58/34/776855834.db2.gz	CEKAMRQSGPIYGO-NSHDSACASA-N	-1	0	251.330	2.871	20	30		CFEDRM
C/C(=N\O)c1ccccc1OC1CCC2(CC1)OCCO2	ZINC001229741636	776884805	/nfs/dbraw/zinc/88/48/05/776884805.db2.gz	RGXMONYWWFZHKY-SFQUDFHCSA-N	-1	0	291.347	2.949	20	30		CFEDRM
C=CC[C@H](Oc1ccccc1-c1nn[nH]n1)C(C)C	ZINC001229952209	776922661	/nfs/dbraw/zinc/92/26/61/776922661.db2.gz	ZSHJGUJINAHTIA-LBPRGKRZSA-N	-1	0	258.325	2.846	20	30		CFEDRM
C=C[C@@H](Oc1nc(Cl)nc(=O)[n-]1)c1ccccc1	ZINC001230240624	776963656	/nfs/dbraw/zinc/96/36/56/776963656.db2.gz	NIUWZWHYOXVIPI-SECBINFHSA-N	-1	0	263.684	2.537	20	30		CFEDRM
C=CC[C@H](Oc1ncc(C(=O)OC)[n-]1)c1ccccc1	ZINC001230281714	776971188	/nfs/dbraw/zinc/97/11/88/776971188.db2.gz	FEPIUMUCHNBRHV-ZDUSSCGKSA-N	-1	0	272.304	2.893	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230854018	777076376	/nfs/dbraw/zinc/07/63/76/777076376.db2.gz	PWUDKUJBKIDSHH-VIFPVBQESA-N	-1	0	260.293	2.687	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cc(F)ccc21)C(C)C	ZINC001230883774	777082103	/nfs/dbraw/zinc/08/21/03/777082103.db2.gz	MKHPNXZQZCTCCB-GFCCVEGCSA-N	-1	0	260.268	2.511	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889219	777083683	/nfs/dbraw/zinc/08/36/83/777083683.db2.gz	SRNJZTFYCREWKN-FZMZJTMJSA-N	-1	0	268.316	2.825	20	30		CFEDRM
CC(C)Oc1c(C#N)c(C#N)c([O-])c2cccc([N+](=O)[O-])c21	ZINC001231230715	777175656	/nfs/dbraw/zinc/17/56/56/777175656.db2.gz	MZALZMWHHFVTEK-UHFFFAOYSA-N	-1	0	297.270	2.984	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347455	777197693	/nfs/dbraw/zinc/19/76/93/777197693.db2.gz	LPSQNIPNWUAMSG-SNVBAGLBSA-N	-1	0	272.304	2.854	20	30		CFEDRM
CCCCCCCC[C@@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226604311	777584761	/nfs/dbraw/zinc/58/47/61/777584761.db2.gz	CUCYIJJJRZZYDV-SNVBAGLBSA-N	-1	0	254.326	2.506	20	30		CFEDRM
CCC#C[C@@H](C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835037	778091308	/nfs/dbraw/zinc/09/13/08/778091308.db2.gz	UUSGEMQUNSKWSF-SNVBAGLBSA-N	-1	0	258.273	2.679	20	30		CFEDRM
CO[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513027	778240891	/nfs/dbraw/zinc/24/08/91/778240891.db2.gz	HQMYLHORJIDSMD-STQMWFEESA-N	-1	0	299.330	2.543	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530964	778246197	/nfs/dbraw/zinc/24/61/97/778246197.db2.gz	POXMSXQNCFOJTC-LBPRGKRZSA-N	-1	0	281.315	2.634	20	30		CFEDRM
C#CC[C@@H](C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815606	778299958	/nfs/dbraw/zinc/29/99/58/778299958.db2.gz	XOLMZQVCEGBBEY-SECBINFHSA-N	-1	0	258.273	2.598	20	30		CFEDRM
COc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001235077571	778372416	/nfs/dbraw/zinc/37/24/16/778372416.db2.gz	LBHRQYFKKWVUSS-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
Cc1nnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1C	ZINC001235078778	778373167	/nfs/dbraw/zinc/37/31/67/778373167.db2.gz	RPNKAGMVWWFHHI-VMPITWQZSA-N	-1	0	279.299	2.730	20	30		CFEDRM
C=C(Cl)CNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000160951207	778620289	/nfs/dbraw/zinc/62/02/89/778620289.db2.gz	DAUHFIIZWRKZKA-UHFFFAOYSA-N	-1	0	273.760	2.670	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000129063958	778666394	/nfs/dbraw/zinc/66/63/94/778666394.db2.gz	YIZCQXJFPWOKQI-VIFPVBQESA-N	-1	0	297.141	2.594	20	30		CFEDRM
COc1ccc(CN(CCC#N)CCC#N)c([O-])c1Cl	ZINC001236808439	778949414	/nfs/dbraw/zinc/94/94/14/778949414.db2.gz	ZNSLZALCWWNTPG-UHFFFAOYSA-N	-1	0	293.754	2.684	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000176518126	779214026	/nfs/dbraw/zinc/21/40/26/779214026.db2.gz	OLEXHMFHGVOQTI-UHFFFAOYSA-N	-1	0	287.768	2.501	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1cccc(F)n1	ZINC001122656899	779282593	/nfs/dbraw/zinc/28/25/93/779282593.db2.gz	CTNNVUMFFZGIDT-VIFPVBQESA-N	-1	0	271.251	2.576	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239247476	779483974	/nfs/dbraw/zinc/48/39/74/779483974.db2.gz	VZGWRXWFIYICJQ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2F)ccn1	ZINC001239262564	779490707	/nfs/dbraw/zinc/49/07/07/779490707.db2.gz	YWGIRQJLQRRMOA-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239337564	779528702	/nfs/dbraw/zinc/52/87/02/779528702.db2.gz	VGCSGZODZJDFBV-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
CC(C)O[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C1(C)C	ZINC000764908017	779863826	/nfs/dbraw/zinc/86/38/26/779863826.db2.gz	SAUUTENWPACMAD-LBPRGKRZSA-N	-1	0	291.351	2.771	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1nccc2ccccc21	ZINC001168626869	780120192	/nfs/dbraw/zinc/12/01/92/780120192.db2.gz	HFPSLQOCSYPBQN-UHFFFAOYSA-N	-1	0	288.372	2.951	20	30		CFEDRM
N#Cc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240548381	780242651	/nfs/dbraw/zinc/24/26/51/780242651.db2.gz	QEWJSQPQVCXFBO-SNAWJCMRSA-N	-1	0	250.257	2.718	20	30		CFEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cn1	ZINC001240549447	780244362	/nfs/dbraw/zinc/24/43/62/780244362.db2.gz	JFOSZLONSRMNIJ-QPJJXVBHSA-N	-1	0	264.284	2.912	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cc(F)ccc2[O-])n1	ZINC001240693724	780364795	/nfs/dbraw/zinc/36/47/95/780364795.db2.gz	XCJVWRAMSHWHLQ-UHFFFAOYSA-N	-1	0	261.281	2.582	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ncc(C)cc1/C=N/O	ZINC001240733472	780401069	/nfs/dbraw/zinc/40/10/69/780401069.db2.gz	DLXUIEBQLBTYPE-CAOOACKPSA-N	-1	0	286.287	2.572	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001240737123	780403845	/nfs/dbraw/zinc/40/38/45/780403845.db2.gz	RCQXXYURQFHUEC-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cccc(-c2ccc(C(=O)[O-])cc2OC)c1C#N	ZINC001240737776	780404151	/nfs/dbraw/zinc/40/41/51/780404151.db2.gz	METCEUJIZVZCJZ-UHFFFAOYSA-N	-1	0	283.283	2.941	20	30		CFEDRM
COc1cc(-c2ccc(CC#N)cn2)ccc1C(=O)[O-]	ZINC001240739818	780406662	/nfs/dbraw/zinc/40/66/62/780406662.db2.gz	DYBBBMCPMCATSD-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2ccnc(C)c2C#N)ccc1C(=O)[O-]	ZINC001240747836	780411051	/nfs/dbraw/zinc/41/10/51/780411051.db2.gz	WFSSYBJPEHSXCX-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C(=O)[O-])s2)n1	ZINC001240843340	780470023	/nfs/dbraw/zinc/47/00/23/780470023.db2.gz	RWJCJGNICFAHFN-UHFFFAOYSA-N	-1	0	291.357	2.805	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])s3)c1-2	ZINC001240843525	780470439	/nfs/dbraw/zinc/47/04/39/780470439.db2.gz	HKOLRJJDBWOMGS-UHFFFAOYSA-N	-1	0	269.285	2.861	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])s2)c1	ZINC001240849533	780475980	/nfs/dbraw/zinc/47/59/80/780475980.db2.gz	PMSNPVPCUQDZOC-UHFFFAOYSA-N	-1	0	262.265	2.713	20	30		CFEDRM
O=C([O-])Cc1ccc(-c2cc(/C=N/O)ccc2F)cc1	ZINC001240975780	780564723	/nfs/dbraw/zinc/56/47/23/780564723.db2.gz	HOVXWBFAXZGUNA-RQZCQDPDSA-N	-1	0	273.263	2.928	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nnc(C)c(C)c1C#N	ZINC001240999871	780583571	/nfs/dbraw/zinc/58/35/71/780583571.db2.gz	XQORVDAIUSRHRB-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
CCOC(=O)c1cc(C)nc(-c2ccccc2[O-])c1C#N	ZINC001241001612	780585961	/nfs/dbraw/zinc/58/59/61/780585961.db2.gz	BMCFKNKHVKVEGQ-UHFFFAOYSA-N	-1	0	282.299	2.811	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(CC#N)cnc1F	ZINC001241003255	780586976	/nfs/dbraw/zinc/58/69/76/780586976.db2.gz	MDEMRARVMZNAOY-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
COc1cnc(-c2c(F)cc([O-])cc2F)c(C#N)c1	ZINC001241117621	780646148	/nfs/dbraw/zinc/64/61/48/780646148.db2.gz	SSAZBJCCEZKWFX-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241184760	780688860	/nfs/dbraw/zinc/68/88/60/780688860.db2.gz	CVIUOBXDBQPIHL-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])c(F)c1)CCC2	ZINC001241184378	780689038	/nfs/dbraw/zinc/68/90/38/780689038.db2.gz	FVFHAQKZTFOCPY-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245213	780729838	/nfs/dbraw/zinc/72/98/38/780729838.db2.gz	IVKPXQFPZMQUCI-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cncc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241245576	780730009	/nfs/dbraw/zinc/73/00/09/780730009.db2.gz	GQABLCVAAHCDIA-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
C#C[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)(C)C	ZINC000702229607	780901540	/nfs/dbraw/zinc/90/15/40/780901540.db2.gz	VOEUVCXYYZOWFW-QMMMGPOBSA-N	-1	0	291.825	2.728	20	30		CFEDRM
CCCCCCCNC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000703724632	781052474	/nfs/dbraw/zinc/05/24/74/781052474.db2.gz	WZJXPZUMWVIVRT-LBPRGKRZSA-N	-1	0	272.389	2.613	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000703732288	781053258	/nfs/dbraw/zinc/05/32/58/781053258.db2.gz	BNLLUEZZICUZBN-VXGBXAGGSA-N	-1	0	255.358	2.574	20	30		CFEDRM
COc1ccc(-c2nc(C#N)ccc2C)cc1C(=O)[O-]	ZINC001241855162	781154958	/nfs/dbraw/zinc/15/49/58/781154958.db2.gz	OWGWNRWGLUVIFO-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC(C)[C@H](C#N)c1ccc(-c2cnn(CC(=O)[O-])c2)cc1	ZINC001242184827	781317338	/nfs/dbraw/zinc/31/73/38/781317338.db2.gz	CEDCQAVGTTVXTI-HNNXBMFYSA-N	-1	0	283.331	2.898	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc(C(C)(C)C)cs1	ZINC000710090359	781327516	/nfs/dbraw/zinc/32/75/16/781327516.db2.gz	NNLMHFOESUHCPS-UHFFFAOYSA-N	-1	0	286.422	2.596	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(CC(=O)[O-])c1)CCC2	ZINC001242262936	781347883	/nfs/dbraw/zinc/34/78/83/781347883.db2.gz	WRUPQHAHLKCLGO-UHFFFAOYSA-N	-1	0	278.311	2.736	20	30		CFEDRM
COC(=O)c1cc(-c2cccc(CC(=O)[O-])c2)ccc1C#N	ZINC001242265186	781350322	/nfs/dbraw/zinc/35/03/22/781350322.db2.gz	TVFKELCVEHJHPU-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242378778	781447833	/nfs/dbraw/zinc/44/78/33/781447833.db2.gz	KVFYIFNLUIJMHY-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc(C(=O)[O-])c1F	ZINC001242380261	781449611	/nfs/dbraw/zinc/44/96/11/781449611.db2.gz	GYODOCJGTCMFGY-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(C)n1	ZINC001242387738	781456909	/nfs/dbraw/zinc/45/69/09/781456909.db2.gz	DUKWEXSVKINVIM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1cc(-c2nccc(-c3ccco3)n2)ccc1[O-]	ZINC001242562962	781601672	/nfs/dbraw/zinc/60/16/72/781601672.db2.gz	PKHLIRXUBMVNEI-UHFFFAOYSA-N	-1	0	263.256	2.981	20	30		CFEDRM
COc1nc(-c2ccc([O-])c(C#N)c2)nc2ccsc21	ZINC001242563428	781602494	/nfs/dbraw/zinc/60/24/94/781602494.db2.gz	XWWOQUDYEVTAIU-UHFFFAOYSA-N	-1	0	283.312	2.944	20	30		CFEDRM
Cc1cc(-c2cccc(S(=O)(=O)[O-])c2)ccc1C#N	ZINC001242767552	781751953	/nfs/dbraw/zinc/75/19/53/781751953.db2.gz	BVEZMTJBPJWCCE-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
N#Cc1nc(-c2cccc([O-])c2Cl)cc2nc[nH]c21	ZINC001242798370	781764573	/nfs/dbraw/zinc/76/45/73/781764573.db2.gz	UPRWKBYWSMVRNY-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccccc3C(=O)[O-])c12	ZINC001242877722	781816287	/nfs/dbraw/zinc/81/62/87/781816287.db2.gz	LDBZJEMJLBGFBM-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccccc1C(=O)[O-])CCC2	ZINC001242878129	781817589	/nfs/dbraw/zinc/81/75/89/781817589.db2.gz	CRACTZOLDWYTIH-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
COC(=O)c1ccc(-c2ccccc2C(=O)[O-])c(C#N)c1	ZINC001242878848	781818013	/nfs/dbraw/zinc/81/80/13/781818013.db2.gz	QPUFAWFSSALLOV-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C)cc(C)c1C#N	ZINC001242920951	781842303	/nfs/dbraw/zinc/84/23/03/781842303.db2.gz	KQPFZNFHKPKOOF-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1nc[n-]c(=O)c1Cl	ZINC001230015737	781842529	/nfs/dbraw/zinc/84/25/29/781842529.db2.gz	BAAROGYRRCWTEX-VIFPVBQESA-N	-1	0	266.728	2.819	20	30		CFEDRM
CC(C)CCOc1ccc(=NCc2ccc(C#N)cc2)[n-]n1	ZINC000594737290	349484889	/nfs/dbraw/zinc/48/48/89/349484889.db2.gz	XIGHHJRFGBTANP-UHFFFAOYSA-N	-1	0	296.374	2.807	20	30		CFEDRM
CCCc1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000594733710	349483187	/nfs/dbraw/zinc/48/31/87/349483187.db2.gz	CJMWCIPVGRTMKN-UHFFFAOYSA-N	-1	0	282.347	2.611	20	30		CFEDRM
N#CC1(c2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)CC1	ZINC000594733677	349483312	/nfs/dbraw/zinc/48/33/12/349483312.db2.gz	BHRZSYIDINYZEJ-UHFFFAOYSA-N	-1	0	280.331	2.536	20	30		CFEDRM
CC(C)Cc1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000594735542	349484198	/nfs/dbraw/zinc/48/41/98/349484198.db2.gz	SZHCEXGBCMNTEP-UHFFFAOYSA-N	-1	0	296.374	2.857	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccs1	ZINC000124588282	187145060	/nfs/dbraw/zinc/14/50/60/187145060.db2.gz	KMWVBVDTQOGTTQ-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
CCC(CC)(CNc1nc2ncccc2cc1C#N)C(=O)[O-]	ZINC000595969945	349772804	/nfs/dbraw/zinc/77/28/04/349772804.db2.gz	RFEHLRYZZODXNK-UHFFFAOYSA-N	-1	0	298.346	2.804	20	30		CFEDRM
C[C@H](CN(C)c1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595967685	349773144	/nfs/dbraw/zinc/77/31/44/349773144.db2.gz	AZSAMABMSRQXEP-MRVPVSSYSA-N	-1	0	268.263	2.653	20	30		CFEDRM
N#Cc1cnc(NC[C@H](C(=O)[O-])C2CCC2)c(Cl)c1	ZINC000595978510	349773571	/nfs/dbraw/zinc/77/35/71/349773571.db2.gz	WUMQRLDGRNXQAC-JTQLQIEISA-N	-1	0	279.727	2.519	20	30		CFEDRM
CCCC[C@@H](COC)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596128941	349801442	/nfs/dbraw/zinc/80/14/42/349801442.db2.gz	AHWYPKAZMTUHLR-QMMMGPOBSA-N	-1	0	273.789	2.707	20	30		CFEDRM
CO[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C(C)(C)C	ZINC000596144421	349807437	/nfs/dbraw/zinc/80/74/37/349807437.db2.gz	FXHCISJXGGYWOG-MRVPVSSYSA-N	-1	0	273.789	2.563	20	30		CFEDRM
CC[C@H](N=c1[n-]c(C#N)c(Cl)s1)[C@@H]1CCCCO1	ZINC000596296990	349855750	/nfs/dbraw/zinc/85/57/50/349855750.db2.gz	ORNUQUTXDRKQRS-WPRPVWTQSA-N	-1	0	285.800	2.850	20	30		CFEDRM
CC(C)Cc1nc(=NCCc2ccc(C#N)cc2)s[n-]1	ZINC000596320523	349862740	/nfs/dbraw/zinc/86/27/40/349862740.db2.gz	ATEBTUGSXUZWED-UHFFFAOYSA-N	-1	0	286.404	2.685	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2c(C)nsc2C)s1	ZINC000573623212	334952814	/nfs/dbraw/zinc/95/28/14/334952814.db2.gz	DPAJBLGOKJLSDO-UHFFFAOYSA-N	-1	0	298.462	2.924	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-]	ZINC000668288137	539411332	/nfs/dbraw/zinc/41/13/32/539411332.db2.gz	RUDQKOXEDZEKBJ-HNNXBMFYSA-N	-1	0	287.359	2.642	20	30		CFEDRM
CO[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C1CCCC1	ZINC000596526744	349930468	/nfs/dbraw/zinc/93/04/68/349930468.db2.gz	GJUXYBBANTUPBT-SNVBAGLBSA-N	-1	0	285.800	2.707	20	30		CFEDRM
COCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000097261765	185573752	/nfs/dbraw/zinc/57/37/52/185573752.db2.gz	CVLWFBOTMDCMDB-JTQLQIEISA-N	-1	0	276.317	2.681	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1C	ZINC000041543000	346352650	/nfs/dbraw/zinc/35/26/50/346352650.db2.gz	MEPDMKLKAOPFTD-LLVKDONJSA-N	-1	0	279.299	2.965	20	30		CFEDRM
CC(C)(C(=O)[N-]S(C)(=O)=O)c1ccc(Cl)cc1	ZINC000054425244	346569402	/nfs/dbraw/zinc/56/94/02/346569402.db2.gz	QORPJTLQNRWURL-UHFFFAOYSA-N	-1	0	275.757	2.534	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C=CC1CC1	ZINC000076756478	347152143	/nfs/dbraw/zinc/15/21/43/347152143.db2.gz	DBHNATXRLLLDMI-CMDGGOBGSA-N	-1	0	265.334	2.606	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl	ZINC000097066516	347706073	/nfs/dbraw/zinc/70/60/73/347706073.db2.gz	MMPKCDZEANZOJQ-SCZZXKLOSA-N	-1	0	264.712	2.877	20	30		CFEDRM
N#Cc1cc(Br)ccc1NCCCCC(=O)[O-]	ZINC000229157415	348199241	/nfs/dbraw/zinc/19/92/41/348199241.db2.gz	FSUDTLFHHCFCGW-UHFFFAOYSA-N	-1	0	297.152	2.988	20	30		CFEDRM
N#CC[C@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000397585692	348562400	/nfs/dbraw/zinc/56/24/00/348562400.db2.gz	HDGXXWHNZWVUOY-MRVPVSSYSA-N	-1	0	298.264	2.575	20	30		CFEDRM
N#CCCCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000588676334	348791987	/nfs/dbraw/zinc/79/19/87/348791987.db2.gz	FUCZNXCEMNLITG-UHFFFAOYSA-N	-1	0	277.280	2.713	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cccc(Cl)c2[O-])n1	ZINC000589413568	348831229	/nfs/dbraw/zinc/83/12/29/348831229.db2.gz	AWPWJZAIDMEAOS-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000126606714	539683863	/nfs/dbraw/zinc/68/38/63/539683863.db2.gz	XDBSDJQBRQBWSR-SNVBAGLBSA-N	-1	0	288.376	2.973	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2c(Cl)cccc2C#N)CC1	ZINC000592418856	349117583	/nfs/dbraw/zinc/11/75/83/349117583.db2.gz	ASDSFMBMDAMTDS-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C[C@H](CC#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000597651849	350120188	/nfs/dbraw/zinc/12/01/88/350120188.db2.gz	NSZXJIBCUKQLBW-ZCFIWIBFSA-N	-1	0	256.664	2.673	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000398111259	539761662	/nfs/dbraw/zinc/76/16/62/539761662.db2.gz	YPXGBIWIWWLTST-LBPRGKRZSA-N	-1	0	290.363	2.929	20	30		CFEDRM
N#CCC1CN(C(=O)c2cc3ccccc3cc2O)C1	ZINC000598033770	350180026	/nfs/dbraw/zinc/18/00/26/350180026.db2.gz	SHTUTEMWCSIRSQ-UHFFFAOYSA-N	-1	0	266.300	2.531	20	30		CFEDRM
N#CCC1CN(C(=O)c2ccc3ccccc3c2O)C1	ZINC000598033479	350180097	/nfs/dbraw/zinc/18/00/97/350180097.db2.gz	JQHMMGSNBOWDEK-UHFFFAOYSA-N	-1	0	266.300	2.531	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000598421529	350267013	/nfs/dbraw/zinc/26/70/13/350267013.db2.gz	HUEFKGVAAVWZMQ-PHIMTYICSA-N	-1	0	288.303	2.624	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000600164947	350526950	/nfs/dbraw/zinc/52/69/50/350526950.db2.gz	LKAFQNDMAXQUQY-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
Cc1ccc(C[S@](=O)[C@@H](CC(C)C)C(=O)[O-])cc1C#N	ZINC000600881570	350622769	/nfs/dbraw/zinc/62/27/69/350622769.db2.gz	WXBXIFONCHSISK-XOBRGWDASA-N	-1	0	293.388	2.615	20	30		CFEDRM
CC(C)C[C@@H](Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000111026042	186345785	/nfs/dbraw/zinc/34/57/85/186345785.db2.gz	PDTVZLTYIJJADY-GFCCVEGCSA-N	-1	0	250.273	2.609	20	30		CFEDRM
CC(C)Cc1ccc([C@H](C)C(=O)N=c2[nH][n-]cc2C#N)cc1	ZINC000601640112	350751523	/nfs/dbraw/zinc/75/15/23/350751523.db2.gz	VJOOMDFMZUVFGX-LBPRGKRZSA-N	-1	0	296.374	2.644	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000601816928	350784132	/nfs/dbraw/zinc/78/41/32/350784132.db2.gz	HWIPCODTFPDDSJ-PRHODGIISA-N	-1	0	296.729	2.949	20	30		CFEDRM
N#Cc1cccc(-c2cc(=O)n(CC3CCCC3)[n-]2)c1	ZINC000601930692	350805190	/nfs/dbraw/zinc/80/51/90/350805190.db2.gz	AENGYMUZGLMCCS-UHFFFAOYSA-N	-1	0	267.332	2.685	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000601985670	350824149	/nfs/dbraw/zinc/82/41/49/350824149.db2.gz	BUBKCTVMZIRPIS-TZMCWYRMSA-N	-1	0	288.347	2.649	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)o1	ZINC000601940049	350811093	/nfs/dbraw/zinc/81/10/93/350811093.db2.gz	QSACYVAHTSEOTG-GHMZBOCLSA-N	-1	0	286.335	2.630	20	30		CFEDRM
C=CCN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000602010534	350829740	/nfs/dbraw/zinc/82/97/40/350829740.db2.gz	QFNGSSIGURWVGU-RYUDHWBXSA-N	-1	0	293.388	2.800	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1cc(F)cc(C#N)c1)C(=O)[O-]	ZINC000601993861	350825182	/nfs/dbraw/zinc/82/51/82/350825182.db2.gz	OUVUBEGZAGJUTP-UHFFFAOYSA-N	-1	0	292.310	2.917	20	30		CFEDRM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000603924127	351192033	/nfs/dbraw/zinc/19/20/33/351192033.db2.gz	ZLYTUKXNMDRWSL-LBPRGKRZSA-N	-1	0	261.712	2.982	20	30		CFEDRM
CCOc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000603921277	351192066	/nfs/dbraw/zinc/19/20/66/351192066.db2.gz	ORAOMDMOFAHPFB-AWEZNQCLSA-N	-1	0	271.320	2.728	20	30		CFEDRM
C[C@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(C#N)c1	ZINC000611005973	351633602	/nfs/dbraw/zinc/63/36/02/351633602.db2.gz	OHIHNOASLJWEKQ-JTQLQIEISA-N	-1	0	284.290	2.894	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000612161332	351781841	/nfs/dbraw/zinc/78/18/41/351781841.db2.gz	SFQADGUJEZBLQS-CQSZACIVSA-N	-1	0	288.376	2.523	20	30		CFEDRM
C[C@@H](N=c1nc(C(C)(C)C)o[n-]1)c1cccc(C#N)c1	ZINC000612661189	351848668	/nfs/dbraw/zinc/84/86/68/351848668.db2.gz	SRLKHWZLYAVLQY-SNVBAGLBSA-N	-1	0	270.336	2.834	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1	ZINC000614370161	352086244	/nfs/dbraw/zinc/08/62/44/352086244.db2.gz	VCLZUSQXRKQKTQ-JKSUJKDBSA-N	-1	0	284.359	2.962	20	30		CFEDRM
C[C@H](N(C)C(=O)c1cc(O)cc(C#N)c1)C1(C)CC1	ZINC000614372183	352086365	/nfs/dbraw/zinc/08/63/65/352086365.db2.gz	FQEYYKBVVWZKBA-JTQLQIEISA-N	-1	0	258.321	2.524	20	30		CFEDRM
CC[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1nccs1	ZINC000614369611	352086410	/nfs/dbraw/zinc/08/64/10/352086410.db2.gz	AFCVPSGPCDPUFP-LBPRGKRZSA-N	-1	0	287.344	2.601	20	30		CFEDRM
Cc1cc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1O	ZINC000615434934	352192500	/nfs/dbraw/zinc/19/25/00/352192500.db2.gz	RITJHYAJJOMHOO-UHFFFAOYSA-N	-1	0	282.299	2.839	20	30		CFEDRM
C=CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)COC	ZINC000617576639	352594186	/nfs/dbraw/zinc/59/41/86/352594186.db2.gz	YNCLVNKZIZJZSH-JTQLQIEISA-N	-1	0	283.755	2.709	20	30		CFEDRM
C=CCCNC(=O)c1cc(O)ccc1C(F)(F)F	ZINC000617617561	352605964	/nfs/dbraw/zinc/60/59/64/352605964.db2.gz	LGWIZDKHCKYPCU-UHFFFAOYSA-N	-1	0	259.227	2.717	20	30		CFEDRM
C=CCOCCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000618526117	352801326	/nfs/dbraw/zinc/80/13/26/352801326.db2.gz	KUJFEPBGJUPHJJ-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
N#C[C@@H](Sc1n[n-]c(=N)s1)c1ccc(Cl)cc1	ZINC000619864159	353069226	/nfs/dbraw/zinc/06/92/26/353069226.db2.gz	VNXSYVGYABOOJD-MRVPVSSYSA-N	-1	0	282.781	2.961	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000621586280	353382397	/nfs/dbraw/zinc/38/23/97/353382397.db2.gz	XXOMLULQHBBRKU-DGCLKSJQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000626769712	354320766	/nfs/dbraw/zinc/32/07/66/354320766.db2.gz	POVNXDWVQCVPFC-LBPRGKRZSA-N	-1	0	284.400	2.635	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccncc2C)s1	ZINC000629087240	354740643	/nfs/dbraw/zinc/74/06/43/354740643.db2.gz	VSXGILQGVHKZKZ-UHFFFAOYSA-N	-1	0	278.406	2.554	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000630234860	355031629	/nfs/dbraw/zinc/03/16/29/355031629.db2.gz	PVHVIDVTPGZMHS-ROKHWSDSSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630289011	355038882	/nfs/dbraw/zinc/03/88/82/355038882.db2.gz	MCXHBQUVUDVZGB-BPCQOVAHSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000630288476	355039004	/nfs/dbraw/zinc/03/90/04/355039004.db2.gz	DYFQIBGQSYTQOU-ZDUSSCGKSA-N	-1	0	261.321	2.778	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630181640	355024582	/nfs/dbraw/zinc/02/45/82/355024582.db2.gz	JPJMNJPMTJOXEJ-VXGBXAGGSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000630312930	355048533	/nfs/dbraw/zinc/04/85/33/355048533.db2.gz	CIWYAKOETYMTMW-CHWSQXEVSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccccc1Cl)C(=O)[O-]	ZINC000630316667	355048591	/nfs/dbraw/zinc/04/85/91/355048591.db2.gz	GEMUEEHEFFEAQT-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)[O-]	ZINC000630318171	355049308	/nfs/dbraw/zinc/04/93/08/355049308.db2.gz	FFMJGKQWTZRRJJ-AWEZNQCLSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-]	ZINC000630318815	355049310	/nfs/dbraw/zinc/04/93/10/355049310.db2.gz	MEHRUHXQDCLBAV-SECBINFHSA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-]	ZINC000630318893	355049409	/nfs/dbraw/zinc/04/94/09/355049409.db2.gz	OILSBPDTIFHRHL-GFCCVEGCSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000630318526	355049529	/nfs/dbraw/zinc/04/95/29/355049529.db2.gz	IBKIHJYKQNXATQ-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000630319056	355049957	/nfs/dbraw/zinc/04/99/57/355049957.db2.gz	RDCOMOGXMTYQKM-SNVBAGLBSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000630320198	355050126	/nfs/dbraw/zinc/05/01/26/355050126.db2.gz	QPQFFLMISUZUAI-GFCCVEGCSA-N	-1	0	279.311	2.592	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000630320119	355050174	/nfs/dbraw/zinc/05/01/74/355050174.db2.gz	PETBNDMLYSGCFS-ZFWWWQNUSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CO[C@@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630320721	355050719	/nfs/dbraw/zinc/05/07/19/355050719.db2.gz	AQJOAOLJVOYDFS-HZSPNIEDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000630320769	355050898	/nfs/dbraw/zinc/05/08/98/355050898.db2.gz	BOJLMKSRBNYANF-RFQIPJPRSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630321198	355050926	/nfs/dbraw/zinc/05/09/26/355050926.db2.gz	GULZXHZLSDHSPG-VXGBXAGGSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630322743	355051460	/nfs/dbraw/zinc/05/14/60/355051460.db2.gz	VPFHCCRBNPBTEF-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1ccc(F)cc1)C(=O)[O-]	ZINC000630323140	355051654	/nfs/dbraw/zinc/05/16/54/355051654.db2.gz	ZMVQEIMHFCETBR-AWEZNQCLSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000630322849	355051672	/nfs/dbraw/zinc/05/16/72/355051672.db2.gz	WWIBANCZGJCVHU-ZDUSSCGKSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000630324487	355051733	/nfs/dbraw/zinc/05/17/33/355051733.db2.gz	FBLKZKHDCUQYIN-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000630325258	355052229	/nfs/dbraw/zinc/05/22/29/355052229.db2.gz	INZUXXQQUAXWCV-SECBINFHSA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000630326729	355053074	/nfs/dbraw/zinc/05/30/74/355053074.db2.gz	SIIBBOJEVPZWNB-IUODEOHRSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000630548072	355108065	/nfs/dbraw/zinc/10/80/65/355108065.db2.gz	VBEQQTXYRLUNAL-SECBINFHSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000630548073	355108087	/nfs/dbraw/zinc/10/80/87/355108087.db2.gz	VBEQQTXYRLUNAL-VIFPVBQESA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630469008	355090697	/nfs/dbraw/zinc/09/06/97/355090697.db2.gz	SZVMXTHGAZTGKM-TZMCWYRMSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000630483989	355092704	/nfs/dbraw/zinc/09/27/04/355092704.db2.gz	UZRYZRYZWDJMCK-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000630495679	355094878	/nfs/dbraw/zinc/09/48/78/355094878.db2.gz	RWXSBQNMIUIXLN-LLVKDONJSA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=CCOc1cccc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)c1	ZINC000630959387	355230420	/nfs/dbraw/zinc/23/04/20/355230420.db2.gz	GWBZCRWOSJPJJQ-FZMZJTMJSA-N	-1	0	285.347	2.792	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)co1	ZINC000633900344	356028961	/nfs/dbraw/zinc/02/89/61/356028961.db2.gz	PHBBXKVCISFFEG-NSHDSACASA-N	-1	0	287.344	2.898	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000685020125	540897635	/nfs/dbraw/zinc/89/76/35/540897635.db2.gz	PPDMYOXEBOSYDU-MLGOLLRUSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)NCCCCC(=O)[O-]	ZINC000666557174	541109420	/nfs/dbraw/zinc/10/94/20/541109420.db2.gz	AYYNEIFLPWVTIS-UHFFFAOYSA-N	-1	0	296.392	2.701	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1cccc(F)c1	ZINC000049513583	260662083	/nfs/dbraw/zinc/66/20/83/260662083.db2.gz	GUVIJOLCHGBNDI-UHFFFAOYSA-N	-1	0	285.340	2.793	20	30		CFEDRM
N#Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1	ZINC000013249020	372021195	/nfs/dbraw/zinc/02/11/95/372021195.db2.gz	VBGIUJQDVDEJQS-UHFFFAOYSA-N	-1	0	286.331	2.922	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1	ZINC000019836469	372193572	/nfs/dbraw/zinc/19/35/72/372193572.db2.gz	GSHHMAQGBBCKIA-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccccc2[N+](=O)[O-])n1	ZINC000041520582	372846222	/nfs/dbraw/zinc/84/62/22/372846222.db2.gz	NONZORSFFCDSAV-SNVBAGLBSA-N	-1	0	287.300	2.850	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519759	373193639	/nfs/dbraw/zinc/19/36/39/373193639.db2.gz	QMYUVRSBRJGXIL-UHFFFAOYSA-N	-1	0	281.377	2.867	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000054297482	373511994	/nfs/dbraw/zinc/51/19/94/373511994.db2.gz	PBNYJFOXMFMYLE-JTQLQIEISA-N	-1	0	278.739	2.903	20	30		CFEDRM
CCC[C@H](CC(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000451724747	383691990	/nfs/dbraw/zinc/69/19/90/383691990.db2.gz	LKLILUIBAMHAJY-GFCCVEGCSA-N	-1	0	288.395	2.982	20	30		CFEDRM
Cn1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000073977438	374399491	/nfs/dbraw/zinc/39/94/91/374399491.db2.gz	BFGDODWUPQHBMF-JTQLQIEISA-N	-1	0	265.272	2.656	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1SCC)C(=O)[O-]	ZINC000574636373	335035770	/nfs/dbraw/zinc/03/57/70/335035770.db2.gz	FGGKLRHKENIOJH-LBPRGKRZSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000262531140	190057049	/nfs/dbraw/zinc/05/70/49/190057049.db2.gz	IJGDKUZMYLIFNK-PMPSAXMXSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(F)cc1	ZINC000262888115	190064418	/nfs/dbraw/zinc/06/44/18/190064418.db2.gz	HQNKVCJFFHJPBT-LBPRGKRZSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000262972205	190065379	/nfs/dbraw/zinc/06/53/79/190065379.db2.gz	SRWXWXWIABIVQM-RISCZKNCSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC1(CC(=O)[O-])CCCC1	ZINC000263043910	190066027	/nfs/dbraw/zinc/06/60/27/190066027.db2.gz	ZWALXOUBTMVUKC-UHFFFAOYSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000263265029	190067270	/nfs/dbraw/zinc/06/72/70/190067270.db2.gz	KSKWIVKBYJVBKJ-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000678983554	542105001	/nfs/dbraw/zinc/10/50/01/542105001.db2.gz	UIPVUDTWBHGQGW-UHFFFAOYSA-N	-1	0	291.347	2.580	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(OCC)ccc1OCC	ZINC000123070101	376944779	/nfs/dbraw/zinc/94/47/79/376944779.db2.gz	KIJVTXGTQUJENR-UHFFFAOYSA-N	-1	0	299.392	2.802	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N[C@H]1CCOC2(CCCCC2)C1	ZINC000330203396	378527779	/nfs/dbraw/zinc/52/77/79/378527779.db2.gz	ATUHHOGLKSUSNJ-JTQLQIEISA-N	-1	0	296.396	2.746	20	30		CFEDRM
C=CCOc1cccc(NC(=O)NOCC(C)C)c1	ZINC000159535574	378715504	/nfs/dbraw/zinc/71/55/04/378715504.db2.gz	DFQDYACJYXKLQV-UHFFFAOYSA-N	-1	0	264.325	2.961	20	30		CFEDRM
N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1ccccn1	ZINC000165463369	379040311	/nfs/dbraw/zinc/04/03/11/379040311.db2.gz	YXTMCGWDOUXLBY-MFKMUULPSA-N	-1	0	299.355	2.880	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2ccsc21	ZINC000335664499	379681457	/nfs/dbraw/zinc/68/14/57/379681457.db2.gz	SVVDDDGAMDILIU-JTQLQIEISA-N	-1	0	280.374	2.945	20	30		CFEDRM
C=C1CCN(C(=O)Cc2ccc(O)cc2Cl)CC1	ZINC000334929725	379945028	/nfs/dbraw/zinc/94/50/28/379945028.db2.gz	OISFMLUCCPCENY-UHFFFAOYSA-N	-1	0	265.740	2.767	20	30		CFEDRM
CCCCCC[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175295546	380040482	/nfs/dbraw/zinc/04/04/82/380040482.db2.gz	JLQSTFWOWXPPPH-JTQLQIEISA-N	-1	0	273.340	2.698	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)o1	ZINC000335988830	380202496	/nfs/dbraw/zinc/20/24/96/380202496.db2.gz	FACYICMVHHMACP-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
C=C(C)Cn1c([C@@H](C)CC)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000358826869	381107929	/nfs/dbraw/zinc/10/79/29/381107929.db2.gz	JDZFOXAAFKDXAT-JTQLQIEISA-N	-1	0	288.399	2.873	20	30		CFEDRM
COc1ccsc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000359294910	381333235	/nfs/dbraw/zinc/33/32/35/381333235.db2.gz	AYDAJHYLBUDDBS-SNAWJCMRSA-N	-1	0	286.312	2.892	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)o1	ZINC000342453376	381340054	/nfs/dbraw/zinc/34/00/54/381340054.db2.gz	SSYTUSRMWKAQAH-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000290344395	381391654	/nfs/dbraw/zinc/39/16/54/381391654.db2.gz	KQKYIIASHYPXIV-GFCCVEGCSA-N	-1	0	290.146	2.965	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc2ccccc2o1	ZINC000359716004	381574414	/nfs/dbraw/zinc/57/44/14/381574414.db2.gz	KMNDKENITVHSGQ-UHFFFAOYSA-N	-1	0	292.298	2.579	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1	ZINC000361529450	381839505	/nfs/dbraw/zinc/83/95/05/381839505.db2.gz	YDSMSBSIHHHVNQ-OAHLLOKOSA-N	-1	0	290.326	2.941	20	30		CFEDRM
CC(C)c1occc1C([O-])=C(C#N)c1ccncn1	ZINC000361793313	381863450	/nfs/dbraw/zinc/86/34/50/381863450.db2.gz	WTIALFALQRNFOY-NSHDSACASA-N	-1	0	255.277	2.683	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC[C@H]2CCCCO2)s1	ZINC000351629772	382050089	/nfs/dbraw/zinc/05/00/89/382050089.db2.gz	QBMSKYVYBGPPBE-SNVBAGLBSA-N	-1	0	285.438	2.609	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2scnc2C)s1	ZINC000351697344	382057402	/nfs/dbraw/zinc/05/74/02/382057402.db2.gz	MVUSWSZPUOGWHF-UHFFFAOYSA-N	-1	0	284.435	2.615	20	30		CFEDRM
CC[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C1CCC(C)CC1	ZINC000357248352	382076712	/nfs/dbraw/zinc/07/67/12/382076712.db2.gz	VSUAFTSJKJHKOJ-GDKBPFBDSA-N	-1	0	288.395	2.803	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000352022315	382133532	/nfs/dbraw/zinc/13/35/32/382133532.db2.gz	WTVGUTASNDIRQY-HYXAFXHYSA-N	-1	0	267.244	2.737	20	30		CFEDRM
CC(C)Cc1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000352502438	382369867	/nfs/dbraw/zinc/36/98/67/382369867.db2.gz	UWWCTOVDIATSKL-UHFFFAOYSA-N	-1	0	296.330	2.505	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1	ZINC000353075082	382492073	/nfs/dbraw/zinc/49/20/73/382492073.db2.gz	COTGZEHTRLRMJU-LBPRGKRZSA-N	-1	0	298.371	2.700	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000315952473	382528395	/nfs/dbraw/zinc/52/83/95/382528395.db2.gz	VHCIUSREYZJHDT-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)[O-]	ZINC000316186642	382528428	/nfs/dbraw/zinc/52/84/28/382528428.db2.gz	XIMRGFKDKOHKJJ-LBPRGKRZSA-N	-1	0	296.754	2.559	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1cnc2ccccc2n1	ZINC000190968975	382686849	/nfs/dbraw/zinc/68/68/49/382686849.db2.gz	POQXYVJCMMKQIR-AWEZNQCLSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](CCCC)C(=O)[O-]	ZINC000398224895	382635500	/nfs/dbraw/zinc/63/55/00/382635500.db2.gz	POKWLMDEOILPQW-NEPJUHHUSA-N	-1	0	270.373	2.674	20	30		CFEDRM
CC(C)C[C@@H](CNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000336854373	382735679	/nfs/dbraw/zinc/73/56/79/382735679.db2.gz	NVZVRFTWVNGXFC-ZDUSSCGKSA-N	-1	0	297.358	2.687	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000193088541	382715485	/nfs/dbraw/zinc/71/54/85/382715485.db2.gz	MZJNXAINQVGGIF-CXAGYDPISA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457289693	383013014	/nfs/dbraw/zinc/01/30/14/383013014.db2.gz	ISRXNMRZMOYIDS-UHFFFAOYSA-N	-1	0	271.263	2.592	20	30		CFEDRM
C=CCCCNC(=O)N=c1nc(SCCC)[n-]s1	ZINC000447986036	383036583	/nfs/dbraw/zinc/03/65/83/383036583.db2.gz	AHLFYVSLXMIOCE-UHFFFAOYSA-N	-1	0	286.426	2.550	20	30		CFEDRM
C=CCC1(C(=O)N=c2ccc(C3CC3)n[n-]2)CCCC1	ZINC000580413132	383079459	/nfs/dbraw/zinc/07/94/59/383079459.db2.gz	DORDOAUZZMIMSC-UHFFFAOYSA-N	-1	0	271.364	2.851	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(SCC)cc1)C(=O)[O-]	ZINC000448994650	383125032	/nfs/dbraw/zinc/12/50/32/383125032.db2.gz	ORSKKQQUQVNZSO-ZDUSSCGKSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000448998151	383126038	/nfs/dbraw/zinc/12/60/38/383126038.db2.gz	WAVZMUJUSJRYDL-SWLSCSKDSA-N	-1	0	289.375	2.888	20	30		CFEDRM
CC(=Cc1ccc(C)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000584447887	383102992	/nfs/dbraw/zinc/10/29/92/383102992.db2.gz	AHPNVYXUUQYZOT-DHZHZOJOSA-N	-1	0	265.316	2.819	20	30		CFEDRM
C=CCC[C@@H](O)CN(CC)c1cccc(C(=O)[O-])c1	ZINC000565549863	383180498	/nfs/dbraw/zinc/18/04/98/383180498.db2.gz	NDLJQOMWZBIRGU-CQSZACIVSA-N	-1	0	263.337	2.538	20	30		CFEDRM
C=C1CCN(C(=O)c2cccc(Br)c2[O-])CC1	ZINC000518657517	383206303	/nfs/dbraw/zinc/20/63/03/383206303.db2.gz	MLVGTCCASBLERG-UHFFFAOYSA-N	-1	0	296.164	2.947	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N([C@@H](CC)C(=O)[O-])C1CC1	ZINC000555843542	383149358	/nfs/dbraw/zinc/14/93/58/383149358.db2.gz	LIVAAPMRLDXXOA-YPMHNXCESA-N	-1	0	282.384	2.768	20	30		CFEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000556698060	383152664	/nfs/dbraw/zinc/15/26/64/383152664.db2.gz	YCXRVKPNEFXEKT-JTQLQIEISA-N	-1	0	294.314	2.912	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ns1	ZINC000515766426	383161240	/nfs/dbraw/zinc/16/12/40/383161240.db2.gz	RKKVBMDNEWPZFR-SECBINFHSA-N	-1	0	282.328	2.818	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634899844	383397431	/nfs/dbraw/zinc/39/74/31/383397431.db2.gz	WUGYQAAHZFZRPB-QMTHXVAHSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634899842	383397833	/nfs/dbraw/zinc/39/78/33/383397833.db2.gz	WUGYQAAHZFZRPB-HZMBPMFUSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CC1CCN(C(=O)C[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000634904690	383398012	/nfs/dbraw/zinc/39/80/12/383398012.db2.gz	VVFHAJDXQCJSSG-OAHLLOKOSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000568396654	383398833	/nfs/dbraw/zinc/39/88/33/383398833.db2.gz	RPCUECCCPYSIFH-LBPRGKRZSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C1CC1	ZINC000634910960	383400833	/nfs/dbraw/zinc/40/08/33/383400833.db2.gz	ODEBTTBCSPZHAT-OAHLLOKOSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CCN(C)C(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634914559	383402033	/nfs/dbraw/zinc/40/20/33/383402033.db2.gz	XTARCWKODDKHHQ-HNNXBMFYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000634938654	383412801	/nfs/dbraw/zinc/41/28/01/383412801.db2.gz	OMFKBJLVMGGGHP-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
CC[C@@H](Cc1ccccc1C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000425285638	383358945	/nfs/dbraw/zinc/35/89/45/383358945.db2.gz	SWAUZSLTYRJJPF-ZDUSSCGKSA-N	-1	0	296.374	2.528	20	30		CFEDRM
C=C(C)CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634941049	383413451	/nfs/dbraw/zinc/41/34/51/383413451.db2.gz	UCBLJKQWFTZZSB-OAHLLOKOSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C(C)CNC(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634940902	383413629	/nfs/dbraw/zinc/41/36/29/383413629.db2.gz	PVNJBVCUJMKMJP-SECBINFHSA-N	-1	0	299.729	2.730	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634847572	383379041	/nfs/dbraw/zinc/37/90/41/383379041.db2.gz	JWVXFBSKNMVJLH-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634847703	383379701	/nfs/dbraw/zinc/37/97/01/383379701.db2.gz	MBSWAQRGGZGIFN-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]c(C3CCC3)no2)cc1	ZINC000450519727	383446357	/nfs/dbraw/zinc/44/63/57/383446357.db2.gz	NISRMMQWVPQZAC-UHFFFAOYSA-N	-1	0	285.347	2.936	20	30		CFEDRM
N#CCc1cccc(N=c2nc(C3CC3)[n-]s2)c1	ZINC000450890032	383538526	/nfs/dbraw/zinc/53/85/26/383538526.db2.gz	FLZIHCCALKAMCW-UHFFFAOYSA-N	-1	0	256.334	2.647	20	30		CFEDRM
Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1	ZINC000430643958	383595988	/nfs/dbraw/zinc/59/59/88/383595988.db2.gz	SMZCSZZCYPGQPQ-SNVBAGLBSA-N	-1	0	288.376	2.664	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1nc(C(C)(C)C)[n-]s1	ZINC000435596035	383777130	/nfs/dbraw/zinc/77/71/30/383777130.db2.gz	GBOHSFVJEFEMIF-MNOVXSKESA-N	-1	0	281.425	2.651	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C#N)cc1C(F)(F)F	ZINC000263396576	383662514	/nfs/dbraw/zinc/66/25/14/383662514.db2.gz	HVGTYWHKRULHAH-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
CC(C)=CCC[C@@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000573094384	383869154	/nfs/dbraw/zinc/86/91/54/383869154.db2.gz	WIHCIDNNMSXZDD-LLVKDONJSA-N	-1	0	285.351	2.864	20	30		CFEDRM
C=C(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1	ZINC000436736783	383884872	/nfs/dbraw/zinc/88/48/72/383884872.db2.gz	OZISTWVEXZENCT-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000436794125	383895193	/nfs/dbraw/zinc/89/51/93/383895193.db2.gz	ABOYZGFNMGCLKO-IUODEOHRSA-N	-1	0	289.331	2.515	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC23CCCCC3)[n-]1	ZINC000532178903	383988057	/nfs/dbraw/zinc/98/80/57/383988057.db2.gz	MAVRDJKBOOZKCA-ZDUSSCGKSA-N	-1	0	286.379	2.666	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]nc(C(C)(C)CC)o1	ZINC000641549099	384224782	/nfs/dbraw/zinc/22/47/82/384224782.db2.gz	RGCRLNSHQSSAHR-RYUDHWBXSA-N	-1	0	279.384	2.572	20	30		CFEDRM
C=C1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1	ZINC000281258006	195170345	/nfs/dbraw/zinc/17/03/45/195170345.db2.gz	AJJOPUZTYJAOMB-QPJJXVBHSA-N	-1	0	271.316	2.577	20	30		CFEDRM
C=CCCOCCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000229857888	130886708	/nfs/dbraw/zinc/88/67/08/130886708.db2.gz	CUGPMTCYXWCDLM-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])s1	ZINC000237962845	131069160	/nfs/dbraw/zinc/06/91/60/131069160.db2.gz	XTVSVFWPUBXXBI-UHFFFAOYSA-N	-1	0	293.266	2.637	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000338508004	393789017	/nfs/dbraw/zinc/78/90/17/393789017.db2.gz	FNIARDDSZDDVIB-ILWJIGKKSA-N	-1	0	285.438	2.606	20	30		CFEDRM
C=CC[C@H](CC)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338714606	393796306	/nfs/dbraw/zinc/79/63/06/393796306.db2.gz	TZLHOAVPAMERJR-NSHDSACASA-N	-1	0	267.398	2.621	20	30		CFEDRM
CC(C)(C#N)CN=c1[n-]nc(Cc2ccc(F)cc2)s1	ZINC000338687413	393796482	/nfs/dbraw/zinc/79/64/82/393796482.db2.gz	JIVHOFUONVXDBX-UHFFFAOYSA-N	-1	0	290.367	2.652	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000343316251	393884082	/nfs/dbraw/zinc/88/40/82/393884082.db2.gz	APTRQKFYVOCRHW-NSHDSACASA-N	-1	0	274.368	2.642	20	30		CFEDRM
N#C[C@@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1	ZINC000113710759	393897347	/nfs/dbraw/zinc/89/73/47/393897347.db2.gz	OBNNEOGYNAKNQM-GFCCVEGCSA-N	-1	0	285.234	2.619	20	30		CFEDRM
CCC(CC)(CNc1nc2ccccn2c1C#N)C(=O)[O-]	ZINC000424478856	393849157	/nfs/dbraw/zinc/84/91/57/393849157.db2.gz	XPYIWZNBJHVTTK-UHFFFAOYSA-N	-1	0	286.335	2.509	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000416443917	393919863	/nfs/dbraw/zinc/91/98/63/393919863.db2.gz	WPENQXQSEGGAIT-SNVBAGLBSA-N	-1	0	295.770	2.720	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N3CCC[C@H](C(=O)[O-])C3)c2c1	ZINC000263445500	393962627	/nfs/dbraw/zinc/96/26/27/393962627.db2.gz	YNOKOCDADFGCGS-LBPRGKRZSA-N	-1	0	295.342	2.716	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000349273737	393966578	/nfs/dbraw/zinc/96/65/78/393966578.db2.gz	DXKMHDGBEWDARX-SECBINFHSA-N	-1	0	267.244	2.614	20	30		CFEDRM
CC1(C)C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000124153928	393991399	/nfs/dbraw/zinc/99/13/99/393991399.db2.gz	MGWQHUGYXMGQJY-ZRRZQRFHSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OC/C=C/Cl	ZINC000291803184	394262487	/nfs/dbraw/zinc/26/24/87/394262487.db2.gz	LCBMGHWFPBXDEW-FPYGCLRLSA-N	-1	0	294.738	2.516	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nccc2ccccc21	ZINC000685797164	542945422	/nfs/dbraw/zinc/94/54/22/542945422.db2.gz	MTLXNPOKDONVTJ-HNNXBMFYSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000648345103	395544678	/nfs/dbraw/zinc/54/46/78/395544678.db2.gz	SKXUOLJILQYMKN-AGIUHOORSA-N	-1	0	279.380	2.760	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1	ZINC000047359390	397585253	/nfs/dbraw/zinc/58/52/53/397585253.db2.gz	SZBHYYYKJXCSKJ-LLVKDONJSA-N	-1	0	293.330	2.729	20	30		CFEDRM
COc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000356196403	155181671	/nfs/dbraw/zinc/18/16/71/155181671.db2.gz	BMVAZNHHYPYWIY-ALCCZGGFSA-N	-1	0	280.283	2.830	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000653531536	413351330	/nfs/dbraw/zinc/35/13/30/413351330.db2.gz	ORZHWFIUQILCGZ-NEPJUHHUSA-N	-1	0	270.373	2.531	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1cccc(OCC(=O)[O-])c1	ZINC000349109359	162943645	/nfs/dbraw/zinc/94/36/45/162943645.db2.gz	NGQNGYZHCLGKLX-PLNGDYQASA-N	-1	0	280.283	2.587	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000007056946	170265060	/nfs/dbraw/zinc/26/50/60/170265060.db2.gz	CCOUGBMNYDRLSD-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(C(=O)[O-])c2)cc1	ZINC000037308043	173110958	/nfs/dbraw/zinc/11/09/58/173110958.db2.gz	USVNWJFXKBNJHV-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655575246	414328863	/nfs/dbraw/zinc/32/88/63/414328863.db2.gz	HAMDATGBHVUGOH-ZDEQEGDKSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000659223964	414473486	/nfs/dbraw/zinc/47/34/86/414473486.db2.gz	YZQJIYOIZREVGP-JTQLQIEISA-N	-1	0	279.311	2.742	20	30		CFEDRM
C=CCCCCCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000659162209	414458476	/nfs/dbraw/zinc/45/84/76/414458476.db2.gz	BQEMLGUICFBRGT-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000659181525	414463493	/nfs/dbraw/zinc/46/34/93/414463493.db2.gz	PHSZAFJDMRVUHM-YGUOUDRMSA-N	-1	0	279.380	2.905	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659244114	414477871	/nfs/dbraw/zinc/47/78/71/414477871.db2.gz	HGTMGUPFBUHJNP-UHFFFAOYSA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	ZINC000659408722	414516756	/nfs/dbraw/zinc/51/67/56/414516756.db2.gz	CSJJVFHELCZTJL-ZDUSSCGKSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000659411252	414518417	/nfs/dbraw/zinc/51/84/17/414518417.db2.gz	MBARKECFBQAPRG-MGPQQGTHSA-N	-1	0	296.411	2.777	20	30		CFEDRM
C#Cc1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000040522040	174310812	/nfs/dbraw/zinc/31/08/12/174310812.db2.gz	YKFSTODTDRQSEL-UHFFFAOYSA-N	-1	0	286.331	2.577	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)c(C#N)c1	ZINC000061827443	175655686	/nfs/dbraw/zinc/65/56/86/175655686.db2.gz	YRNQLTAQESXINO-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354474900	227007858	/nfs/dbraw/zinc/00/78/58/227007858.db2.gz	XCYGECGKMALNLJ-SNVBAGLBSA-N	-1	0	257.318	2.645	20	30		CFEDRM
C[C@@H](CC#N)NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000050391576	260207561	/nfs/dbraw/zinc/20/75/61/260207561.db2.gz	SOXNHERTIFVKFQ-ZETCQYMHSA-N	-1	0	293.175	2.574	20	30		CFEDRM
C[C@H](CC#N)NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000050391577	260207685	/nfs/dbraw/zinc/20/76/85/260207685.db2.gz	SOXNHERTIFVKFQ-SSDOTTSWSA-N	-1	0	293.175	2.574	20	30		CFEDRM
CC1(C)[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H]2CCO[C@@H]21	ZINC000078052651	260299011	/nfs/dbraw/zinc/29/90/11/260299011.db2.gz	VMMWWPYKHJYCLS-YFMQMKNKSA-N	-1	0	290.319	2.533	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCO[C@@H](C3CC3)C2)c1	ZINC000154226309	261089252	/nfs/dbraw/zinc/08/92/52/261089252.db2.gz	MIPHKXQJBXYBFN-OYDFKFITSA-N	-1	0	290.319	2.677	20	30		CFEDRM
COCCC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000155036052	261097173	/nfs/dbraw/zinc/09/71/73/261097173.db2.gz	IFCIGEQZFONLRS-MHWRWJLKSA-N	-1	0	292.335	2.926	20	30		CFEDRM
C#C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000491230502	261381038	/nfs/dbraw/zinc/38/10/38/261381038.db2.gz	NFEPXFASZYTZQP-GRRFOWRYSA-N	-1	0	260.293	2.767	20	30		CFEDRM
C=CC[C@H](C)NC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000363947400	262049322	/nfs/dbraw/zinc/04/93/22/262049322.db2.gz	OVTBQROHQFLALR-QMMMGPOBSA-N	-1	0	294.405	2.775	20	30		CFEDRM
CC(C)(C)n1cc(C=CC(=O)c2sccc2[O-])nn1	ZINC000193149898	262217343	/nfs/dbraw/zinc/21/73/43/262217343.db2.gz	FCUAATVIWQFICO-SNAWJCMRSA-N	-1	0	277.349	2.696	20	30		CFEDRM
N#CC(=C([O-])c1ccc(Br)o1)c1ccccn1	ZINC000060477019	262322880	/nfs/dbraw/zinc/32/28/80/262322880.db2.gz	IWCGDJPEFUUVSL-QMMMGPOBSA-N	-1	0	291.104	2.927	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C#N)oc2C)n1	ZINC000435775705	269922910	/nfs/dbraw/zinc/92/29/10/269922910.db2.gz	FKXSCLSOPDJSPU-LLVKDONJSA-N	-1	0	271.301	2.715	20	30		CFEDRM
C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1	ZINC000280890185	263064795	/nfs/dbraw/zinc/06/47/95/263064795.db2.gz	BSGGWJQNJMMVHY-YJRYXAQASA-N	-1	0	298.726	2.798	20	30		CFEDRM
N#C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)C1CCCCC1	ZINC000283482743	263082965	/nfs/dbraw/zinc/08/29/65/263082965.db2.gz	QBGVAUCLLJPBLC-MRVPVSSYSA-N	-1	0	299.783	2.704	20	30		CFEDRM
COC(=O)[C@@H](CF)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000287200001	263101171	/nfs/dbraw/zinc/10/11/71/263101171.db2.gz	LTKFUJBMHMICMZ-DXLPTXHLSA-N	-1	0	294.109	2.629	20	30		CFEDRM
COC(=O)[C@H](CF)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000287200004	263101202	/nfs/dbraw/zinc/10/12/02/263101202.db2.gz	LTKFUJBMHMICMZ-XDDINVHESA-N	-1	0	294.109	2.629	20	30		CFEDRM
C#C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000287220195	263101455	/nfs/dbraw/zinc/10/14/55/263101455.db2.gz	NFEPXFASZYTZQP-NCPSJORJSA-N	-1	0	260.293	2.767	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCSC2)c1	ZINC000287374724	263101807	/nfs/dbraw/zinc/10/18/07/263101807.db2.gz	ZLNXSAFZSPZHEY-WWNSAXIVSA-N	-1	0	280.349	2.863	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000292135724	263129010	/nfs/dbraw/zinc/12/90/10/263129010.db2.gz	SYGADFSMDFSWPV-LLVKDONJSA-N	-1	0	266.728	2.714	20	30		CFEDRM
CCc1cc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1O	ZINC000297004391	263199809	/nfs/dbraw/zinc/19/98/09/263199809.db2.gz	SOVAIXPAPZYGFJ-FZMZJTMJSA-N	-1	0	272.348	2.767	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)NC[C@@H]2CC=CCC2)s1	ZINC000330693910	264005075	/nfs/dbraw/zinc/00/50/75/264005075.db2.gz	BYFIMRIRGAYHQG-SECBINFHSA-N	-1	0	298.437	2.754	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000190930997	264440327	/nfs/dbraw/zinc/44/03/27/264440327.db2.gz	OTUCORQNWJMXML-CHWSQXEVSA-N	-1	0	275.348	2.525	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1	ZINC000093901358	265199020	/nfs/dbraw/zinc/19/90/20/265199020.db2.gz	LTMSJOLCYHUCAG-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000362632461	267027030	/nfs/dbraw/zinc/02/70/30/267027030.db2.gz	CMNBIYVFJHFULD-LBPRGKRZSA-N	-1	0	291.347	2.921	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000362937675	267063228	/nfs/dbraw/zinc/06/32/28/267063228.db2.gz	BTZTVXHOUSJUHM-LLVKDONJSA-N	-1	0	294.424	2.731	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2[nH]1	ZINC000429672059	268207072	/nfs/dbraw/zinc/20/70/72/268207072.db2.gz	BYEVHOAVAQIKHR-JTQLQIEISA-N	-1	0	276.255	2.518	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc2ccccc2[nH]1	ZINC000429340028	268207295	/nfs/dbraw/zinc/20/72/95/268207295.db2.gz	SZSWDNGAAGGZBA-SNVBAGLBSA-N	-1	0	292.323	2.986	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000263401715	277783225	/nfs/dbraw/zinc/78/32/25/277783225.db2.gz	FHCSBHXYJCAJQJ-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
Cc1ccc2[nH]c(NC(=O)c3ccc(C#N)c([O-])c3)nc2c1	ZINC000344485494	281160802	/nfs/dbraw/zinc/16/08/02/281160802.db2.gz	ZCZZCVHZVKNPJV-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N3CC[C@@](C)(C(=O)[O-])C3)c2c1	ZINC000263405373	301928144	/nfs/dbraw/zinc/92/81/44/301928144.db2.gz	KJEUHGVKGNBCSW-QGZVFWFLSA-N	-1	0	295.342	2.716	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(N2CCC(C(=O)[O-])CC2)c1	ZINC000262090924	303189330	/nfs/dbraw/zinc/18/93/30/303189330.db2.gz	GYEAUGIWRBROHI-UHFFFAOYSA-N	-1	0	298.264	2.878	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cccc(Cl)c2[O-])C1	ZINC000531759863	328030858	/nfs/dbraw/zinc/03/08/58/328030858.db2.gz	WYLPKDIUWLPQAN-UHFFFAOYSA-N	-1	0	264.712	2.924	20	30		CFEDRM
C=CCn1c(C(C)(C)C)n[n-]c1=Nc1cccc(OC)c1	ZINC000563629464	328078855	/nfs/dbraw/zinc/07/88/55/328078855.db2.gz	IRUOARKSXNVGBP-UHFFFAOYSA-N	-1	0	286.379	2.936	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCSC2)c1	ZINC000267269984	328176735	/nfs/dbraw/zinc/17/67/35/328176735.db2.gz	DXFPTQSQHBEJAO-JLATVTFTSA-N	-1	0	266.322	2.615	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCOC3(CCC3)C2)c1	ZINC000269024368	328188924	/nfs/dbraw/zinc/18/89/24/328188924.db2.gz	JNZRQXVGAMGPSR-SEJMYLSOSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000281874488	328241396	/nfs/dbraw/zinc/24/13/96/328241396.db2.gz	RQYLMTIUYLWBNN-HWSTTWDJSA-N	-1	0	290.319	2.701	20	30		CFEDRM
C=CC(C)(C)CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000452772853	328277060	/nfs/dbraw/zinc/27/70/60/328277060.db2.gz	GUCAXGFXFDFHJO-UHFFFAOYSA-N	-1	0	255.264	2.612	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O	ZINC000416957008	328435473	/nfs/dbraw/zinc/43/54/73/328435473.db2.gz	KTNWEKXQAPMYBB-JTQLQIEISA-N	-1	0	296.392	2.734	20	30		CFEDRM
CCc1cc(C#N)c([N-]S(=O)(=O)c2ccccc2)s1	ZINC000583117328	325260986	/nfs/dbraw/zinc/26/09/86/325260986.db2.gz	RKRBASIJTYCDSO-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
CC(C)n1cc(-c2ccc(C#N)cc2CO)cc1C(=O)[O-]	ZINC000584065090	325329245	/nfs/dbraw/zinc/32/92/45/325329245.db2.gz	WPAREDIEGJAWLT-UHFFFAOYSA-N	-1	0	284.315	2.798	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000263517573	327074243	/nfs/dbraw/zinc/07/42/43/327074243.db2.gz	FMEGLPWTPFQHJS-YNEHKIRRSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CC#CCN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000569707542	327538639	/nfs/dbraw/zinc/53/86/39/327538639.db2.gz	FBEMSEMYHVPRLW-UHFFFAOYSA-N	-1	0	271.238	2.506	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000570293966	327581826	/nfs/dbraw/zinc/58/18/26/327581826.db2.gz	SYGJDWBVYWFYPB-GFCCVEGCSA-N	-1	0	279.361	2.758	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000393732203	329089016	/nfs/dbraw/zinc/08/90/16/329089016.db2.gz	CRYVWGURGPPMNN-DOMZBBRYSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000393732207	329089159	/nfs/dbraw/zinc/08/91/59/329089159.db2.gz	CRYVWGURGPPMNN-SWLSCSKDSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000393758907	329089453	/nfs/dbraw/zinc/08/94/53/329089453.db2.gz	IPELJPVIAJRNON-MWLCHTKSSA-N	-1	0	282.365	2.528	20	30		CFEDRM
CCCn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cn1	ZINC000181490432	329233574	/nfs/dbraw/zinc/23/35/74/329233574.db2.gz	LOWGCVSJMMJMSU-GFCCVEGCSA-N	-1	0	293.330	2.659	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000183118844	329244795	/nfs/dbraw/zinc/24/47/95/329244795.db2.gz	ZMFNXWWVYXAMAI-SNVBAGLBSA-N	-1	0	280.287	2.658	20	30		CFEDRM
N#CC(=C([O-])c1nc2c(s1)CCC2)c1ccccn1	ZINC000582954894	329293334	/nfs/dbraw/zinc/29/33/34/329293334.db2.gz	HDZPEALAJVXHDV-SECBINFHSA-N	-1	0	269.329	2.517	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(Cl)c1	ZINC000230017301	329362342	/nfs/dbraw/zinc/36/23/42/329362342.db2.gz	NDYKISGRBKSFGM-JTQLQIEISA-N	-1	0	276.720	2.523	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000393770193	329388138	/nfs/dbraw/zinc/38/81/38/329388138.db2.gz	XOQFAQVJXKKJNK-LLVKDONJSA-N	-1	0	270.373	2.531	20	30		CFEDRM
Cc1nscc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190970837	329403666	/nfs/dbraw/zinc/40/36/66/329403666.db2.gz	AAMRUXTVWZZEHB-SNVBAGLBSA-N	-1	0	294.339	2.885	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000193275296	329439469	/nfs/dbraw/zinc/43/94/69/329439469.db2.gz	AONFZLHCIXFLHQ-SNVBAGLBSA-N	-1	0	280.287	2.603	20	30		CFEDRM
C#CCN(C(=O)Cc1ccccc1C(=O)[O-])C1CCCCC1	ZINC000262200416	330003878	/nfs/dbraw/zinc/00/38/78/330003878.db2.gz	SCZPGBNJQIKBEQ-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000262773812	330030525	/nfs/dbraw/zinc/03/05/25/330030525.db2.gz	AMRJVBARRVKGDU-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1OC(C)C)C(=O)[O-]	ZINC000262931393	330037147	/nfs/dbraw/zinc/03/71/47/330037147.db2.gz	OWSVVPIYMDICKG-ZDUSSCGKSA-N	-1	0	291.347	2.623	20	30		CFEDRM
C#CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCCCC1	ZINC000262968411	330037802	/nfs/dbraw/zinc/03/78/02/330037802.db2.gz	RKACELAQRUMKMC-HDJSIYSDSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000262984005	330037939	/nfs/dbraw/zinc/03/79/39/330037939.db2.gz	UQILUCHEPZXCGH-CMPLNLGQSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000262988666	330038208	/nfs/dbraw/zinc/03/82/08/330038208.db2.gz	SEVVPIUSPLTSHT-DZGCQCFKSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000263137506	330045498	/nfs/dbraw/zinc/04/54/98/330045498.db2.gz	HXHGGUPPRMZKRB-GUTXKFCHSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CCC1(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CCC1	ZINC000263183497	330047972	/nfs/dbraw/zinc/04/79/72/330047972.db2.gz	RSXUWDQBZAVIEE-UHFFFAOYSA-N	-1	0	277.320	2.649	20	30		CFEDRM
C=C[C@H](CC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccccc1	ZINC000263261081	330050855	/nfs/dbraw/zinc/05/08/55/330050855.db2.gz	MKPZCGXWEOHPGC-CHWSQXEVSA-N	-1	0	287.359	2.810	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000263265116	330051175	/nfs/dbraw/zinc/05/11/75/330051175.db2.gz	VGWBRRXVLNPXFJ-SNVBAGLBSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263333401	330052535	/nfs/dbraw/zinc/05/25/35/330052535.db2.gz	QJJIAQDXRAEPQP-VXGBXAGGSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000263507356	330058446	/nfs/dbraw/zinc/05/84/46/330058446.db2.gz	BLWKALZKUSXVEM-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000263537102	330059171	/nfs/dbraw/zinc/05/91/71/330059171.db2.gz	PBRAXHJAEJKDFA-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436891010	330687911	/nfs/dbraw/zinc/68/79/11/330687911.db2.gz	DVUYITZUCWTNKT-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=CCC[C@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)[O-]	ZINC000448991626	330890437	/nfs/dbraw/zinc/89/04/37/330890437.db2.gz	JLWFWHIRAGRLMZ-VSKVDJIOSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-]c1scnc1C(C)C	ZINC000451102025	331015494	/nfs/dbraw/zinc/01/54/94/331015494.db2.gz	HEKJFBAXSVVXNP-UHFFFAOYSA-N	-1	0	260.384	2.584	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C)cs2)n1	ZINC000453586945	331135121	/nfs/dbraw/zinc/13/51/21/331135121.db2.gz	JYMBRDAUJUUWAI-NSHDSACASA-N	-1	0	271.345	2.899	20	30		CFEDRM
C=CCC1(CNC(=O)c2ccc3n[nH]nc3c2)CCCC1	ZINC000456485248	331193812	/nfs/dbraw/zinc/19/38/12/331193812.db2.gz	LDDRZLCQKPOYFX-UHFFFAOYSA-N	-1	0	284.363	2.824	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000493127005	332427328	/nfs/dbraw/zinc/42/73/28/332427328.db2.gz	ZYMPCBYKCZUHNN-OEYXZAGESA-N	-1	0	265.353	2.659	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnn2C(F)F)n1	ZINC000522014524	333230219	/nfs/dbraw/zinc/23/02/19/333230219.db2.gz	NWWAGQHLKYWGPW-SSDOTTSWSA-N	-1	0	282.275	2.533	20	30		CFEDRM
C=CCCC[C@H](C)N=c1[n-]c([C@H](C)OC)ns1	ZINC000337878618	335130822	/nfs/dbraw/zinc/13/08/22/335130822.db2.gz	SJWZSVTWUJXVHC-UWVGGRQHSA-N	-1	0	255.387	2.824	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000227519416	333284594	/nfs/dbraw/zinc/28/45/94/333284594.db2.gz	WAVUOHBDLJRJHQ-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
C=CC1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1	ZINC000576163159	335163194	/nfs/dbraw/zinc/16/31/94/335163194.db2.gz	BGIMIMOPMRMAKC-UHFFFAOYSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000565226345	334546160	/nfs/dbraw/zinc/54/61/60/334546160.db2.gz	ZTRXHZNTHCINOK-NSHDSACASA-N	-1	0	281.377	2.764	20	30		CFEDRM
C=CCC[C@H](NC(=O)CO[C@@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000569021975	334851967	/nfs/dbraw/zinc/85/19/67/334851967.db2.gz	PSEXWNNKDUUMOZ-HZSPNIEDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000577458611	335354188	/nfs/dbraw/zinc/35/41/88/335354188.db2.gz	UVKBVZUZGYTPMM-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243324263	782138469	/nfs/dbraw/zinc/13/84/69/782138469.db2.gz	XNLDSQUZRBSHML-UHFFFAOYSA-N	-1	0	298.689	2.547	20	30		CFEDRM
N#Cc1ccc(-c2ccc([O-])c(F)c2F)nc1F	ZINC001243338311	782141605	/nfs/dbraw/zinc/14/16/05/782141605.db2.gz	CBDPLPSASIXUQM-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1cnc(-c2ccc([O-])c(F)c2F)c(/C=N/O)c1	ZINC001243341051	782146055	/nfs/dbraw/zinc/14/60/55/782146055.db2.gz	YOERCJGYBGDALR-UBKPWBPPSA-N	-1	0	264.231	2.849	20	30		CFEDRM
CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000352753141	534188336	/nfs/dbraw/zinc/18/83/36/534188336.db2.gz	MCPOMIZHKIIGGI-JTQLQIEISA-N	-1	0	287.344	2.898	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)[O-]	ZINC000127755069	519211783	/nfs/dbraw/zinc/21/17/83/519211783.db2.gz	KTLABLIOVODJSY-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
CC(C)C[C@@H](CNc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000094703406	519211850	/nfs/dbraw/zinc/21/18/50/519211850.db2.gz	ZKPRYPIWGDNPKU-ZDUSSCGKSA-N	-1	0	287.363	2.601	20	30		CFEDRM
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000334185946	523995204	/nfs/dbraw/zinc/99/52/04/523995204.db2.gz	GOEDABAZWZYCMQ-UHFFFAOYSA-N	-1	0	276.317	2.514	20	30		CFEDRM
Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000360459248	525665548	/nfs/dbraw/zinc/66/55/48/525665548.db2.gz	KDRLKBNYSIJQOL-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
C=CCOc1cccc(NC(=O)CC(C)(C)C(=O)[O-])c1	ZINC000236798879	534884226	/nfs/dbraw/zinc/88/42/26/534884226.db2.gz	RFQPEVWUKWGXDN-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000353168969	527053910	/nfs/dbraw/zinc/05/39/10/527053910.db2.gz	NMGQVNVPYJGXEW-SECBINFHSA-N	-1	0	293.310	2.737	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H]2CCC[C@@H](C)C2)[n-]n1	ZINC000330007442	528130630	/nfs/dbraw/zinc/13/06/30/528130630.db2.gz	FVWVCCLCKYDWGF-VXGBXAGGSA-N	-1	0	292.383	2.590	20	30		CFEDRM
COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000435337667	536571230	/nfs/dbraw/zinc/57/12/30/536571230.db2.gz	XRQVYPRUOAJOOQ-NTMALXAHSA-N	-1	0	281.315	2.519	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CC=CCC2)c1	ZINC000935108195	649876598	/nfs/dbraw/zinc/87/65/98/649876598.db2.gz	NEHJLSJFTDOZCQ-NSHDSACASA-N	-1	0	256.305	2.949	20	30		CFEDRM
N#CCCCNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935337911	649898859	/nfs/dbraw/zinc/89/88/59/649898859.db2.gz	AQZDIGUPYMZKTQ-UHFFFAOYSA-N	-1	0	273.119	2.733	20	30		CFEDRM
N#Cc1c(F)cccc1NCCCN(C(=O)[O-])C1CC1	ZINC000740310862	574055951	/nfs/dbraw/zinc/05/59/51/574055951.db2.gz	KOGIKFVRDAITGO-UHFFFAOYSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cc(F)c(NC[C@@H]2CCCN(C(=O)[O-])C2)c(F)c1	ZINC000740311326	574056099	/nfs/dbraw/zinc/05/60/99/574056099.db2.gz	PVCRHVGDMHDDRS-VIFPVBQESA-N	-1	0	295.289	2.638	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000736462897	574056162	/nfs/dbraw/zinc/05/61/62/574056162.db2.gz	FSVPGGNFGZRGBP-UHFFFAOYSA-N	-1	0	275.308	2.541	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCCCOc1ccc(C#N)cc1	ZINC000736553207	574059839	/nfs/dbraw/zinc/05/98/39/574059839.db2.gz	UYOJHCMVILGNJU-LLVKDONJSA-N	-1	0	279.361	2.924	20	30		CFEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000736772635	574071645	/nfs/dbraw/zinc/07/16/45/574071645.db2.gz	GSPOMHIGJXKBIZ-OTYXRUKQSA-N	-1	0	292.360	2.649	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000738470023	574076440	/nfs/dbraw/zinc/07/64/40/574076440.db2.gz	GXXUTVRXSLYIPV-MCIONIFRSA-N	-1	0	294.395	2.722	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738470533	574076474	/nfs/dbraw/zinc/07/64/74/574076474.db2.gz	JJWOHNCQGWMVAX-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
N#CCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000744515862	574078939	/nfs/dbraw/zinc/07/89/39/574078939.db2.gz	BCZJIYUKTJGOSA-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CCC2)c1[O-]	ZINC000730464002	574082418	/nfs/dbraw/zinc/08/24/18/574082418.db2.gz	BNIFZQWYTAOACP-AWNIVKPZSA-N	-1	0	254.673	2.925	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736983959	574091611	/nfs/dbraw/zinc/09/16/11/574091611.db2.gz	SWWWZURFUOMBGJ-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000738493048	574095263	/nfs/dbraw/zinc/09/52/63/574095263.db2.gz	JFAUWYOROUADRW-IHRRRGAJSA-N	-1	0	294.395	2.722	20	30		CFEDRM
O=C([O-])N1CCCC[C@@H](/N=C\c2cc(Cl)ccc2O)C1	ZINC000740520648	574104350	/nfs/dbraw/zinc/10/43/50/574104350.db2.gz	SUUZQASTGHCEDF-VJMCZWTHSA-N	-1	0	296.754	2.997	20	30		CFEDRM
COc1cccc(O)c1/C=N/C[C@H](CC(C)C)C(=O)[O-]	ZINC000738105595	574108553	/nfs/dbraw/zinc/10/85/53/574108553.db2.gz	DTBRJDUEPLNGNB-UJFYRASASA-N	-1	0	279.336	2.567	20	30		CFEDRM
CCN(Cc1ccc(F)cc1C(=O)[O-])C[C@H](C)C#N	ZINC000737107000	574112891	/nfs/dbraw/zinc/11/28/91/574112891.db2.gz	ZYVLHBWVAHDZFL-SNVBAGLBSA-N	-1	0	264.300	2.505	20	30		CFEDRM
CCOc1ccc(/C=N/C[C@@H](CC(C)C)C(=O)[O-])c(O)c1	ZINC000737198696	574118259	/nfs/dbraw/zinc/11/82/59/574118259.db2.gz	FJPWPRPESBVFSZ-LFMVTYOGSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CN(Cc1ccc(NC[C@H](C#N)CCC#N)cc1)C(=O)[O-]	ZINC000737485840	574144410	/nfs/dbraw/zinc/14/44/10/574144410.db2.gz	HXDVGSDZTNKCEY-ZDUSSCGKSA-N	-1	0	286.335	2.652	20	30		CFEDRM
CO[C@@]1(C)CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000746557722	574154641	/nfs/dbraw/zinc/15/46/41/574154641.db2.gz	KWWJTOFIMBECFE-HNNXBMFYSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C[C@H](Oc1cccc(C=NNCc2ccccc2)c1)C(=O)[O-]	ZINC000746681314	574162785	/nfs/dbraw/zinc/16/27/85/574162785.db2.gz	BFRSNHXRLAJQDJ-ZDUSSCGKSA-N	-1	0	298.342	2.662	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H]2CCc3ccccc32)n1	ZINC000755463819	574163718	/nfs/dbraw/zinc/16/37/18/574163718.db2.gz	MOXWUVILXLNTAS-GFCCVEGCSA-N	-1	0	268.320	2.618	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCOCC2)n1	ZINC000732707845	574166226	/nfs/dbraw/zinc/16/62/26/574166226.db2.gz	HCGZLDJMPPAFPK-DLGQBQFBSA-N	-1	0	276.361	2.611	20	30		CFEDRM
N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2o1	ZINC000732708031	574166296	/nfs/dbraw/zinc/16/62/96/574166296.db2.gz	JSKUSKYTOUYEGH-URWSZGRFSA-N	-1	0	296.326	2.987	20	30		CFEDRM
N#C[C@H](C(=O)C=CC1CCOCC1)c1nc2ccccc2[nH]1	ZINC000732708971	574166775	/nfs/dbraw/zinc/16/67/75/574166775.db2.gz	WFIOVWAUJOTXAT-CFHLNLSMSA-N	-1	0	295.342	2.722	20	30		CFEDRM
C=C(C)CN(CC)C(=O)NCC1(NC(=O)[O-])CCCCC1	ZINC000738470591	574170127	/nfs/dbraw/zinc/17/01/27/574170127.db2.gz	KWPUQVJBMNDDAN-UHFFFAOYSA-N	-1	0	297.399	2.565	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cn1	ZINC000738467617	574170207	/nfs/dbraw/zinc/17/02/07/574170207.db2.gz	ODRKKPOGBOVQBV-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738488865	574170725	/nfs/dbraw/zinc/17/07/25/574170725.db2.gz	OCOMWIUFTWUFRB-JOYOIKCWSA-N	-1	0	296.754	2.730	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738488306	574170746	/nfs/dbraw/zinc/17/07/46/574170746.db2.gz	IJUFMMLXYWEVAZ-OCCSQVGLSA-N	-1	0	290.363	2.856	20	30		CFEDRM
Cn1c(C=NNc2ccccc2C(=O)[O-])nc2ccccc21	ZINC000755601396	574171051	/nfs/dbraw/zinc/17/10/51/574171051.db2.gz	ODKAPPWQXRDHJH-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)CC#N)c12	ZINC000738866523	574188502	/nfs/dbraw/zinc/18/85/02/574188502.db2.gz	SIZATIMDZHHMSZ-LURJTMIESA-N	-1	0	290.348	2.720	20	30		CFEDRM
C[C@H](NC(=O)[O-])C1CCN(c2cccc(F)c2C#N)CC1	ZINC000739017027	574193233	/nfs/dbraw/zinc/19/32/33/574193233.db2.gz	MIAABHXBCUAJFP-JTQLQIEISA-N	-1	0	291.326	2.570	20	30		CFEDRM
C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739039268	574194036	/nfs/dbraw/zinc/19/40/36/574194036.db2.gz	ZPKYLYSNUBQMBJ-GHMZBOCLSA-N	-1	0	291.326	2.888	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739093262	574198081	/nfs/dbraw/zinc/19/80/81/574198081.db2.gz	NNTPEENNMHWCQG-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739093259	574198100	/nfs/dbraw/zinc/19/81/00/574198100.db2.gz	NNTPEENNMHWCQG-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)/C=C/c2ccco2)C(=O)[O-])cc1	ZINC000739107287	574198709	/nfs/dbraw/zinc/19/87/09/574198709.db2.gz	AIFNKOCDTGIQRW-MVGZEHJDSA-N	-1	0	297.266	2.534	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccco2)C(=O)[O-])cc1	ZINC000739107290	574198715	/nfs/dbraw/zinc/19/87/15/574198715.db2.gz	AIFNKOCDTGIQRW-ZPIQOJFGSA-N	-1	0	297.266	2.534	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1	ZINC000739132995	574199612	/nfs/dbraw/zinc/19/96/12/574199612.db2.gz	XXJHIBWUAJASHB-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1cccc(CNC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000739133889	574199697	/nfs/dbraw/zinc/19/96/97/574199697.db2.gz	RGFRUXAESBOBRY-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
CCCCCCCC(=O)N1CCN(C(=O)[O-])C[C@H]1C	ZINC000739329521	574208387	/nfs/dbraw/zinc/20/83/87/574208387.db2.gz	ITRFXZPZKMHMIL-GFCCVEGCSA-N	-1	0	270.373	2.558	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2cccc(O)c2)c1	ZINC000733206563	574211813	/nfs/dbraw/zinc/21/18/13/574211813.db2.gz	NRYUJGUBTNOVCH-FPLPWBNLSA-N	-1	0	298.294	2.752	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([C@H](C)CC)cc1	ZINC000756232951	574217582	/nfs/dbraw/zinc/21/75/82/574217582.db2.gz	IBJXQFUIYZPELF-DOMZBBRYSA-N	-1	0	284.359	2.825	20	30		CFEDRM
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748003454	574224552	/nfs/dbraw/zinc/22/45/52/574224552.db2.gz	VXVBTSYQLUFQNV-NHYWBVRUSA-N	-1	0	288.347	2.798	20	30		CFEDRM
N#Cc1csc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000748076418	574227344	/nfs/dbraw/zinc/22/73/44/574227344.db2.gz	QKAHLQYANVYBSW-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)o1	ZINC000740124464	574237425	/nfs/dbraw/zinc/23/74/25/574237425.db2.gz	ZZFXIPJIRVCVJT-CLFYSBASSA-N	-1	0	272.231	2.939	20	30		CFEDRM
Cn1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000748284674	574245278	/nfs/dbraw/zinc/24/52/78/574245278.db2.gz	DTUYTGKUNDTQRP-VIZOYTHASA-N	-1	0	293.710	2.911	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000740310062	574246801	/nfs/dbraw/zinc/24/68/01/574246801.db2.gz	ANKRTMSQESYVIQ-BXKDBHETSA-N	-1	0	277.299	2.546	20	30		CFEDRM
N#Cc1ccc(Oc2cccc(CNC(=O)[O-])c2)nc1	ZINC000740322025	574247203	/nfs/dbraw/zinc/24/72/03/574247203.db2.gz	YSLMNZSPGGNEOE-UHFFFAOYSA-N	-1	0	269.260	2.513	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1C/N=C/c1cc(Cl)ccc1O	ZINC000740518925	574253075	/nfs/dbraw/zinc/25/30/75/574253075.db2.gz	GMRMODCBHAGEFZ-BXRZMRDGSA-N	-1	0	282.727	2.607	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1C/N=C/c1cc(Cl)ccc1O	ZINC000740518926	574253138	/nfs/dbraw/zinc/25/31/38/574253138.db2.gz	GMRMODCBHAGEFZ-LBMJDHPKSA-N	-1	0	282.727	2.607	20	30		CFEDRM
O=C([O-])N1CCCC[C@H](/N=C\c2cc(Cl)ccc2O)C1	ZINC000740520646	574253739	/nfs/dbraw/zinc/25/37/39/574253739.db2.gz	SUUZQASTGHCEDF-LUMBYOQCSA-N	-1	0	296.754	2.997	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1=NOCc1ccccc1	ZINC000740619131	574258420	/nfs/dbraw/zinc/25/84/20/574258420.db2.gz	CEANHOUVPUAEGI-LBPRGKRZSA-N	-1	0	262.309	2.627	20	30		CFEDRM
Cc1ncsc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749592019	574301016	/nfs/dbraw/zinc/30/10/16/574301016.db2.gz	XGCOZLPLTRRNRJ-PLNGDYQASA-N	-1	0	290.300	2.961	20	30		CFEDRM
O=C(/C=C\c1nccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749590457	574301053	/nfs/dbraw/zinc/30/10/53/574301053.db2.gz	MWSMCEVMIQVPMI-ARJAWSKDSA-N	-1	0	276.273	2.653	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc3ncccc32)[nH]1	ZINC000749815950	574310673	/nfs/dbraw/zinc/31/06/73/574310673.db2.gz	SXFUELHEUVVDLC-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
C[C@H](Cc1ccncc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749844082	574312667	/nfs/dbraw/zinc/31/26/67/574312667.db2.gz	HCOBDZUFAVLZSE-VBYYMIJXSA-N	-1	0	285.303	2.746	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2nc3ccccc3[nH]2)cc1F	ZINC000749857358	574313010	/nfs/dbraw/zinc/31/30/10/574313010.db2.gz	CUSKIYGPMYLFNF-UHFFFAOYSA-N	-1	0	288.257	2.993	20	30		CFEDRM
C=CCCCSCCOc1ccccc1-c1nn[nH]n1	ZINC000735412951	574322820	/nfs/dbraw/zinc/32/28/20/574322820.db2.gz	NGIJIDPCXUNBDE-UHFFFAOYSA-N	-1	0	290.392	2.945	20	30		CFEDRM
C=CCCN(CC(C)C)c1ccc(-c2nn[nH]n2)cc1	ZINC000735413706	574322983	/nfs/dbraw/zinc/32/29/83/574322983.db2.gz	YHINSTLCVPNLSB-UHFFFAOYSA-N	-1	0	271.368	2.905	20	30		CFEDRM
C=CCCCOc1ccc(-c2nn[nH]n2)cc1Cl	ZINC000735412624	574322994	/nfs/dbraw/zinc/32/29/94/574322994.db2.gz	FUDVODNAPSLZLR-UHFFFAOYSA-N	-1	0	264.716	2.865	20	30		CFEDRM
O=C1c2ccccc2O/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000742435448	574330395	/nfs/dbraw/zinc/33/03/95/574330395.db2.gz	BFUIMRZWCNMAPC-RIYZIHGNSA-N	-1	0	283.239	2.917	20	30		CFEDRM
C#CC[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccn1	ZINC000736077364	574350064	/nfs/dbraw/zinc/35/00/64/574350064.db2.gz	SALDFFIPXMUUOX-HNNXBMFYSA-N	-1	0	295.294	2.701	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736108016	574350361	/nfs/dbraw/zinc/35/03/61/574350361.db2.gz	GKAFWFJDKFEEIZ-UHFFFAOYSA-N	-1	0	289.335	2.660	20	30		CFEDRM
C=C(Cl)CN(CC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000736094694	574350792	/nfs/dbraw/zinc/35/07/92/574350792.db2.gz	RFZYVHDKOCEEAZ-UHFFFAOYSA-N	-1	0	275.682	2.604	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736096062	574351269	/nfs/dbraw/zinc/35/12/69/574351269.db2.gz	HGDBXACUNPVUFK-SNVBAGLBSA-N	-1	0	277.324	2.887	20	30		CFEDRM
C=CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccncc1	ZINC000736097000	574351282	/nfs/dbraw/zinc/35/12/82/574351282.db2.gz	VEAYOJLCEINPBA-HNNXBMFYSA-N	-1	0	296.326	2.827	20	30		CFEDRM
C=CCn1c(SCCC(=O)[O-])nnc1-c1ccoc1C	ZINC000736116574	574351638	/nfs/dbraw/zinc/35/16/38/574351638.db2.gz	CCOKUCDODSMFCY-UHFFFAOYSA-N	-1	0	293.348	2.599	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000755825185	574352374	/nfs/dbraw/zinc/35/23/74/574352374.db2.gz	VJIVQUSJPSCDKN-ZDUSSCGKSA-N	-1	0	280.280	2.568	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000736248226	574356592	/nfs/dbraw/zinc/35/65/92/574356592.db2.gz	HKRRQRGGNUKUOF-QWHCGFSZSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCC(=O)[O-])cc1	ZINC000736297096	574360523	/nfs/dbraw/zinc/36/05/23/574360523.db2.gz	MVHDFAGBSNEXRJ-ZDUSSCGKSA-N	-1	0	288.347	2.530	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000398198765	574363665	/nfs/dbraw/zinc/36/36/65/574363665.db2.gz	DPOJZYZTUYBFSM-STQMWFEESA-N	-1	0	282.384	2.770	20	30		CFEDRM
CC(C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736355656	574364556	/nfs/dbraw/zinc/36/45/56/574364556.db2.gz	RLAFNWRQMFZNMN-GXFFZTMASA-N	-1	0	275.304	2.519	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc3c(c2)CCO3)c1	ZINC000750949767	574365178	/nfs/dbraw/zinc/36/51/78/574365178.db2.gz	IWOHTUBQWJQNTR-LICLKQGHSA-N	-1	0	298.298	2.854	20	30		CFEDRM
Cn1cnc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc21	ZINC000743501834	574367384	/nfs/dbraw/zinc/36/73/84/574367384.db2.gz	RTVCAVFERWABAW-UHFFFAOYSA-N	-1	0	296.286	2.938	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc(F)cc1	ZINC000751131851	574369775	/nfs/dbraw/zinc/36/97/75/574369775.db2.gz	UIWICNXLHDZCKQ-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NOCc1ccccc1	ZINC000751130290	574369869	/nfs/dbraw/zinc/36/98/69/574369869.db2.gz	GMXHOFFTFFGKCW-UHFFFAOYSA-N	-1	0	272.260	2.851	20	30		CFEDRM
CCc1ncc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000752157792	574388524	/nfs/dbraw/zinc/38/85/24/574388524.db2.gz	QGKDDLOAPPLPLW-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
CCCCCC[C@H](C)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814859058	601797751	/nfs/dbraw/zinc/79/77/51/601797751.db2.gz	MKEKKLIAEAZJKY-NSHDSACASA-N	-1	0	265.357	2.995	20	30		CFEDRM
COc1cccc(/C=N\Cc2ccc(C(=O)[O-])cc2)c1O	ZINC000818620666	597165067	/nfs/dbraw/zinc/16/50/67/597165067.db2.gz	LGFOUIGUBJZJOL-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000909517597	618540187	/nfs/dbraw/zinc/54/01/87/618540187.db2.gz	JUSPMOBEJRDHQR-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
Cc1cc(NCc2ccnc(C#N)c2)ccc1C(=O)[O-]	ZINC000821041642	597463312	/nfs/dbraw/zinc/46/33/12/597463312.db2.gz	CIJWQMMNHJCXNS-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C2CC2)cc1	ZINC000819847618	597607764	/nfs/dbraw/zinc/60/77/64/597607764.db2.gz	NSAXPFNJNKPTHQ-OAHLLOKOSA-N	-1	0	272.304	2.507	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(C2CC2)cc1	ZINC000819847615	597607966	/nfs/dbraw/zinc/60/79/66/597607966.db2.gz	NSAXPFNJNKPTHQ-HNNXBMFYSA-N	-1	0	272.304	2.507	20	30		CFEDRM
CCc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1CC	ZINC000820479926	597609795	/nfs/dbraw/zinc/60/97/95/597609795.db2.gz	JYEFFHKFQCVTIX-INIZCTEOSA-N	-1	0	288.347	2.754	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1c(F)cccc1Cl	ZINC000819874535	597625650	/nfs/dbraw/zinc/62/56/50/597625650.db2.gz	MFQBKOZHXVPHEO-CYBMUJFWSA-N	-1	0	299.685	2.527	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000909384039	619039840	/nfs/dbraw/zinc/03/98/40/619039840.db2.gz	WVAYNFGOQDHBBQ-CYBMUJFWSA-N	-1	0	255.358	2.596	20	30		CFEDRM
Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl	ZINC000821087867	598221619	/nfs/dbraw/zinc/22/16/19/598221619.db2.gz	HVODTBGWYKGGPQ-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Cl	ZINC000820113882	598222343	/nfs/dbraw/zinc/22/23/43/598222343.db2.gz	HWNNRGKCPJSKAX-YMTOWFKASA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1cc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(C)s1	ZINC000820963806	598224042	/nfs/dbraw/zinc/22/40/42/598224042.db2.gz	VPIRCZMYCIHUEM-LKFCYVNXSA-N	-1	0	294.376	2.547	20	30		CFEDRM
CC(C)(C)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819811367	598227866	/nfs/dbraw/zinc/22/78/66/598227866.db2.gz	NHGIUBRRFRUOLP-WBMJQRKESA-N	-1	0	294.395	2.666	20	30		CFEDRM
N#Cc1cc(F)ccc1CN[C@H](C(=O)[O-])c1ccccc1	ZINC000071264012	599785679	/nfs/dbraw/zinc/78/56/79/599785679.db2.gz	OQOGSLAZOIPOBC-HNNXBMFYSA-N	-1	0	284.290	2.613	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCCC1	ZINC000739065807	600088875	/nfs/dbraw/zinc/08/88/75/600088875.db2.gz	BWBPYRDHTULZGY-UHFFFAOYSA-N	-1	0	291.282	2.938	20	30		CFEDRM
N#Cc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1	ZINC000200983385	600113173	/nfs/dbraw/zinc/11/31/73/600113173.db2.gz	WLODOTZEWBRXCB-UHFFFAOYSA-N	-1	0	291.266	2.973	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000163169694	600268398	/nfs/dbraw/zinc/26/83/98/600268398.db2.gz	ZDUQNJJKPKLNFB-QMMMGPOBSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000161175656	600277847	/nfs/dbraw/zinc/27/78/47/600277847.db2.gz	KKSGRVVROYHZFM-UHFFFAOYSA-N	-1	0	282.727	2.578	20	30		CFEDRM
N#Cc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1	ZINC000006251104	600693664	/nfs/dbraw/zinc/69/36/64/600693664.db2.gz	JBRUSCLLJJVLGA-UHFFFAOYSA-N	-1	0	291.266	2.973	20	30		CFEDRM
C#CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000238121950	600822182	/nfs/dbraw/zinc/82/21/82/600822182.db2.gz	IEJJGJKFBZKVJX-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
N#Cc1ccccc1Oc1ccc(NCC(=O)[O-])cc1F	ZINC000833077110	600845955	/nfs/dbraw/zinc/84/59/55/600845955.db2.gz	ZEXLBIHGPOFWFS-UHFFFAOYSA-N	-1	0	286.262	2.986	20	30		CFEDRM
C#CCCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000229854098	601089972	/nfs/dbraw/zinc/08/99/72/601089972.db2.gz	OILPCIZHYLPFLU-UHFFFAOYSA-N	-1	0	288.347	2.584	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)C(C)C	ZINC000825600380	601194400	/nfs/dbraw/zinc/19/44/00/601194400.db2.gz	MCOKUOIDAJXYBE-ZDUSSCGKSA-N	-1	0	260.289	2.590	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)s1	ZINC000833071469	601200391	/nfs/dbraw/zinc/20/03/91/601200391.db2.gz	GCUBKTUYOSUNMR-ONEGZZNKSA-N	-1	0	256.286	2.883	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccsc2C(=O)[O-])s1	ZINC000833072170	601276136	/nfs/dbraw/zinc/27/61/36/601276136.db2.gz	PKHAFKLTLTZAMN-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccoc1C(=O)[O-])C2	ZINC000832487157	601294274	/nfs/dbraw/zinc/29/42/74/601294274.db2.gz	UMMNPKKNSSBWGP-XFFZJAGNSA-N	-1	0	284.267	2.809	20	30		CFEDRM
N#Cc1cccc([C@@H](Nc2ccc(F)cc2)C(=O)[O-])c1	ZINC000833074560	601297915	/nfs/dbraw/zinc/29/79/15/601297915.db2.gz	ANLHIDWFYKAEFX-CQSZACIVSA-N	-1	0	270.263	2.935	20	30		CFEDRM
N#Cc1cccc([C@H](NCc2cccs2)C(=O)[O-])c1	ZINC000833076277	601298259	/nfs/dbraw/zinc/29/82/59/601298259.db2.gz	SYLVXPVEIMUNLC-ZDUSSCGKSA-N	-1	0	272.329	2.535	20	30		CFEDRM
Cc1noc(C)c1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833020006	601305513	/nfs/dbraw/zinc/30/55/13/601305513.db2.gz	KAOJEMWVZIACNG-RFAUZJTJSA-N	-1	0	299.330	2.640	20	30		CFEDRM
CN(CCC#N)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000830723551	601323757	/nfs/dbraw/zinc/32/37/57/601323757.db2.gz	XZIXLDXVWQGWSP-NSHDSACASA-N	-1	0	287.146	2.965	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCOc3ccccc3C2=O)[nH]1	ZINC000833312545	601332144	/nfs/dbraw/zinc/33/21/44/601332144.db2.gz	QKTAXKBMSDSFDY-MDZDMXLPSA-N	-1	0	283.283	2.762	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\COc3ccc(F)cc3C2=O)[nH]1	ZINC000833312211	601332716	/nfs/dbraw/zinc/33/27/16/601332716.db2.gz	MDYUFSZNLIILPG-VMPITWQZSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)[nH]1	ZINC000833095629	601332880	/nfs/dbraw/zinc/33/28/80/601332880.db2.gz	WCRGTZUJRGXUEQ-GQCTYLIASA-N	-1	0	283.283	2.639	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc3cnccc32)[nH]1	ZINC000833312339	601337570	/nfs/dbraw/zinc/33/75/70/601337570.db2.gz	OBUMKHIIJMVJHL-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825671565	601355022	/nfs/dbraw/zinc/35/50/22/601355022.db2.gz	UNCRGRKKFJJXMY-AWEZNQCLSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000237496381	601394249	/nfs/dbraw/zinc/39/42/49/601394249.db2.gz	XMEOODLBPMBYNV-SMDDNHRTSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000825671215	601450753	/nfs/dbraw/zinc/45/07/53/601450753.db2.gz	GXZCKOGGPXHCFE-UHFFFAOYSA-N	-1	0	263.293	2.688	20	30		CFEDRM
CC[C@@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000818261578	601498556	/nfs/dbraw/zinc/49/85/56/601498556.db2.gz	RXHHKLHLEHYPLJ-WPBJZHHJSA-N	-1	0	257.289	2.828	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000262108346	601621281	/nfs/dbraw/zinc/62/12/81/601621281.db2.gz	NUIJSWRNUKWTEB-LBPRGKRZSA-N	-1	0	281.739	2.938	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000827212151	601622927	/nfs/dbraw/zinc/62/29/27/601622927.db2.gz	BQPSJPGRCCGDOM-MRVPVSSYSA-N	-1	0	294.286	2.681	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000063097621	601625477	/nfs/dbraw/zinc/62/54/77/601625477.db2.gz	MPJIEAAUHHJCKQ-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C#CCN(C(=O)Nc1cccc(C(=O)[O-])c1)C1CCCC1	ZINC000825608526	601626233	/nfs/dbraw/zinc/62/62/33/601626233.db2.gz	BDBSNDXWJJHYQQ-UHFFFAOYSA-N	-1	0	286.331	2.795	20	30		CFEDRM
C=C[C@@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000825653206	601680665	/nfs/dbraw/zinc/68/06/65/601680665.db2.gz	DRVUJKABPHPNCF-SKDRFNHKSA-N	-1	0	296.754	2.730	20	30		CFEDRM
CC(=O)Nc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000825912744	601790801	/nfs/dbraw/zinc/79/08/01/601790801.db2.gz	CCAUTMBHTJVXRP-WAYWQWQTSA-N	-1	0	298.298	2.567	20	30		CFEDRM
COc1ccc2c(c1)CC/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832493710	601791177	/nfs/dbraw/zinc/79/11/77/601791177.db2.gz	QPZAPIRSQGOVCL-SDQBBNPISA-N	-1	0	297.310	2.934	20	30		CFEDRM
COc1cc(C)ccc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000831967138	601791815	/nfs/dbraw/zinc/79/18/15/601791815.db2.gz	PJZKTQBTTLTPJA-GQCTYLIASA-N	-1	0	285.299	2.926	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)c(F)c2)c[nH]1	ZINC000833092525	601792185	/nfs/dbraw/zinc/79/21/85/601792185.db2.gz	HSRZXIXSMHYRJM-DAFODLJHSA-N	-1	0	277.226	2.887	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Oc3c(cccc3Cl)C2=O)c[nH]1	ZINC000833298293	601793551	/nfs/dbraw/zinc/79/35/51/601793551.db2.gz	RNTFOBVDGLJANA-VZUCSPMQSA-N	-1	0	289.674	2.983	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2F)c[nH]1	ZINC000833298483	601826062	/nfs/dbraw/zinc/82/60/62/601826062.db2.gz	WHSPTTVVPODWNJ-AATRIKPKSA-N	-1	0	259.236	2.748	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1	ZINC000832953680	601826089	/nfs/dbraw/zinc/82/60/89/601826089.db2.gz	YJRCCPXEOZMUSZ-UTCJRWHESA-N	-1	0	272.256	2.888	20	30		CFEDRM
C=CCn1c(C)nnc1SCc1ccc(C(=O)[O-])s1	ZINC000825706173	601844761	/nfs/dbraw/zinc/84/47/61/601844761.db2.gz	ZODAZXHEOFHQKJ-UHFFFAOYSA-N	-1	0	295.389	2.825	20	30		CFEDRM
Cc1ccc(F)c(NN=Cc2ccc(C(=O)[O-])[nH]2)c1	ZINC000759664182	601850508	/nfs/dbraw/zinc/85/05/08/601850508.db2.gz	JSBMUUOTZUGBBD-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
N#CCN(Cc1ccc(C(=O)[O-])s1)C1CCCC1	ZINC000833066592	601958705	/nfs/dbraw/zinc/95/87/05/601958705.db2.gz	BVBBIYOLJZZDMU-UHFFFAOYSA-N	-1	0	264.350	2.714	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(COC(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000825642341	602195005	/nfs/dbraw/zinc/19/50/05/602195005.db2.gz	PWCIWGGJBVPPBO-DGCLKSJQSA-N	-1	0	266.337	2.943	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825671239	602289025	/nfs/dbraw/zinc/28/90/25/602289025.db2.gz	IDZWQVHCNIWSSB-UHFFFAOYSA-N	-1	0	268.338	2.876	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H]1CNC(=O)[O-]	ZINC000826820908	603129865	/nfs/dbraw/zinc/12/98/65/603129865.db2.gz	PENJIZWDYZSHHD-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823496181	603194373	/nfs/dbraw/zinc/19/43/73/603194373.db2.gz	FCAZQEFBGQDFLO-NSHDSACASA-N	-1	0	292.335	2.546	20	30		CFEDRM
C=CCSCCNC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823516839	603427325	/nfs/dbraw/zinc/42/73/25/603427325.db2.gz	WQORZXYAPRIBSN-UHFFFAOYSA-N	-1	0	294.376	2.734	20	30		CFEDRM
Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1NC(=O)[O-]	ZINC000830237254	603486520	/nfs/dbraw/zinc/48/65/20/603486520.db2.gz	HBVABUJGVJXXCF-UHFFFAOYSA-N	-1	0	288.303	2.936	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNCCCc2ccccc2)cn1	ZINC000832841617	603488934	/nfs/dbraw/zinc/48/89/34/603488934.db2.gz	ZVMDOWHDATXJHX-UHFFFAOYSA-N	-1	0	298.346	2.728	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823496843	603657235	/nfs/dbraw/zinc/65/72/35/603657235.db2.gz	QDADIWNJQQKRLY-OLZOCXBDSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823490484	603725814	/nfs/dbraw/zinc/72/58/14/603725814.db2.gz	DKLYAVAMRYWNSP-SSDOTTSWSA-N	-1	0	298.726	2.743	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CCF)C(=O)[O-])c1	ZINC000900354749	620663658	/nfs/dbraw/zinc/66/36/58/620663658.db2.gz	ABCQTTJRLZFWOQ-LBPRGKRZSA-N	-1	0	280.299	2.654	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NNC3CCCC3)c21	ZINC000832079829	603823544	/nfs/dbraw/zinc/82/35/44/603823544.db2.gz	NYJYPYQTKPAQML-UHFFFAOYSA-N	-1	0	273.336	2.593	20	30		CFEDRM
C#Cc1ccc(NC(=O)N([C@H](CC)C(=O)[O-])C2CC2)cc1	ZINC000900355192	620664115	/nfs/dbraw/zinc/66/41/15/620664115.db2.gz	HMNBHWAKZYGSLG-CQSZACIVSA-N	-1	0	286.331	2.527	20	30		CFEDRM
C[C@@H](NN=CC1CCN(C(=O)[O-])CC1)c1ccccc1	ZINC000825502958	603857397	/nfs/dbraw/zinc/85/73/97/603857397.db2.gz	MRGLCFXKMLCIFJ-GFCCVEGCSA-N	-1	0	275.352	2.713	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1	ZINC000823496510	603869470	/nfs/dbraw/zinc/86/94/70/603869470.db2.gz	KKBYDHYPOKJGFH-ZIAGYGMSSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CCC)[C@H]1CCN(C(=O)[O-])C1	ZINC000823490717	604047942	/nfs/dbraw/zinc/04/79/42/604047942.db2.gz	KELBXMUWLJRNOR-AWEZNQCLSA-N	-1	0	294.395	2.746	20	30		CFEDRM
C#CCCCOC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823444604	604231868	/nfs/dbraw/zinc/23/18/68/604231868.db2.gz	NMNRRAJCUOVGOI-TZMCWYRMSA-N	-1	0	289.331	2.588	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)CC1(NC(=O)[O-])CCC1	ZINC000826705582	604261963	/nfs/dbraw/zinc/26/19/63/604261963.db2.gz	DFSPSOUKZFYBGN-UHFFFAOYSA-N	-1	0	295.383	2.546	20	30		CFEDRM
C=C(C)COC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823480611	604388033	/nfs/dbraw/zinc/38/80/33/604388033.db2.gz	IFAKHNKOQCIEGF-LLVKDONJSA-N	-1	0	269.341	2.522	20	30		CFEDRM
CC(C)(C)CC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833422181	604579931	/nfs/dbraw/zinc/57/99/31/604579931.db2.gz	CBNFNGPFRLTSAO-UHFFFAOYSA-N	-1	0	275.304	2.736	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1cc(C(=O)[O-])oc1C)OCC	ZINC000833368411	604596907	/nfs/dbraw/zinc/59/69/07/604596907.db2.gz	HIYPNJLTBRDGOC-LBPRGKRZSA-N	-1	0	296.319	2.701	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2nccs2)cc1	ZINC000833309831	604628260	/nfs/dbraw/zinc/62/82/60/604628260.db2.gz	GDDPIZXPEDISJV-WAYWQWQTSA-N	-1	0	259.286	2.737	20	30		CFEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000831856453	604629605	/nfs/dbraw/zinc/62/96/05/604629605.db2.gz	HNFZKQGCNYITED-MDZDMXLPSA-N	-1	0	298.294	2.995	20	30		CFEDRM
Cc1ccc(N=NC(C)[C@H](C)CCCCC(=O)[O-])nn1	ZINC000814840858	604638589	/nfs/dbraw/zinc/63/85/89/604638589.db2.gz	TUKNEJMTTAUKSR-SNVBAGLBSA-N	-1	0	278.356	2.854	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(OC(C)C)cc1	ZINC000042343254	620676619	/nfs/dbraw/zinc/67/66/19/620676619.db2.gz	MRWJFDSEWJGISS-UHFFFAOYSA-N	-1	0	299.392	2.908	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000776686332	604651007	/nfs/dbraw/zinc/65/10/07/604651007.db2.gz	MRANVRRFEDOFTJ-MRXNPFEDSA-N	-1	0	293.322	2.879	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1c(F)cccc1F	ZINC000763369444	604668515	/nfs/dbraw/zinc/66/85/15/604668515.db2.gz	WMUVKTSJOAQDFD-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000825660006	604717586	/nfs/dbraw/zinc/71/75/86/604717586.db2.gz	LKFKNLHENFEGCF-UHFFFAOYSA-N	-1	0	265.353	2.611	20	30		CFEDRM
C=C(Cl)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167301284	604773026	/nfs/dbraw/zinc/77/30/26/604773026.db2.gz	CDGBQQCLHVGWGI-LLVKDONJSA-N	-1	0	251.713	2.817	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000761644841	604778587	/nfs/dbraw/zinc/77/85/87/604778587.db2.gz	SYJZLDWIVVGGHQ-SWLSCSKDSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000833375472	604912095	/nfs/dbraw/zinc/91/20/95/604912095.db2.gz	ZQNPRSUBOPYXLL-UHFFFAOYSA-N	-1	0	275.308	2.959	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(NC(=O)[O-])c1)C1CC1	ZINC000833375283	604912394	/nfs/dbraw/zinc/91/23/94/604912394.db2.gz	NNWXFCNIQCGIOL-UHFFFAOYSA-N	-1	0	275.308	2.959	20	30		CFEDRM
C=CCCCC(=O)Nc1nc(CC)c(C(=O)[O-])s1	ZINC000833373568	604996013	/nfs/dbraw/zinc/99/60/13/604996013.db2.gz	SLXNTNMANBOOGL-UHFFFAOYSA-N	-1	0	268.338	2.699	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000236433400	605004800	/nfs/dbraw/zinc/00/48/00/605004800.db2.gz	IXPLZPUVGUDJKK-CQSZACIVSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C#CCCCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000833363039	605010600	/nfs/dbraw/zinc/01/06/00/605010600.db2.gz	XJRUDJIOPHSQNC-QGZVFWFLSA-N	-1	0	287.359	2.686	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccccc1	ZINC000833408500	605038489	/nfs/dbraw/zinc/03/84/89/605038489.db2.gz	ZDLWFXHXHMZOKH-LLVKDONJSA-N	-1	0	257.293	2.580	20	30		CFEDRM
C=CCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833376154	605038809	/nfs/dbraw/zinc/03/88/09/605038809.db2.gz	VCCTUJDVJHIBNQ-UHFFFAOYSA-N	-1	0	256.099	2.745	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833373812	605076856	/nfs/dbraw/zinc/07/68/56/605076856.db2.gz	DNPSVRLXJYCOGM-SNVBAGLBSA-N	-1	0	279.311	2.999	20	30		CFEDRM
CC(C)(C#N)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833413406	605078371	/nfs/dbraw/zinc/07/83/71/605078371.db2.gz	OHIFMHJEOGHTFO-XQRVVYSFSA-N	-1	0	289.291	2.654	20	30		CFEDRM
C#CCOc1ccccc1CNCc1cc(C(=O)[O-])c(C)o1	ZINC000833366622	605095160	/nfs/dbraw/zinc/09/51/60/605095160.db2.gz	FQUIQWBPUUUIAG-UHFFFAOYSA-N	-1	0	299.326	2.588	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccccc1O	ZINC000254628128	605097399	/nfs/dbraw/zinc/09/73/99/605097399.db2.gz	MHNIKHICCMHCPV-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc([N+](=O)[O-])cc1	ZINC000812443398	605099120	/nfs/dbraw/zinc/09/91/20/605099120.db2.gz	QXTNRPBXQFOGQC-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(OC)cc1C(=O)[O-])C(C)C	ZINC000132278507	605134986	/nfs/dbraw/zinc/13/49/86/605134986.db2.gz	QOVLODAQUWHAMU-UHFFFAOYSA-N	-1	0	292.335	2.822	20	30		CFEDRM
CC(C)(C)C[C@@H](Sc1cc(C#N)ccn1)C(=O)[O-]	ZINC000833429034	605152897	/nfs/dbraw/zinc/15/28/97/605152897.db2.gz	FVEXOHABOIRSCN-SNVBAGLBSA-N	-1	0	264.350	2.935	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc([N+](=O)[O-])s1	ZINC000782223683	605153581	/nfs/dbraw/zinc/15/35/81/605153581.db2.gz	VIXMSTJCSPIVNA-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
CC(C)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC000833470958	605222680	/nfs/dbraw/zinc/22/26/80/605222680.db2.gz	DKMFXDIFXJKMKH-CYBMUJFWSA-N	-1	0	287.315	2.508	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000833429907	605236915	/nfs/dbraw/zinc/23/69/15/605236915.db2.gz	QBZGPGWTLOEOCT-ZDUSSCGKSA-N	-1	0	289.331	2.799	20	30		CFEDRM
C=CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1	ZINC000388557792	605254880	/nfs/dbraw/zinc/25/48/80/605254880.db2.gz	YPSFRRMCCYXPAN-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833373127	605304382	/nfs/dbraw/zinc/30/43/82/605304382.db2.gz	GVPHCLHARXZKQO-UHFFFAOYSA-N	-1	0	252.245	2.820	20	30		CFEDRM
N#Cc1ccc(N=NC2CCC[C@@H]2NC(=O)[O-])cc1Cl	ZINC000833974438	605305859	/nfs/dbraw/zinc/30/58/59/605305859.db2.gz	IDSNTVUTTNXVHJ-NSHDSACASA-N	-1	0	292.726	2.800	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000833368975	605394966	/nfs/dbraw/zinc/39/49/66/605394966.db2.gz	YIGVWPRBQAXZQE-UHFFFAOYSA-N	-1	0	277.324	2.841	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])cc2)C1	ZINC000820200060	605416195	/nfs/dbraw/zinc/41/61/95/605416195.db2.gz	VFUQHZMJGHWNDH-HNNXBMFYSA-N	-1	0	258.321	2.510	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C#N)C2CC2)ccc1NC(=O)[O-]	ZINC000829971410	605424532	/nfs/dbraw/zinc/42/45/32/605424532.db2.gz	LMBUGFZXAFPOAE-GFCCVEGCSA-N	-1	0	274.276	2.544	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])N=Nc1ncccn1	ZINC000824758816	605474152	/nfs/dbraw/zinc/47/41/52/605474152.db2.gz	CNAYIHAXUAUWOW-GFCCVEGCSA-N	-1	0	291.355	2.577	20	30		CFEDRM
C=CCN(CCc1ccco1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000819713645	605474667	/nfs/dbraw/zinc/47/46/67/605474667.db2.gz	ZSBKZSAHXFNWHI-UHFFFAOYSA-N	-1	0	299.326	2.849	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000833852480	605555017	/nfs/dbraw/zinc/55/50/17/605555017.db2.gz	DWXRGMPIJBWIAM-OLZOCXBDSA-N	-1	0	284.400	2.852	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccc(CC(=O)[O-])cc1	ZINC000833361589	605575279	/nfs/dbraw/zinc/57/52/79/605575279.db2.gz	BYQCUSHQNLGCMI-UHFFFAOYSA-N	-1	0	274.316	2.803	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccccc1CC(=O)[O-]	ZINC000833361594	605616799	/nfs/dbraw/zinc/61/67/99/605616799.db2.gz	CJLOUURJJQTCQR-UHFFFAOYSA-N	-1	0	274.316	2.803	20	30		CFEDRM
CC1(C#N)CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC000833551006	605630718	/nfs/dbraw/zinc/63/07/18/605630718.db2.gz	FPEINMIJTOGUJL-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC[C@H](C)[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833639498	605672545	/nfs/dbraw/zinc/67/25/45/605672545.db2.gz	UYCQZNWKBFHLTC-WDMOLILDSA-N	-1	0	289.331	2.909	20	30		CFEDRM
CC(C)(C#N)C(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC000833407497	605813333	/nfs/dbraw/zinc/81/33/33/605813333.db2.gz	LSQRTJPNYLYAHM-UHFFFAOYSA-N	-1	0	281.695	2.631	20	30		CFEDRM
C=CCCCC(=O)N(CCC)C1CCN(C(=O)[O-])CC1	ZINC000823496923	605817139	/nfs/dbraw/zinc/81/71/39/605817139.db2.gz	SURSXWQDBALNBZ-UHFFFAOYSA-N	-1	0	282.384	2.724	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ccc(F)cc1F	ZINC000834170324	605857141	/nfs/dbraw/zinc/85/71/41/605857141.db2.gz	SXPYXQFEKWLJER-SNVBAGLBSA-N	-1	0	269.251	2.553	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cc(F)cc(F)c1	ZINC000834169445	605858765	/nfs/dbraw/zinc/85/87/65/605858765.db2.gz	MRNLJDZUOMNWEJ-SNVBAGLBSA-N	-1	0	269.251	2.553	20	30		CFEDRM
N#Cc1ccc(N2CCC3(C2)CCN(C(=O)[O-])CC3)cc1	ZINC000833975046	605862413	/nfs/dbraw/zinc/86/24/13/605862413.db2.gz	YYYPAUVJWZOGGF-UHFFFAOYSA-N	-1	0	285.347	2.529	20	30		CFEDRM
N#Cc1cc(NC[C@H](NC(=O)[O-])C2CC2)nc2ccccc12	ZINC000833975481	605921452	/nfs/dbraw/zinc/92/14/52/605921452.db2.gz	XQFPEIJDJXAJID-AWEZNQCLSA-N	-1	0	296.330	2.565	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](CNC(=O)[O-])C2)cc1Cl	ZINC000833973820	605949063	/nfs/dbraw/zinc/94/90/63/605949063.db2.gz	NSHRTNDKXCJYDE-SNVBAGLBSA-N	-1	0	293.754	2.696	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cc(F)cc(F)c2)CC1	ZINC000834097137	605992328	/nfs/dbraw/zinc/99/23/28/605992328.db2.gz	RHFRGRFGVQETCV-UHFFFAOYSA-N	-1	0	283.278	2.897	20	30		CFEDRM
N#Cc1cccc(N[C@H]2CCCN(C(=O)[O-])CC2)c1	ZINC000833976539	606014336	/nfs/dbraw/zinc/01/43/36/606014336.db2.gz	OBWXHFKBQCZRAF-LBPRGKRZSA-N	-1	0	259.309	2.503	20	30		CFEDRM
N#C[C@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C1CCCCC1	ZINC000833964666	606017889	/nfs/dbraw/zinc/01/78/89/606017889.db2.gz	MXCSXKDCNMHQMI-OLZOCXBDSA-N	-1	0	294.351	2.535	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccc(O)cc2C#N)c(C(=O)[O-])n1	ZINC000901032256	620744148	/nfs/dbraw/zinc/74/41/48/620744148.db2.gz	NTJIBKASNYSQSN-UHFFFAOYSA-N	-1	0	285.303	2.581	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000890552674	617646658	/nfs/dbraw/zinc/64/66/58/617646658.db2.gz	QLVNBXYZXLAJSR-VIFPVBQESA-N	-1	0	269.703	2.975	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000890555819	617648080	/nfs/dbraw/zinc/64/80/80/617648080.db2.gz	DGCJIQKJBNMXTH-SSDOTTSWSA-N	-1	0	271.238	2.600	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCCC2(F)F)c1	ZINC000806551125	617659622	/nfs/dbraw/zinc/65/96/22/617659622.db2.gz	IRGANPUKAHBQKS-URXIRXLPSA-N	-1	0	270.235	2.907	20	30		CFEDRM
COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1C#N	ZINC000254987012	617715386	/nfs/dbraw/zinc/71/53/86/617715386.db2.gz	UNKPLVIFXGVCQS-KXFIGUGUSA-N	-1	0	295.294	2.874	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2cc(F)ccc2[O-])n1	ZINC000811693028	617720831	/nfs/dbraw/zinc/72/08/31/617720831.db2.gz	JEPJGAHJOXLIOT-ONEGZZNKSA-N	-1	0	274.276	2.756	20	30		CFEDRM
Cn1nccc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000255032636	617769431	/nfs/dbraw/zinc/76/94/31/617769431.db2.gz	ZOXCVCVSQMNEOP-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CC(C)(C)C#CC(=O)NCc1cccc(Cl)c1O	ZINC000890761048	617839925	/nfs/dbraw/zinc/83/99/25/617839925.db2.gz	JIAXHEDEXAUKLF-UHFFFAOYSA-N	-1	0	265.740	2.711	20	30		CFEDRM
CCCSCC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000901205935	620764523	/nfs/dbraw/zinc/76/45/23/620764523.db2.gz	SFRVLALKKNZNJU-UHFFFAOYSA-N	-1	0	267.354	2.711	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1C)C1CC1	ZINC000048426993	617971909	/nfs/dbraw/zinc/97/19/09/617971909.db2.gz	IELJUXSMMALNEK-LUAWRHEFSA-N	-1	0	279.361	2.997	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](CCC)c2nnn[n-]2)CCCCC1	ZINC000934310499	617996025	/nfs/dbraw/zinc/99/60/25/617996025.db2.gz	BEDZOWRHNLNSAZ-GFCCVEGCSA-N	-1	0	291.399	2.684	20	30		CFEDRM
CC[C@H](C)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000901233101	620768504	/nfs/dbraw/zinc/76/85/04/620768504.db2.gz	HXBPPYYKRHUQGB-VIFPVBQESA-N	-1	0	259.309	2.588	20	30		CFEDRM
COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1C#N	ZINC000255140665	618003104	/nfs/dbraw/zinc/00/31/04/618003104.db2.gz	ZDJQVVHKXWVVCV-DJWKRKHSSA-N	-1	0	295.294	2.874	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccccc1SC(F)(F)F	ZINC000901247338	620771355	/nfs/dbraw/zinc/77/13/55/620771355.db2.gz	BHBGGKWMSHGRMN-UHFFFAOYSA-N	-1	0	292.282	2.697	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)CC1	ZINC000810983205	618095446	/nfs/dbraw/zinc/09/54/46/618095446.db2.gz	LMOMCSQLPRYZSE-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000237999481	618122929	/nfs/dbraw/zinc/12/29/29/618122929.db2.gz	AFXZEMWQYNVHRX-CYBMUJFWSA-N	-1	0	279.380	2.858	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CCC)cc1	ZINC000092466569	618180951	/nfs/dbraw/zinc/18/09/51/618180951.db2.gz	IJYTUTYPRGNOIK-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@H]1C	ZINC000073289749	618193285	/nfs/dbraw/zinc/19/32/85/618193285.db2.gz	KFHMDYFRLXYTGV-VXGBXAGGSA-N	-1	0	291.413	2.524	20	30		CFEDRM
COc1ccc(OC)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176820011	618205850	/nfs/dbraw/zinc/20/58/50/618205850.db2.gz	SXSWQMAHGYRQHF-UHFFFAOYSA-N	-1	0	298.298	2.533	20	30		CFEDRM
Cc1cccc(C)c1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176822812	618207039	/nfs/dbraw/zinc/20/70/39/618207039.db2.gz	FGYLFXDGGDKSFS-UHFFFAOYSA-N	-1	0	296.326	2.898	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCCc2ccccn2)c1	ZINC000176830400	618207850	/nfs/dbraw/zinc/20/78/50/618207850.db2.gz	YVCDFICSMXBNGO-UHFFFAOYSA-N	-1	0	281.315	2.620	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909423157	618247233	/nfs/dbraw/zinc/24/72/33/618247233.db2.gz	ISFWRRNMVJJSFX-WMLDXEAASA-N	-1	0	287.359	2.799	20	30		CFEDRM
C[C@@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1	ZINC000162452415	618320231	/nfs/dbraw/zinc/32/02/31/618320231.db2.gz	BEWWJIKTTCFIMD-SAGHTCLTSA-N	-1	0	278.308	2.675	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccccc2C#N)c1	ZINC000255844781	618338080	/nfs/dbraw/zinc/33/80/80/618338080.db2.gz	NJVARIAVRUATFC-VURMDHGXSA-N	-1	0	289.294	2.787	20	30		CFEDRM
CC(C)Nc1ncccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179728925	618343246	/nfs/dbraw/zinc/34/32/46/618343246.db2.gz	TWAYPXPUAJVFLL-UHFFFAOYSA-N	-1	0	296.330	2.731	20	30		CFEDRM
Cc1ncc(/C=C/C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000179735148	618343782	/nfs/dbraw/zinc/34/37/82/618343782.db2.gz	OABSLORJYODIKP-HWKANZROSA-N	-1	0	285.328	2.681	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CCCC)cc1	ZINC000092462359	618343998	/nfs/dbraw/zinc/34/39/98/618343998.db2.gz	CLVDOPJVARDUHM-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000179729827	618345352	/nfs/dbraw/zinc/34/53/52/618345352.db2.gz	WOKZASTZISMDTQ-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc2ccccc21	ZINC000092463575	618347327	/nfs/dbraw/zinc/34/73/27/618347327.db2.gz	PVIGJSXZPWIRCO-UHFFFAOYSA-N	-1	0	275.329	2.614	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909463260	618365187	/nfs/dbraw/zinc/36/51/87/618365187.db2.gz	VGEONQULLRXNMC-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909463323	618365846	/nfs/dbraw/zinc/36/58/46/618365846.db2.gz	OJICKSXPEXBPAC-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CCC)c1ccc(Cl)cc1	ZINC000855606428	618401462	/nfs/dbraw/zinc/40/14/62/618401462.db2.gz	HWKMTEMKFCSZJM-ZDUSSCGKSA-N	-1	0	265.740	2.905	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909491325	618417986	/nfs/dbraw/zinc/41/79/86/618417986.db2.gz	GMVSLDUTMFMGOJ-GFCCVEGCSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccccc1F	ZINC000856031292	618422779	/nfs/dbraw/zinc/42/27/79/618422779.db2.gz	KCBPFZFDXXSRHX-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909495348	618423227	/nfs/dbraw/zinc/42/32/27/618423227.db2.gz	QGVYDPTXGAYTPC-GFCCVEGCSA-N	-1	0	281.396	2.938	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOCC2CC2)c2ccccc21	ZINC000814243957	618471231	/nfs/dbraw/zinc/47/12/31/618471231.db2.gz	WBBAOPJHTYYKRK-ZDUSSCGKSA-N	-1	0	259.305	2.779	20	30		CFEDRM
C=CCCC[C@@H](C(=O)NCCC(=O)[O-])c1ccccc1	ZINC000901440318	620820810	/nfs/dbraw/zinc/82/08/10/620820810.db2.gz	ZNZVEICDTLXVKX-CQSZACIVSA-N	-1	0	275.348	2.717	20	30		CFEDRM
CC(C)(C)CCNN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000782903150	618664489	/nfs/dbraw/zinc/66/44/89/618664489.db2.gz	QGVHRUMVYDPLEF-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1C	ZINC000180734978	618671546	/nfs/dbraw/zinc/67/15/46/618671546.db2.gz	YKDIQUPQQKGEOL-LBPRGKRZSA-N	-1	0	292.404	2.994	20	30		CFEDRM
CC[C@@H](CNc1cccc(Br)c1C#N)C(=O)[O-]	ZINC000168404909	618716797	/nfs/dbraw/zinc/71/67/97/618716797.db2.gz	CNHKHLBXPKVJNC-QMMMGPOBSA-N	-1	0	297.152	2.843	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1	ZINC000909331182	618943073	/nfs/dbraw/zinc/94/30/73/618943073.db2.gz	DCGACGFLNUWREP-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000909333214	618950037	/nfs/dbraw/zinc/95/00/37/618950037.db2.gz	VBYKRARDDMQXQL-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000909384040	619040014	/nfs/dbraw/zinc/04/00/14/619040014.db2.gz	WVAYNFGOQDHBBQ-ZDUSSCGKSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC1	ZINC000077882026	619125656	/nfs/dbraw/zinc/12/56/56/619125656.db2.gz	ALLRNTRSZSVJLO-SNVBAGLBSA-N	-1	0	267.350	2.834	20	30		CFEDRM
CO[C@](C)(CN=Nc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000814680993	619254626	/nfs/dbraw/zinc/25/46/26/619254626.db2.gz	RLURZDLDFSJIJU-CQSZACIVSA-N	-1	0	262.309	2.598	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000048518192	619348651	/nfs/dbraw/zinc/34/86/51/619348651.db2.gz	PRNGKVYYVINIRQ-SSDOTTSWSA-N	-1	0	261.368	2.748	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)s1	ZINC000048519095	619349430	/nfs/dbraw/zinc/34/94/30/619349430.db2.gz	MXIZNCVEDPWGDZ-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1	ZINC000048519090	619349501	/nfs/dbraw/zinc/34/95/01/619349501.db2.gz	UVVWBXKIAIMGOQ-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519135	619349881	/nfs/dbraw/zinc/34/98/81/619349881.db2.gz	DRVDAPACAZSLTB-SNVBAGLBSA-N	-1	0	283.324	2.827	20	30		CFEDRM
C=CCC[C@H](NCc1ccc(O)c(F)c1)C(=O)OCC	ZINC000894758271	619458578	/nfs/dbraw/zinc/45/85/78/619458578.db2.gz	GDTQPMDIJPQJAY-ZDUSSCGKSA-N	-1	0	281.327	2.519	20	30		CFEDRM
N#Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000748779112	619501160	/nfs/dbraw/zinc/50/11/60/619501160.db2.gz	VMAQOSROVDPDNJ-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-]	ZINC000793059168	619506619	/nfs/dbraw/zinc/50/66/19/619506619.db2.gz	ZDPGBQBPTVFXIY-SNVBAGLBSA-N	-1	0	292.232	2.631	20	30		CFEDRM
COC(=O)c1ccc(O)c(C=NN[C@@H](C)C(C)(C)C)c1	ZINC000793114395	619510113	/nfs/dbraw/zinc/51/01/13/619510113.db2.gz	LTCCYRSUBVAVEN-JTQLQIEISA-N	-1	0	278.352	2.537	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000793157453	619528453	/nfs/dbraw/zinc/52/84/53/619528453.db2.gz	AMAKPEFWJCGMMS-SECBINFHSA-N	-1	0	252.270	2.697	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000793163875	619534210	/nfs/dbraw/zinc/53/42/10/619534210.db2.gz	NHWPSHODNJRDGO-LBPRGKRZSA-N	-1	0	279.336	2.937	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000909527885	619590367	/nfs/dbraw/zinc/59/03/67/619590367.db2.gz	JPTSHCIFOHDKCS-ABAIWWIYSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CC[C@H](C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840707576	619867619	/nfs/dbraw/zinc/86/76/19/619867619.db2.gz	PXBNMYXFNVEOIO-GGKDXNKYSA-N	-1	0	280.324	2.780	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1	ZINC000182775925	625381040	/nfs/dbraw/zinc/38/10/40/625381040.db2.gz	VNARMNQIHSFLOE-UHFFFAOYSA-N	-1	0	275.329	2.679	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000262852658	620082211	/nfs/dbraw/zinc/08/22/11/620082211.db2.gz	HXMAVQORSLLUKQ-RYUDHWBXSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CSc1ccccc1C)C(=O)[O-]	ZINC000262872169	620082546	/nfs/dbraw/zinc/08/25/46/620082546.db2.gz	JUBPNBMDASIRQO-GFCCVEGCSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccncc1)C1CCCC1	ZINC000898281005	620364295	/nfs/dbraw/zinc/36/42/95/620364295.db2.gz	NOADNVIWAKKGIE-DOMZBBRYSA-N	-1	0	274.364	2.978	20	30		CFEDRM
C[C@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCCO1	ZINC000899227983	620532865	/nfs/dbraw/zinc/53/28/65/620532865.db2.gz	WAGKOPXZGJBQAE-UWZYDCLUSA-N	-1	0	278.308	2.679	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000899296505	620541382	/nfs/dbraw/zinc/54/13/82/620541382.db2.gz	YMCCUMSXWZYIHG-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccccc2OC(F)(F)F)c1=O	ZINC000899352410	620547541	/nfs/dbraw/zinc/54/75/41/620547541.db2.gz	IHPOYUYMAFOKTK-SNVBAGLBSA-N	-1	0	296.248	2.947	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c([O-])c1	ZINC000899363493	620551167	/nfs/dbraw/zinc/55/11/67/620551167.db2.gz	NVKPDQSOJWZVNT-CMDGGOBGSA-N	-1	0	282.343	2.819	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899767435	620598535	/nfs/dbraw/zinc/59/85/35/620598535.db2.gz	RFWONFJRTAWGTR-WBMJQRKESA-N	-1	0	286.331	2.552	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)NCC1CCC(C#N)CC1	ZINC000899782678	620598953	/nfs/dbraw/zinc/59/89/53/620598953.db2.gz	OWGHODFDSVAZHC-JXQTWKCFSA-N	-1	0	294.395	2.570	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)c1ccccc1	ZINC000899775987	620599230	/nfs/dbraw/zinc/59/92/30/620599230.db2.gz	QQRWGEIODFZBOT-VKJFTORMSA-N	-1	0	299.370	2.614	20	30		CFEDRM
C=CCC[C@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000901692356	620896341	/nfs/dbraw/zinc/89/63/41/620896341.db2.gz	LMOREJZCWPQZMB-JTQLQIEISA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C1(C(=O)[O-])CCSCC1	ZINC000901783504	620914451	/nfs/dbraw/zinc/91/44/51/620914451.db2.gz	HONREPHNWUPJRC-UHFFFAOYSA-N	-1	0	299.436	2.789	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000902137220	620980409	/nfs/dbraw/zinc/98/04/09/620980409.db2.gz	YVUYYXJYMPUFPT-HNNXBMFYSA-N	-1	0	265.353	2.516	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000902631949	621139306	/nfs/dbraw/zinc/13/93/06/621139306.db2.gz	XSVGNUJBVHVYRH-UHFFFAOYSA-N	-1	0	299.436	2.693	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1C1CC1	ZINC000902703070	621155602	/nfs/dbraw/zinc/15/56/02/621155602.db2.gz	YLXJSMVTIPHCDS-NWDGAFQWSA-N	-1	0	298.342	2.875	20	30		CFEDRM
Cc1sc([N-]S(=O)(=O)CCC2CC2)c(C#N)c1C	ZINC000903169004	621279460	/nfs/dbraw/zinc/27/94/60/621279460.db2.gz	WEYODGMOZVLMLK-UHFFFAOYSA-N	-1	0	284.406	2.778	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc2ccc(C)nc2s1	ZINC000903248792	621305876	/nfs/dbraw/zinc/30/58/76/621305876.db2.gz	MLMIWCFCIBLWND-UHFFFAOYSA-N	-1	0	297.405	2.708	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000905053396	621687036	/nfs/dbraw/zinc/68/70/36/621687036.db2.gz	GEAFRCCZRUEZCL-SNVBAGLBSA-N	-1	0	282.365	2.988	20	30		CFEDRM
CC(=NOC1CCOCC1)c1ccc(C(=O)[O-])cc1C	ZINC000905460935	621778713	/nfs/dbraw/zinc/77/87/13/621778713.db2.gz	CJVADUULARQDER-UHFFFAOYSA-N	-1	0	277.320	2.613	20	30		CFEDRM
CC1(CNN=Cc2cc(Cl)ncc2C(=O)[O-])CCCC1	ZINC000905470427	621781148	/nfs/dbraw/zinc/78/11/48/621781148.db2.gz	QHTDQIOMWMPBPE-UHFFFAOYSA-N	-1	0	295.770	2.937	20	30		CFEDRM
N#C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCCC1	ZINC000802224371	621824040	/nfs/dbraw/zinc/82/40/40/621824040.db2.gz	VVSHTRNCVBZANF-NSHDSACASA-N	-1	0	277.280	2.552	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000907548687	622135741	/nfs/dbraw/zinc/13/57/41/622135741.db2.gz	BEXJAIRWIJUJBY-WDEREUQCSA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000907577660	622138087	/nfs/dbraw/zinc/13/80/87/622138087.db2.gz	VDPMADCMVYJIPW-WBMJQRKESA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000907584717	622139900	/nfs/dbraw/zinc/13/99/00/622139900.db2.gz	LPNAHHNMCBGSNF-GJZGRUSLSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CC(C)C)s1	ZINC000907634662	622144828	/nfs/dbraw/zinc/14/48/28/622144828.db2.gz	OZGNQMILPIWJQG-UHFFFAOYSA-N	-1	0	281.377	2.659	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)oc1C1CC1	ZINC000907633468	622144870	/nfs/dbraw/zinc/14/48/70/622144870.db2.gz	JAROYACOLLXLTN-UHFFFAOYSA-N	-1	0	289.331	2.747	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000907635964	622144934	/nfs/dbraw/zinc/14/49/34/622144934.db2.gz	RAMLXZAQNZBREW-XUJVJEKNSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000907659068	622148732	/nfs/dbraw/zinc/14/87/32/622148732.db2.gz	OSKLZSMBPWSQKQ-DOMZBBRYSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000907659134	622148748	/nfs/dbraw/zinc/14/87/48/622148748.db2.gz	NDKICSVRPWWYCF-FZMZJTMJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000907669219	622149481	/nfs/dbraw/zinc/14/94/81/622149481.db2.gz	AXMHVOHBSKFVBK-ABAIWWIYSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=CC1(CC(=O)N2CC3CC2(C(=O)[O-])C3)CCCCC1	ZINC000907703546	622153905	/nfs/dbraw/zinc/15/39/05/622153905.db2.gz	PNHJDQIHLXDSDS-UHFFFAOYSA-N	-1	0	277.364	2.589	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000907720164	622156250	/nfs/dbraw/zinc/15/62/50/622156250.db2.gz	ZOFMCXCQRVWGNU-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccccc1C(C)(C)CC)C(=O)[O-]	ZINC000907719687	622156421	/nfs/dbraw/zinc/15/64/21/622156421.db2.gz	SMSGTDXZFAKHND-AWEZNQCLSA-N	-1	0	287.359	2.581	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000907837246	622166163	/nfs/dbraw/zinc/16/61/63/622166163.db2.gz	IRGXFFNMUGXOJH-VIFPVBQESA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000907853282	622166820	/nfs/dbraw/zinc/16/68/20/622166820.db2.gz	JQENVCACSGKSKM-IUODEOHRSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1oc(C(=O)[O-])cc1C	ZINC000908219816	622202489	/nfs/dbraw/zinc/20/24/89/622202489.db2.gz	LHRQMPVBPQILQR-UHFFFAOYSA-N	-1	0	265.309	2.715	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000908578595	622248227	/nfs/dbraw/zinc/24/82/27/622248227.db2.gz	BNRJCRBGKVJNHE-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000908638083	622251826	/nfs/dbraw/zinc/25/18/26/622251826.db2.gz	LCEWJSHVMBYCMX-SNVBAGLBSA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(CC)CCC(=O)[O-]	ZINC000908862513	622282416	/nfs/dbraw/zinc/28/24/16/622282416.db2.gz	NZHFSCJVAAGYKM-UHFFFAOYSA-N	-1	0	293.388	2.902	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000908905177	622285902	/nfs/dbraw/zinc/28/59/02/622285902.db2.gz	HNQJALWZFWAXFL-CQSZACIVSA-N	-1	0	273.332	2.675	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)CC1	ZINC000908932722	622286619	/nfs/dbraw/zinc/28/66/19/622286619.db2.gz	MBXZQRRIBKYSNW-QGZVFWFLSA-N	-1	0	287.359	2.849	20	30		CFEDRM
C=C1CCC(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CC1	ZINC000909034948	622298777	/nfs/dbraw/zinc/29/87/77/622298777.db2.gz	LOMHQTXKAXVFJV-INIZCTEOSA-N	-1	0	299.370	2.943	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000909084530	622308016	/nfs/dbraw/zinc/30/80/16/622308016.db2.gz	UJLKXVPAVLTRRG-OAHLLOKOSA-N	-1	0	277.320	2.552	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000909120956	622315275	/nfs/dbraw/zinc/31/52/75/622315275.db2.gz	IMKSALPHHTXORW-NSHDSACASA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCCCNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1	ZINC000909123087	622315340	/nfs/dbraw/zinc/31/53/40/622315340.db2.gz	KISLTHBYIJJYJK-ZDUSSCGKSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000909147162	622321985	/nfs/dbraw/zinc/32/19/85/622321985.db2.gz	DUGSWHIXCWXAEJ-TZMCWYRMSA-N	-1	0	275.348	2.525	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909174718	622322527	/nfs/dbraw/zinc/32/25/27/622322527.db2.gz	LYSRSEDPVYIYPT-AWEZNQCLSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909178823	622322972	/nfs/dbraw/zinc/32/29/72/622322972.db2.gz	DCNZQPDLKDPOND-RHSMWYFYSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000909166204	622324477	/nfs/dbraw/zinc/32/44/77/622324477.db2.gz	OYBURIFTQCANBD-UHFFFAOYSA-N	-1	0	291.347	2.999	20	30		CFEDRM
C#CCC1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC000909291745	622335526	/nfs/dbraw/zinc/33/55/26/622335526.db2.gz	LJHDBPFHVQBKCS-CQSZACIVSA-N	-1	0	293.407	2.823	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909703724	622343231	/nfs/dbraw/zinc/34/32/31/622343231.db2.gz	QUWKRTLWMFEBJZ-ZDUSSCGKSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909703722	622343499	/nfs/dbraw/zinc/34/34/99/622343499.db2.gz	QUWKRTLWMFEBJZ-CYBMUJFWSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909730950	622347529	/nfs/dbraw/zinc/34/75/29/622347529.db2.gz	QBOHDSNCASIKIT-UHFFFAOYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909824224	622353205	/nfs/dbraw/zinc/35/32/05/622353205.db2.gz	QTUAQPUXQBAZBQ-TZMCWYRMSA-N	-1	0	289.375	2.647	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccccc1	ZINC000909809315	622354595	/nfs/dbraw/zinc/35/45/95/622354595.db2.gz	SIEYDCYWAQAMII-SNPRPXQTSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=C1CCC(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)CC1	ZINC000909935881	622373944	/nfs/dbraw/zinc/37/39/44/622373944.db2.gz	QIEIXQMZFTVNHF-INIZCTEOSA-N	-1	0	295.354	2.538	20	30		CFEDRM
C#CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21	ZINC000909958627	622376766	/nfs/dbraw/zinc/37/67/66/622376766.db2.gz	MCAQGBRPJUJBEC-ILXRZTDVSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC000910055064	622392806	/nfs/dbraw/zinc/39/28/06/622392806.db2.gz	WYJIGVQKQAJWTN-UONOGXRCSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000910040476	622395071	/nfs/dbraw/zinc/39/50/71/622395071.db2.gz	HYRWNMXJBJKXIY-UHFFFAOYSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H](CCCC=C)c1ccccc1)C(=O)[O-]	ZINC000910048391	622396371	/nfs/dbraw/zinc/39/63/71/622396371.db2.gz	KRSQWPOFFPZHPN-HOTGVXAUSA-N	-1	0	299.370	2.719	20	30		CFEDRM
C#CC[C@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-]	ZINC000910048101	622396379	/nfs/dbraw/zinc/39/63/79/622396379.db2.gz	DQFUGXPDQSPFFZ-AWEZNQCLSA-N	-1	0	299.326	2.763	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N1CCC[C@]1(CCC)C(=O)[O-])OCC	ZINC000910112901	622406616	/nfs/dbraw/zinc/40/66/16/622406616.db2.gz	BRRWQOOTISMUFH-XJKSGUPXSA-N	-1	0	297.395	2.604	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910228633	622414135	/nfs/dbraw/zinc/41/41/35/622414135.db2.gz	BGEQTWDITGBTNP-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910232714	622414395	/nfs/dbraw/zinc/41/43/95/622414395.db2.gz	FRKGUBYZZVBPMM-CZUORRHYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC(C)(C)C1CC1)C(=O)[O-]	ZINC000910268192	622421165	/nfs/dbraw/zinc/42/11/65/622421165.db2.gz	WZBUBWISBXWMGM-SNVBAGLBSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000910266565	622421264	/nfs/dbraw/zinc/42/12/64/622421264.db2.gz	MXXRBXOAAJYJOA-LLVKDONJSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910290981	622430107	/nfs/dbraw/zinc/43/01/07/622430107.db2.gz	ATZKQEOQBBSFLN-LOWDOPEQSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC000910510351	622451854	/nfs/dbraw/zinc/45/18/54/622451854.db2.gz	FYFAPZMDEIWMSL-UHFFFAOYSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc2[nH]ccc21)C(=O)[O-]	ZINC000910913756	622486003	/nfs/dbraw/zinc/48/60/03/622486003.db2.gz	BTKIORVWFYYYFU-AWEZNQCLSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc(OCC)c1)C(=O)[O-]	ZINC000910914470	622486081	/nfs/dbraw/zinc/48/60/81/622486081.db2.gz	KZGYTOHUPLHOCR-CQSZACIVSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccccc1OCC)C(=O)[O-]	ZINC000910914237	622486161	/nfs/dbraw/zinc/48/61/61/622486161.db2.gz	DUVCIEYYOZMIBR-ZDUSSCGKSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910913174	622486387	/nfs/dbraw/zinc/48/63/87/622486387.db2.gz	WSCMWOQWPJWXHI-MISXGVKJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCO[C@H](CC)C1)C(=O)[O-]	ZINC000910916641	622486837	/nfs/dbraw/zinc/48/68/37/622486837.db2.gz	HLZGFGVQXIURND-MJBXVCDLSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@](C)(C=C)CC)C(=O)[O-]	ZINC000910917487	622486882	/nfs/dbraw/zinc/48/68/82/622486882.db2.gz	RFYJMMGHJIKMIE-BXUZGUMPSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000910918699	622487228	/nfs/dbraw/zinc/48/72/28/622487228.db2.gz	NZTMPWNGDRCGEC-ZDUSSCGKSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000910919258	622487356	/nfs/dbraw/zinc/48/73/56/622487356.db2.gz	VQAAOOMAIRNMAI-LBPRGKRZSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000910922648	622487605	/nfs/dbraw/zinc/48/76/05/622487605.db2.gz	LRZZJNOWBPUTIV-STQMWFEESA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C(=O)[O-]	ZINC000910921646	622487662	/nfs/dbraw/zinc/48/76/62/622487662.db2.gz	DNZJCRFOZAKVIG-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000910922213	622487831	/nfs/dbraw/zinc/48/78/31/622487831.db2.gz	ICDACDNECWKLMF-BDAKNGLRSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(F)cc(C)cc1F)C(=O)[O-]	ZINC000910922948	622487833	/nfs/dbraw/zinc/48/78/33/622487833.db2.gz	PDNIESCFWCIBSG-LBPRGKRZSA-N	-1	0	297.301	2.813	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCC[C@@H](OC)C1)C(=O)[O-]	ZINC000910921629	622487870	/nfs/dbraw/zinc/48/78/70/622487870.db2.gz	DFRJOOTVPNKGQG-MJBXVCDLSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccoc1C1CC1)C(=O)[O-]	ZINC000910927122	622488896	/nfs/dbraw/zinc/48/88/96/622488896.db2.gz	XEGCBLKVNCFLLN-LBPRGKRZSA-N	-1	0	277.320	2.696	20	30		CFEDRM
C#CCC1(C(=O)Nc2cncc(C(=O)[O-])c2)CCCCC1	ZINC000910975858	622493374	/nfs/dbraw/zinc/49/33/74/622493374.db2.gz	QNASEHGEKDATET-UHFFFAOYSA-N	-1	0	286.331	2.692	20	30		CFEDRM
C=C1CCC(CNC(=O)c2cccc(CC(=O)[O-])c2)CC1	ZINC000910989732	622496111	/nfs/dbraw/zinc/49/61/11/622496111.db2.gz	DDLGNSCTJOQIDV-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911071499	622503852	/nfs/dbraw/zinc/50/38/52/622503852.db2.gz	WDNHQEZDUQNZJA-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
C=C(C)[C@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675365	622533922	/nfs/dbraw/zinc/53/39/22/622533922.db2.gz	CBFVUKJIWKWNBG-GWCFXTLKSA-N	-1	0	297.301	2.809	20	30		CFEDRM
CCCCCCCC(=O)NCc1ccc(C(=O)[O-])cn1	ZINC000911732954	622548534	/nfs/dbraw/zinc/54/85/34/622548534.db2.gz	LRSNAZHWEZGVKS-UHFFFAOYSA-N	-1	0	278.352	2.757	20	30		CFEDRM
C[C@@H](NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccncc1	ZINC000819819024	622564428	/nfs/dbraw/zinc/56/44/28/622564428.db2.gz	REVMXKPHGXNIJH-NQBHXWOUSA-N	-1	0	275.352	2.609	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C(F)=C3CCC3)nc1-2	ZINC000820118943	622613584	/nfs/dbraw/zinc/61/35/84/622613584.db2.gz	WGBLZXZHOXPFRY-SNVBAGLBSA-N	-1	0	284.294	2.850	20	30		CFEDRM
CCCc1ccc(COC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820326080	622649401	/nfs/dbraw/zinc/64/94/01/622649401.db2.gz	RVDNVHVZSBOCSD-INIZCTEOSA-N	-1	0	289.331	2.687	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(O)c(OC)c2)c(C)n1	ZINC000210528262	622876949	/nfs/dbraw/zinc/87/69/49/622876949.db2.gz	VKVPHPINCKJHDE-SREVYHEPSA-N	-1	0	286.331	2.822	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1	ZINC000045098535	622965063	/nfs/dbraw/zinc/96/50/63/622965063.db2.gz	SNQKUMGBRSNSNC-UHFFFAOYSA-N	-1	0	293.344	2.926	20	30		CFEDRM
C=CCO[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC	ZINC000821892110	623002413	/nfs/dbraw/zinc/00/24/13/623002413.db2.gz	WYMKTBKUEMESDW-UHFFFAOYSA-N	-1	0	291.681	2.674	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](OC)c1ccccc1C(F)(F)F	ZINC000821891511	623002755	/nfs/dbraw/zinc/00/27/55/623002755.db2.gz	FPYOBOPVTDHRCL-LLVKDONJSA-N	-1	0	289.253	2.627	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NCC1(C(=O)[O-])CCC1	ZINC000166678260	623026410	/nfs/dbraw/zinc/02/64/10/623026410.db2.gz	VTPKNOGNGHNKMS-UHFFFAOYSA-N	-1	0	281.315	2.773	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708863	623093067	/nfs/dbraw/zinc/09/30/67/623093067.db2.gz	RCCMMVRFFFWYLQ-XVKPBYJWSA-N	-1	0	273.741	2.641	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1C	ZINC000046929712	623104555	/nfs/dbraw/zinc/10/45/55/623104555.db2.gz	ISRLGBURWVSYDB-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1ccc(F)cc1	ZINC000824028234	623435963	/nfs/dbraw/zinc/43/59/63/623435963.db2.gz	BYTVBQZIFGPVJY-SNVBAGLBSA-N	-1	0	269.341	2.930	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(F)cc1	ZINC000824033553	623437747	/nfs/dbraw/zinc/43/77/47/623437747.db2.gz	OMVVDVASUWIDPT-NXEZZACHSA-N	-1	0	269.341	2.929	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1Cl	ZINC000151541387	623483274	/nfs/dbraw/zinc/48/32/74/623483274.db2.gz	UWAJIXABINSCNW-GFCCVEGCSA-N	-1	0	290.750	2.593	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCC(F)F)c(Cl)c1	ZINC000758899777	623516998	/nfs/dbraw/zinc/51/69/98/623516998.db2.gz	NITHVCWSUKMZQO-UHFFFAOYSA-N	-1	0	263.627	2.654	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2nc(Cl)ccc2F)c1	ZINC000759716829	623575254	/nfs/dbraw/zinc/57/52/54/623575254.db2.gz	DNJZTPHBFRFEJD-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C[C@H]1CC(=NOCCC(F)(F)F)CC[C@@H]1C(=O)[O-]	ZINC000814910306	623695923	/nfs/dbraw/zinc/69/59/23/623695923.db2.gz	SJYPKHWWPFEOGH-CBAPKCEASA-N	-1	0	267.247	2.832	20	30		CFEDRM
CC(=NN[C@H](C)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000835002997	623927044	/nfs/dbraw/zinc/92/70/44/623927044.db2.gz	VRTHADLUXWTSNP-SSDOTTSWSA-N	-1	0	291.229	2.565	20	30		CFEDRM
CCC(=NOC[C@H]1CCOC1)c1ccc(C(=O)[O-])cc1	ZINC000788034357	623973401	/nfs/dbraw/zinc/97/34/01/623973401.db2.gz	QUNIZTIMWPZTSJ-NSHDSACASA-N	-1	0	277.320	2.552	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccccc2OCC#N)n1	ZINC000193595130	624057780	/nfs/dbraw/zinc/05/77/80/624057780.db2.gz	JXBCSZVELRMGIB-GFCCVEGCSA-N	-1	0	297.339	2.844	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](CC)OC1CCCC1	ZINC000073087198	624175222	/nfs/dbraw/zinc/17/52/22/624175222.db2.gz	RYSPWBOIPVNRON-LBPRGKRZSA-N	-1	0	291.413	2.811	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccccc2F)cc1	ZINC000916240963	624230023	/nfs/dbraw/zinc/23/00/23/624230023.db2.gz	YQANHAMVEZHLOL-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)cc1O	ZINC000916240974	624230071	/nfs/dbraw/zinc/23/00/71/624230071.db2.gz	ZNDJERDXXROWAB-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
Cc1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1	ZINC000916240937	624230225	/nfs/dbraw/zinc/23/02/25/624230225.db2.gz	XDHXQCXRQOURRV-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2ccc[nH]2)ccc1Cl	ZINC000916259307	624231075	/nfs/dbraw/zinc/23/10/75/624231075.db2.gz	DDAXBAJYXYGGTF-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc(F)cc2)c1	ZINC000916255306	624231175	/nfs/dbraw/zinc/23/11/75/624231175.db2.gz	QTPBCBWLZXQXTO-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc([N+](=O)[O-])c2)cc1	ZINC000916268988	624233349	/nfs/dbraw/zinc/23/33/49/624233349.db2.gz	KNRCXKTVFQYTEK-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
Cc1nnc(C)n1N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000916350560	624239048	/nfs/dbraw/zinc/23/90/48/624239048.db2.gz	SPXRRWLBILFDSB-UHFFFAOYSA-N	-1	0	285.134	2.790	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1	ZINC000917005152	624298983	/nfs/dbraw/zinc/29/89/83/624298983.db2.gz	KZIWEYZGICIPBA-QMMMGPOBSA-N	-1	0	292.747	2.623	20	30		CFEDRM
Cc1[n-][nH]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1	ZINC000917413292	624340697	/nfs/dbraw/zinc/34/06/97/624340697.db2.gz	ZROPSLPDGOMAON-SNVBAGLBSA-N	-1	0	299.277	2.543	20	30		CFEDRM
CCCC(=NNc1[n-]cnc2ncnc1-2)c1ccccc1	ZINC000917555837	624359420	/nfs/dbraw/zinc/35/94/20/624359420.db2.gz	YULKIYMOEHSDGF-UHFFFAOYSA-N	-1	0	280.335	2.969	20	30		CFEDRM
CCCCCCCS(=O)(=O)N[C@](C)(CC)CC(=O)[O-]	ZINC000829833839	624561398	/nfs/dbraw/zinc/56/13/98/624561398.db2.gz	FSCXODBEAOGETG-CYBMUJFWSA-N	-1	0	293.429	2.520	20	30		CFEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)C2(C#N)CCCC2)c1	ZINC000830321124	624707266	/nfs/dbraw/zinc/70/72/66/624707266.db2.gz	YXFCYVHAUJUBRT-UHFFFAOYSA-N	-1	0	290.294	2.756	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175095836	624926447	/nfs/dbraw/zinc/92/64/47/624926447.db2.gz	PYLHHALRQFGXSG-ZDUSSCGKSA-N	-1	0	290.363	2.915	20	30		CFEDRM
CC1(C)CCC[C@@](O)(C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000831271307	624980363	/nfs/dbraw/zinc/98/03/63/624980363.db2.gz	FBXAFZLNHVZJAI-INIZCTEOSA-N	-1	0	288.347	2.534	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCOC(C)C)c1	ZINC000069533302	625143848	/nfs/dbraw/zinc/14/38/48/625143848.db2.gz	DVIXYOQHZDTDGO-UHFFFAOYSA-N	-1	0	299.392	2.764	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000181977938	625243970	/nfs/dbraw/zinc/24/39/70/625243970.db2.gz	IDNJIGIKICMCDT-UHFFFAOYSA-N	-1	0	296.282	2.558	20	30		CFEDRM
C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nccs1	ZINC000182168737	625262626	/nfs/dbraw/zinc/26/26/26/625262626.db2.gz	JRKDQTAZPWIBHZ-MBBDXHFBSA-N	-1	0	291.332	2.980	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc1	ZINC000073086726	625771465	/nfs/dbraw/zinc/77/14/65/625771465.db2.gz	HLNWAHKCLDCQBA-NSHDSACASA-N	-1	0	269.366	2.932	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)c1	ZINC000073087051	625771780	/nfs/dbraw/zinc/77/17/80/625771780.db2.gz	SWTJEQRFKJQVOO-NSHDSACASA-N	-1	0	269.366	2.932	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834911546	625920029	/nfs/dbraw/zinc/92/00/29/625920029.db2.gz	CCGLCGBXYUJJDK-LBPRGKRZSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCC2	ZINC000834913364	625920368	/nfs/dbraw/zinc/92/03/68/625920368.db2.gz	YIFHPZMGAMTEES-CYBMUJFWSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834936044	625927426	/nfs/dbraw/zinc/92/74/26/625927426.db2.gz	PMVMCDMQODKHST-MFKMUULPSA-N	-1	0	264.325	2.844	20	30		CFEDRM
C[C@@H](NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C)C(C)(C)C	ZINC000814937946	625929250	/nfs/dbraw/zinc/92/92/50/625929250.db2.gz	SLTLSSWKQYMNGY-AXFHLTTASA-N	-1	0	254.374	2.887	20	30		CFEDRM
C[C@H](NN=Cc1cccc(Cl)c1[O-])C(F)(F)F	ZINC000834999080	625948852	/nfs/dbraw/zinc/94/88/52/625948852.db2.gz	BIPUQCDWJILOBQ-LURJTMIESA-N	-1	0	266.650	2.920	20	30		CFEDRM
CC(N=Nc1ccncn1)[C@H](C)CCCCC(=O)[O-]	ZINC000835000870	625949800	/nfs/dbraw/zinc/94/98/00/625949800.db2.gz	HSNQOJLPIHMSOU-SNVBAGLBSA-N	-1	0	264.329	2.546	20	30		CFEDRM
Cc1ccc(CN=NC2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1	ZINC000835008515	625954844	/nfs/dbraw/zinc/95/48/44/625954844.db2.gz	KNBNGRKMGXBTKV-DOMZBBRYSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CCSCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008394	625954938	/nfs/dbraw/zinc/95/49/38/625954938.db2.gz	IPUSGAXYKQTYQA-UHFFFAOYSA-N	-1	0	256.302	2.675	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008144	625955096	/nfs/dbraw/zinc/95/50/96/625955096.db2.gz	GFRGTPHIYFXLJT-CYBMUJFWSA-N	-1	0	268.288	2.737	20	30		CFEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835007910	625955108	/nfs/dbraw/zinc/95/51/08/625955108.db2.gz	BSJNCCPQWOXKRK-SNVBAGLBSA-N	-1	0	268.288	2.737	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC23CCOCC3)c(F)c1	ZINC000835007897	625955180	/nfs/dbraw/zinc/95/51/80/625955180.db2.gz	BJPQZLDZCZCSKY-UHFFFAOYSA-N	-1	0	292.310	2.882	20	30		CFEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835008115	625955225	/nfs/dbraw/zinc/95/52/25/625955225.db2.gz	FSKDNIDCLHTZGE-UHFFFAOYSA-N	-1	0	268.313	2.817	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009761	625957330	/nfs/dbraw/zinc/95/73/30/625957330.db2.gz	ZKJJQVRPNMZGLI-ZETCQYMHSA-N	-1	0	268.313	2.817	20	30		CFEDRM
CC(=NN[C@H]1CCOC1(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000835020710	625966121	/nfs/dbraw/zinc/96/61/21/625966121.db2.gz	JVKNCKLHCXPTDE-YPMHNXCESA-N	-1	0	284.400	2.801	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCOC1(C)C	ZINC000835022289	625968428	/nfs/dbraw/zinc/96/84/28/625968428.db2.gz	YZZLEHXJYJRDBV-ZDUSSCGKSA-N	-1	0	284.400	2.945	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1	ZINC000091127377	626066442	/nfs/dbraw/zinc/06/64/42/626066442.db2.gz	FAWHESVTAJQFFZ-UHFFFAOYSA-N	-1	0	297.376	2.919	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1	ZINC000073837789	626396120	/nfs/dbraw/zinc/39/61/20/626396120.db2.gz	UAGCGQRPNDZMHN-UHFFFAOYSA-N	-1	0	287.356	2.843	20	30		CFEDRM
C[C@H](Cc1ccc(NC(=O)C2(C#N)CCC2)cc1)C(=O)[O-]	ZINC000923075582	626449075	/nfs/dbraw/zinc/44/90/75/626449075.db2.gz	KMAUOFMEHCMVSI-LLVKDONJSA-N	-1	0	286.331	2.582	20	30		CFEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCC2)cc1	ZINC000923080418	626449369	/nfs/dbraw/zinc/44/93/69/626449369.db2.gz	LBHVZVMLUGKDQL-JTQLQIEISA-N	-1	0	272.304	2.507	20	30		CFEDRM
Cc1sc(C(=O)[O-])cc1NC(=O)C1(C#N)CC(C)C1	ZINC000923098017	626450965	/nfs/dbraw/zinc/45/09/65/626450965.db2.gz	PCRYIGCHAWXLPN-UHFFFAOYSA-N	-1	0	278.333	2.633	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1	ZINC000923105214	626451570	/nfs/dbraw/zinc/45/15/70/626451570.db2.gz	OZRHCLVPEBHIOZ-ZAAAFFPSSA-N	-1	0	298.342	2.753	20	30		CFEDRM
CSc1ccc(NC(=O)C2(C#N)CCC2)cc1C(=O)[O-]	ZINC000923106614	626451628	/nfs/dbraw/zinc/45/16/28/626451628.db2.gz	QEKDJFBAENUDNY-UHFFFAOYSA-N	-1	0	290.344	2.739	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923176428	626455089	/nfs/dbraw/zinc/45/50/89/626455089.db2.gz	IKNGHJZYWAKZKB-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
N#CC(=C([O-])C=C[C@H]1CCCO1)c1nc(C2CC2)cs1	ZINC000842942138	626523026	/nfs/dbraw/zinc/52/30/26/626523026.db2.gz	GJFDHDYPJIVIIB-IEVRTODYSA-N	-1	0	288.372	2.932	20	30		CFEDRM
CC(N=Nc1cncc(Cl)n1)c1ccccc1C(=O)[O-]	ZINC000757460414	626552690	/nfs/dbraw/zinc/55/26/90/626552690.db2.gz	VDEMHKSUUYSFMY-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2ccc3c(c2)nnn3C)c([O-])c1	ZINC000757475901	626553210	/nfs/dbraw/zinc/55/32/10/626553210.db2.gz	NEQKXHCGTOGWHY-YVMONPNESA-N	-1	0	293.326	2.878	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2ccc3c(c2)nnn3C)c([O-])c1	ZINC000757475900	626553248	/nfs/dbraw/zinc/55/32/48/626553248.db2.gz	NEQKXHCGTOGWHY-VMPITWQZSA-N	-1	0	293.326	2.878	20	30		CFEDRM
C=CCC(F)(F)C(=O)NCc1cnc(Cl)s1	ZINC000839753310	626554448	/nfs/dbraw/zinc/55/44/48/626554448.db2.gz	MSDBEXAONJVHFE-UHFFFAOYSA-N	-1	0	266.700	2.624	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1	ZINC000757926886	626567715	/nfs/dbraw/zinc/56/77/15/626567715.db2.gz	XBELSKRWVDNRTJ-UHFFFAOYSA-N	-1	0	292.747	2.517	20	30		CFEDRM
CC(=NNC1CC1)c1cc(Br)ccc1O	ZINC000758127916	626577224	/nfs/dbraw/zinc/57/72/24/626577224.db2.gz	STMABYWMMBGWMH-UHFFFAOYSA-N	-1	0	269.142	2.631	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC1CCCC1	ZINC000758485446	626595691	/nfs/dbraw/zinc/59/56/91/626595691.db2.gz	XNBCSDBSYBSHOJ-ZDUSSCGKSA-N	-1	0	270.373	2.948	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759089565	626627334	/nfs/dbraw/zinc/62/73/34/626627334.db2.gz	GURJKXBSHGPUMC-XQRVVYSFSA-N	-1	0	287.275	2.536	20	30		CFEDRM
C=CCCC[C@@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759131223	626629778	/nfs/dbraw/zinc/62/97/78/626629778.db2.gz	WHQMFEXBVVHMQR-SECBINFHSA-N	-1	0	295.301	2.732	20	30		CFEDRM
N#CC(=C([O-])C=CSc1ccccc1)c1ccncn1	ZINC000760337718	626736451	/nfs/dbraw/zinc/73/64/51/626736451.db2.gz	BHUKNMBPQAYMBD-JWJUJFCLSA-N	-1	0	281.340	2.959	20	30		CFEDRM
CC(C)(O)c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000760867065	626779322	/nfs/dbraw/zinc/77/93/22/626779322.db2.gz	CNSIXUXUOFMXJE-UHFFFAOYSA-N	-1	0	296.326	2.744	20	30		CFEDRM
N#Cc1cc(COC(=O)c2ccc([O-])c(Cl)c2)ccn1	ZINC000762830151	626942147	/nfs/dbraw/zinc/94/21/47/626942147.db2.gz	MNEFRGIAFNYMAD-UHFFFAOYSA-N	-1	0	288.690	2.669	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccccc2Cl)nc1	ZINC000763367367	626983222	/nfs/dbraw/zinc/98/32/22/626983222.db2.gz	BVTZLFFURUOEFW-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
CCc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763369427	626983639	/nfs/dbraw/zinc/98/36/39/626983639.db2.gz	VPOWIMSKHXBKFX-UHFFFAOYSA-N	-1	0	269.304	2.788	20	30		CFEDRM
Cn1cc(CN=Nc2ccc(C(=O)[O-])cn2)c2ccccc21	ZINC000763372056	626983673	/nfs/dbraw/zinc/98/36/73/626983673.db2.gz	PQDGIRPZYBWRNV-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cncc3ccccc32)nc1	ZINC000763377427	626984035	/nfs/dbraw/zinc/98/40/35/626984035.db2.gz	OFXZPZNIWMXORX-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
COCc1ccc(C=NNc2cccc(C(=O)[O-])c2)o1	ZINC000764646572	627080112	/nfs/dbraw/zinc/08/01/12/627080112.db2.gz	AYFURKMOTOTOSV-UHFFFAOYSA-N	-1	0	274.276	2.570	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000767366404	627245486	/nfs/dbraw/zinc/24/54/86/627245486.db2.gz	KCLWICMVDQQZGC-DJWKRKHSSA-N	-1	0	284.271	2.900	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000767989206	627300927	/nfs/dbraw/zinc/30/09/27/627300927.db2.gz	CGFOERPTRXFCQR-CHWSQXEVSA-N	-1	0	295.404	2.796	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000768153557	627321415	/nfs/dbraw/zinc/32/14/15/627321415.db2.gz	HSXJPTPKSCPUOF-UHFFFAOYSA-N	-1	0	277.324	2.672	20	30		CFEDRM
CCC[C@@H](CN=Nc1nnc(C)c(=O)[n-]1)c1ccccc1	ZINC000769570470	627457384	/nfs/dbraw/zinc/45/73/84/627457384.db2.gz	ZNXIWOFYCMLASQ-ZDUSSCGKSA-N	-1	0	285.351	2.867	20	30		CFEDRM
COc1ccsc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000769799974	627476190	/nfs/dbraw/zinc/47/61/90/627476190.db2.gz	QVDBPCLMOIOVQF-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNCC(F)(F)F	ZINC000769809528	627477208	/nfs/dbraw/zinc/47/72/08/627477208.db2.gz	CQYJAINHHFKRSD-UHFFFAOYSA-N	-1	0	270.613	2.671	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cnccc1C	ZINC000771554599	627613481	/nfs/dbraw/zinc/61/34/81/627613481.db2.gz	YKSWLJBXXREFEY-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC(C)c1nccnc1N=NCc1ccccc1C(=O)[O-]	ZINC000773078842	627779958	/nfs/dbraw/zinc/77/99/58/627779958.db2.gz	PIDANWBWGOUJDI-UHFFFAOYSA-N	-1	0	284.319	2.744	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C	ZINC000773316630	627805338	/nfs/dbraw/zinc/80/53/38/627805338.db2.gz	MXWGYOBZFCWFPJ-UHFFFAOYSA-N	-1	0	298.346	2.618	20	30		CFEDRM
C=C(CC)COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000773481983	627826146	/nfs/dbraw/zinc/82/61/46/627826146.db2.gz	JAEDFVXUWWJIPE-UHFFFAOYSA-N	-1	0	288.347	2.718	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1	ZINC000775291997	628007054	/nfs/dbraw/zinc/00/70/54/628007054.db2.gz	FIQIFJORODNRAI-UHFFFAOYSA-N	-1	0	287.406	2.526	20	30		CFEDRM
C=C(Br)CNC(=O)c1cccc(Cl)c1[O-]	ZINC000775677035	628054140	/nfs/dbraw/zinc/05/41/40/628054140.db2.gz	RHTYRKMTTCKISX-UHFFFAOYSA-N	-1	0	290.544	2.684	20	30		CFEDRM
C=CCCOCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000775794003	628069156	/nfs/dbraw/zinc/06/91/56/628069156.db2.gz	SZYZYMORFDIKRL-UHFFFAOYSA-N	-1	0	288.347	2.965	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cscn1	ZINC000776192091	628114602	/nfs/dbraw/zinc/11/46/02/628114602.db2.gz	HXWSODJTNBSQHF-RJRFIUFISA-N	-1	0	276.273	2.653	20	30		CFEDRM
CCCCC[C@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000776664601	628167142	/nfs/dbraw/zinc/16/71/42/628167142.db2.gz	OKNSVDRUQSEVFQ-AWEZNQCLSA-N	-1	0	288.347	2.516	20	30		CFEDRM
Cc1ncsc1C=CC(=O)[C@H](C#N)c1cc(C)nc(C)n1	ZINC000777292033	628212357	/nfs/dbraw/zinc/21/23/57/628212357.db2.gz	DXJNZMIOLZLORI-ZYOFXKKJSA-N	-1	0	298.371	2.748	20	30		CFEDRM
COC[C@H](C)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000777901091	628262881	/nfs/dbraw/zinc/26/28/81/628262881.db2.gz	IHUWIADNRUEEAG-ZETCQYMHSA-N	-1	0	277.151	2.657	20	30		CFEDRM
COc1ccc(N=NC(C)c2ccc(CC(=O)[O-])cc2)nc1	ZINC000780277483	628449492	/nfs/dbraw/zinc/44/94/92/628449492.db2.gz	ZAQQJVFHHBVXSM-UHFFFAOYSA-N	-1	0	299.330	2.553	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCC(C)C	ZINC000781099173	628521486	/nfs/dbraw/zinc/52/14/86/628521486.db2.gz	YEPAITQXHVHSGX-LBPRGKRZSA-N	-1	0	258.362	2.661	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@@]1(C)CCCO1	ZINC000782177710	628609739	/nfs/dbraw/zinc/60/97/39/628609739.db2.gz	UJFIWEOXYBZNGN-CQSZACIVSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])c1csc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC000782208347	628614779	/nfs/dbraw/zinc/61/47/79/628614779.db2.gz	YHIJQEZKWGVWPJ-WEVVVXLNSA-N	-1	0	286.308	2.974	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCSC1	ZINC000782255719	628619992	/nfs/dbraw/zinc/61/99/92/628619992.db2.gz	WYXJVVKBXHYSOV-SECBINFHSA-N	-1	0	280.349	2.544	20	30		CFEDRM
COc1cccc(CC(C)N=Nc2ccc(C(=O)[O-])cc2)n1	ZINC000782893132	628662042	/nfs/dbraw/zinc/66/20/42/628662042.db2.gz	GXDJPJWXPADJRG-UHFFFAOYSA-N	-1	0	299.330	2.819	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC[C@@H]2CCOC2)c1[O-]	ZINC000783686368	628734782	/nfs/dbraw/zinc/73/47/82/628734782.db2.gz	ZQAOCZSXKBPWEW-KIKKFWRUSA-N	-1	0	298.726	2.799	20	30		CFEDRM
CC[C@H](C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000784895573	628849812	/nfs/dbraw/zinc/84/98/12/628849812.db2.gz	CDNRNPJDNXBNKT-STQMWFEESA-N	-1	0	289.379	2.918	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NNC2CCCCC2)c1)C(=O)[O-]	ZINC000786042068	628932626	/nfs/dbraw/zinc/93/26/26/628932626.db2.gz	JDIWBISDLPTREN-GFCCVEGCSA-N	-1	0	290.363	2.795	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000787071882	628991336	/nfs/dbraw/zinc/99/13/36/628991336.db2.gz	GAKVNHAGFKXILE-OAHLLOKOSA-N	-1	0	296.326	2.569	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccsc1	ZINC000787072141	628991623	/nfs/dbraw/zinc/99/16/23/628991623.db2.gz	OOTFXMRQCNCGBE-AWEZNQCLSA-N	-1	0	298.367	2.729	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cccs1	ZINC000787079119	628991804	/nfs/dbraw/zinc/99/18/04/628991804.db2.gz	PPLWDMIQNPFBRR-ZDUSSCGKSA-N	-1	0	298.367	2.729	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C23CC(C(F)(F)F)(C2)C3)c1	ZINC000787153811	628996621	/nfs/dbraw/zinc/99/66/21/628996621.db2.gz	CGSZPQMCUGLXGS-UHFFFAOYSA-N	-1	0	296.248	2.935	20	30		CFEDRM
C=CCCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000787362696	629009029	/nfs/dbraw/zinc/00/90/29/629009029.db2.gz	ZMSYEGZPJNEDBY-UHFFFAOYSA-N	-1	0	262.334	2.765	20	30		CFEDRM
COc1ccc(NN=C(C)c2cc(C(=O)[O-])ccc2C)nc1	ZINC000788441000	629067284	/nfs/dbraw/zinc/06/72/84/629067284.db2.gz	MARKQIMQZYCTFR-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
C=C[C@@H](CC(=O)OCc1n[n-]c(C)cc1=O)c1ccccc1	ZINC000789780135	629188120	/nfs/dbraw/zinc/18/81/20/629188120.db2.gz	YPMNKSGJWZSLOP-ZDUSSCGKSA-N	-1	0	298.342	2.894	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(OC)CCCC1	ZINC000790172724	629215780	/nfs/dbraw/zinc/21/57/80/629215780.db2.gz	VAEXGTMTKSPHLV-UHFFFAOYSA-N	-1	0	292.335	2.750	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@H](C)CCC)CCC1	ZINC000791804382	629359985	/nfs/dbraw/zinc/35/99/85/629359985.db2.gz	QXBHVNIFBPCTJJ-GFCCVEGCSA-N	-1	0	287.425	2.615	20	30		CFEDRM
N#CCN(Cc1c([O-])ccc(Cl)c1F)C1CC1	ZINC000792167676	629404865	/nfs/dbraw/zinc/40/48/65/629404865.db2.gz	YDYQPOOCLKSZAK-UHFFFAOYSA-N	-1	0	254.692	2.673	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(F)c(Cl)c1)C(=O)[O-]	ZINC000793055591	629481002	/nfs/dbraw/zinc/48/10/02/629481002.db2.gz	ANLBXDYIEUHQOG-NSHDSACASA-N	-1	0	272.707	2.656	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1cc(C)ccc1OC	ZINC000793057655	629481564	/nfs/dbraw/zinc/48/15/64/629481564.db2.gz	OXFOSUDZDDMLMY-ZDUSSCGKSA-N	-1	0	278.352	2.571	20	30		CFEDRM
CC[C@H](NN=C1CC(C)(C)c2cc(OC)ccc21)C(=O)[O-]	ZINC000793070535	629481975	/nfs/dbraw/zinc/48/19/75/629481975.db2.gz	CCUSXSXYSIVADA-ZDUSSCGKSA-N	-1	0	290.363	2.533	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000793071323	629482963	/nfs/dbraw/zinc/48/29/63/629482963.db2.gz	HZLHXPQYOZQSFD-SNVBAGLBSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-]	ZINC000793071898	629483057	/nfs/dbraw/zinc/48/30/57/629483057.db2.gz	MTPGCOHTYZPLIW-QWHCGFSZSA-N	-1	0	278.327	2.902	20	30		CFEDRM
CC[C@@H](NN=Cc1ncc(-c2ccccc2)s1)C(=O)[O-]	ZINC000793071818	629483079	/nfs/dbraw/zinc/48/30/79/629483079.db2.gz	HHCQAMRYHGIWPO-LLVKDONJSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@@H](NN=Cc1cnc(-c2cccs2)s1)C(=O)[O-]	ZINC000793073379	629483473	/nfs/dbraw/zinc/48/34/73/629483473.db2.gz	UIYUKVBWXLYQCV-SECBINFHSA-N	-1	0	295.389	2.658	20	30		CFEDRM
CC[C@H](NN=C1CC(C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793072903	629483579	/nfs/dbraw/zinc/48/35/79/629483579.db2.gz	RCDNEEDVLIEYIG-CFMCSPIPSA-N	-1	0	260.337	2.547	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc2ccc(C)cc2o1)C(=O)[O-]	ZINC000793072909	629483585	/nfs/dbraw/zinc/48/35/85/629483585.db2.gz	RCSXKUTXFPRPGN-GFCCVEGCSA-N	-1	0	274.320	2.918	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(SC)cc1)C(=O)[O-]	ZINC000793073061	629483883	/nfs/dbraw/zinc/48/38/83/629483883.db2.gz	XWNNEQQJMDEQSB-GFCCVEGCSA-N	-1	0	266.366	2.585	20	30		CFEDRM
CC[C@@H](NN=C1CCCc2c(Cl)cccc21)C(=O)[O-]	ZINC000793078897	629484470	/nfs/dbraw/zinc/48/44/70/629484470.db2.gz	PHKZRDMBDJFHSL-GFCCVEGCSA-N	-1	0	280.755	2.833	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@](C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793077344	629484569	/nfs/dbraw/zinc/48/45/69/629484569.db2.gz	DJXHWPCVSASJLK-ZBFHGGJFSA-N	-1	0	274.364	2.937	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1ccc(Cl)s1	ZINC000793081182	629485189	/nfs/dbraw/zinc/48/51/89/629485189.db2.gz	IAWYFYOJNMYMEI-QMMMGPOBSA-N	-1	0	274.773	2.968	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000793158501	629494323	/nfs/dbraw/zinc/49/43/23/629494323.db2.gz	IABAZPRDLMUJKR-NWDGAFQWSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(OCC(=O)[O-])cc1	ZINC000793164053	629495976	/nfs/dbraw/zinc/49/59/76/629495976.db2.gz	QWWHCQPGWPCEIU-LLVKDONJSA-N	-1	0	265.309	2.547	20	30		CFEDRM
CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000835234506	629547077	/nfs/dbraw/zinc/54/70/77/629547077.db2.gz	CFUXLBHXZISPAT-FRRDWIJNSA-N	-1	0	287.363	2.528	20	30		CFEDRM
CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000793734470	629589671	/nfs/dbraw/zinc/58/96/71/629589671.db2.gz	BQAQQYUGNVJSEJ-AAEUAGOBSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000793734473	629589759	/nfs/dbraw/zinc/58/97/59/629589759.db2.gz	BQAQQYUGNVJSEJ-YPMHNXCESA-N	-1	0	288.347	2.798	20	30		CFEDRM
Cc1cnn(C)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000794702685	629676360	/nfs/dbraw/zinc/67/63/60/629676360.db2.gz	RJWCSTKCBTXKJR-SREVYHEPSA-N	-1	0	256.305	2.639	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccnc(F)c2)c1	ZINC000794717744	629678307	/nfs/dbraw/zinc/67/83/07/629678307.db2.gz	BQZCWKOJXRPURM-SNAWJCMRSA-N	-1	0	271.247	2.815	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccnc(F)c1	ZINC000794718554	629679028	/nfs/dbraw/zinc/67/90/28/629679028.db2.gz	AXDBAYLUTFMXHT-HNQUOIGGSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccnc(F)c2)cc1	ZINC000794719117	629679095	/nfs/dbraw/zinc/67/90/95/629679095.db2.gz	MQBMNPZNTWFCMI-UTCJRWHESA-N	-1	0	271.247	2.815	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)c(F)c2)n1	ZINC000794857344	629696030	/nfs/dbraw/zinc/69/60/30/629696030.db2.gz	SUSDUJWRBXYEGD-DDWFUMEVSA-N	-1	0	290.273	2.880	20	30		CFEDRM
O=C1Nc2ccc(Cl)cc2C1=N[N-]c1ncccc1F	ZINC000794985377	629717908	/nfs/dbraw/zinc/71/79/08/629717908.db2.gz	SFGKJRHKYYCNNK-UHFFFAOYSA-N	-1	0	290.685	2.642	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2	ZINC000835562258	629842621	/nfs/dbraw/zinc/84/26/21/629842621.db2.gz	BHOOVEAZPNUBMT-GFJIZPEISA-N	-1	0	299.436	2.613	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncs2)cc1	ZINC000796747920	629959330	/nfs/dbraw/zinc/95/93/30/629959330.db2.gz	RNMFBFKBEXFWJG-GFCCVEGCSA-N	-1	0	299.355	2.667	20	30		CFEDRM
C#Cc1cccc(NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1	ZINC000797737186	630098808	/nfs/dbraw/zinc/09/88/08/630098808.db2.gz	SWACPWQBCXFSRM-CQSZACIVSA-N	-1	0	288.347	2.631	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1	ZINC000798155410	630156981	/nfs/dbraw/zinc/15/69/81/630156981.db2.gz	LYMGAXIMIJCYKL-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1C1CC1	ZINC000798815015	630241679	/nfs/dbraw/zinc/24/16/79/630241679.db2.gz	GECXOPMBONLSDD-CYBMUJFWSA-N	-1	0	288.347	2.786	20	30		CFEDRM
COc1ccccc1CON=Cc1ccccc1C(=O)[O-]	ZINC000799118205	630277791	/nfs/dbraw/zinc/27/77/91/630277791.db2.gz	UVJZCAQSRNGLBU-UHFFFAOYSA-N	-1	0	285.299	2.944	20	30		CFEDRM
CC1(C)SC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801646431	630463566	/nfs/dbraw/zinc/46/35/66/630463566.db2.gz	RFFMTTGFTZJDBO-PZHUPROXSA-N	-1	0	266.322	2.613	20	30		CFEDRM
Cc1oc(C(C)C)nc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000802892108	630560672	/nfs/dbraw/zinc/56/06/72/630560672.db2.gz	ZNHGOOJMWBUTME-UHFFFAOYSA-N	-1	0	285.303	2.936	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C\c2cccnc2)C(=O)c2ccccc21	ZINC000806559593	630812425	/nfs/dbraw/zinc/81/24/25/630812425.db2.gz	DEIPBUZOFFQNCN-INDWDQIESA-N	-1	0	279.295	2.920	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(Br)cc2)CC1	ZINC000837043143	630939372	/nfs/dbraw/zinc/93/93/72/630939372.db2.gz	LWQLHBAVMOYZAO-UHFFFAOYSA-N	-1	0	296.164	2.715	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccccc2Cl)CCOCC1	ZINC000837047028	630944775	/nfs/dbraw/zinc/94/47/75/630944775.db2.gz	VBZLHSZVDDCDKB-UHFFFAOYSA-N	-1	0	295.766	2.622	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(OC)c2)CCCC1	ZINC000837046831	630945075	/nfs/dbraw/zinc/94/50/75/630945075.db2.gz	PWXKACYICQVWMV-UHFFFAOYSA-N	-1	0	275.348	2.741	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1	ZINC000837047942	630946210	/nfs/dbraw/zinc/94/62/10/630946210.db2.gz	KZUNTLKJKXEXQN-UPJWGTAASA-N	-1	0	255.358	2.594	20	30		CFEDRM
O=C(C#CC1CC1)Nc1cc(F)cc(Cl)c1[O-]	ZINC000837536633	631059121	/nfs/dbraw/zinc/05/91/21/631059121.db2.gz	AOIDPQFSPLVNFC-UHFFFAOYSA-N	-1	0	253.660	2.537	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837641025	631094331	/nfs/dbraw/zinc/09/43/31/631094331.db2.gz	UENFRZURNLFASJ-JTQLQIEISA-N	-1	0	279.292	2.946	20	30		CFEDRM
N#CCCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837730867	631117962	/nfs/dbraw/zinc/11/79/62/631117962.db2.gz	WSGBYTKVHXTSTH-UHFFFAOYSA-N	-1	0	292.291	2.818	20	30		CFEDRM
CCCCCCCCCCC(=O)Nc1nn[nH]n1	ZINC000102895103	631119212	/nfs/dbraw/zinc/11/92/12/631119212.db2.gz	TXDXLGOOUTVIIZ-UHFFFAOYSA-N	-1	0	253.350	2.669	20	30		CFEDRM
C[C@@H]1CC[C@@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1	ZINC000840708905	631175592	/nfs/dbraw/zinc/17/55/92/631175592.db2.gz	FRSKWHGVMDBDPD-PUZJBMRASA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000042242289	649996808	/nfs/dbraw/zinc/99/68/08/649996808.db2.gz	SHRLKJHZADZTJH-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccsc1	ZINC000042343437	649997859	/nfs/dbraw/zinc/99/78/59/649997859.db2.gz	GTOCGGYIMVAZRQ-UHFFFAOYSA-N	-1	0	275.395	2.767	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)nc1	ZINC000810536811	631383115	/nfs/dbraw/zinc/38/31/15/631383115.db2.gz	OIGOBHCJZOOKGV-AWEZNQCLSA-N	-1	0	299.374	2.586	20	30		CFEDRM
C=CCC1(C(=O)NCCc2n[n-]c(=S)o2)CCCCC1	ZINC000841421650	631402773	/nfs/dbraw/zinc/40/27/73/631402773.db2.gz	ASSXEBXKKPHURP-UHFFFAOYSA-N	-1	0	295.408	2.544	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2CCCCCC2)CC1	ZINC000810983915	631491240	/nfs/dbraw/zinc/49/12/40/631491240.db2.gz	LMXIPKPTIWJDIB-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCC2)CC1	ZINC000810982286	631491367	/nfs/dbraw/zinc/49/13/67/631491367.db2.gz	MVXAJNSJTQWSND-GFCCVEGCSA-N	-1	0	299.436	2.758	20	30		CFEDRM
CC[C@H](Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)OC	ZINC000842034863	631508601	/nfs/dbraw/zinc/50/86/01/631508601.db2.gz	YUAIAPJVNYUKSQ-LLVKDONJSA-N	-1	0	279.384	2.767	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1ccc(C(=O)[O-])cc1	ZINC000811668252	631603037	/nfs/dbraw/zinc/60/30/37/631603037.db2.gz	CUJZXPQLJUTHRW-LTLPNOEFSA-N	-1	0	253.685	2.878	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)n1	ZINC000811687792	631606089	/nfs/dbraw/zinc/60/60/89/631606089.db2.gz	IVHPDYHMPRWNQI-RJRFIUFISA-N	-1	0	290.325	2.671	20	30		CFEDRM
COC(=O)c1cc(/C=C\C(=O)c2ccc(C)cc2[O-])cn1C	ZINC000811692358	631607362	/nfs/dbraw/zinc/60/73/62/631607362.db2.gz	FABOWYHHZLQACO-ALCCZGGFSA-N	-1	0	299.326	2.722	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cnccc1C	ZINC000842393034	631617021	/nfs/dbraw/zinc/61/70/21/631617021.db2.gz	FQFUIXVOLPJSKR-UHFFFAOYSA-N	-1	0	298.408	2.555	20	30		CFEDRM
CC(=NOCCOC(C)C)c1ccccc1C(=O)[O-]	ZINC000812238667	631675842	/nfs/dbraw/zinc/67/58/42/631675842.db2.gz	CPXLISGSMQEDOF-UHFFFAOYSA-N	-1	0	265.309	2.550	20	30		CFEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NOC2CCC2)cc1	ZINC000812238337	631675940	/nfs/dbraw/zinc/67/59/40/631675940.db2.gz	SRNPERHSNTXUDM-UHFFFAOYSA-N	-1	0	285.246	2.646	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccccc2[O-])c(C(F)F)n1	ZINC000812243605	631678101	/nfs/dbraw/zinc/67/81/01/631678101.db2.gz	PKBRCZUCBLHZTK-SREVYHEPSA-N	-1	0	278.258	2.959	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1(F)CC1	ZINC000842681390	631705829	/nfs/dbraw/zinc/70/58/29/631705829.db2.gz	DDUZMONFHVKULK-NSHDSACASA-N	-1	0	284.290	2.870	20	30		CFEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1F	ZINC000812445969	631719316	/nfs/dbraw/zinc/71/93/16/631719316.db2.gz	HYMVAXUVQXFGJS-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
C#CCC(CC#C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000812703384	631761504	/nfs/dbraw/zinc/76/15/04/631761504.db2.gz	BAMLANTUJKWVJX-UHFFFAOYSA-N	-1	0	283.327	2.586	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1nc(C2CC2)cs1	ZINC000842940601	631788265	/nfs/dbraw/zinc/78/82/65/631788265.db2.gz	CRPKRWUZDVDBFW-LLVKDONJSA-N	-1	0	274.345	2.891	20	30		CFEDRM
Cc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1O	ZINC000814687449	632108984	/nfs/dbraw/zinc/10/89/84/632108984.db2.gz	JHZOAXCDCKHREC-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
O=C([O-])c1cc(N=NC[C@H]2CCCOC2)ccc1Cl	ZINC000814689638	632109183	/nfs/dbraw/zinc/10/91/83/632109183.db2.gz	CBGADAYUXAVINC-SECBINFHSA-N	-1	0	282.727	2.863	20	30		CFEDRM
CC(N=Nc1ccc(Cl)nn1)c1csc(C(=O)[O-])c1	ZINC000814697737	632110812	/nfs/dbraw/zinc/11/08/12/632110812.db2.gz	AJFDEACRCJASHM-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
CC(=NNCc1ccccc1)c1csc(C(=O)[O-])c1	ZINC000814751067	632118197	/nfs/dbraw/zinc/11/81/97/632118197.db2.gz	FHZWASHBZDGRNM-UHFFFAOYSA-N	-1	0	274.345	2.960	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814764478	632120006	/nfs/dbraw/zinc/12/00/06/632120006.db2.gz	WJVLUDVKDIDJBV-QWRGUYRKSA-N	-1	0	299.440	2.518	20	30		CFEDRM
COc1ccc(CNN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814810832	632129670	/nfs/dbraw/zinc/12/96/70/632129670.db2.gz	IQUAFQVPVPSERS-WCQYABFASA-N	-1	0	290.363	2.662	20	30		CFEDRM
C[C@@H]1C(=NNCc2cc(F)ccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814808713	632129808	/nfs/dbraw/zinc/12/98/08/632129808.db2.gz	GOOBSXZDTCVYHI-UWVGGRQHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccnc3ccccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814841217	632135874	/nfs/dbraw/zinc/13/58/74/632135874.db2.gz	HBBNJDPNRCFRQD-NWDGAFQWSA-N	-1	0	297.358	2.945	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)nn1	ZINC000814840993	632136103	/nfs/dbraw/zinc/13/61/03/632136103.db2.gz	WZZNUIBIHPILGW-WDEREUQCSA-N	-1	0	290.367	2.710	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(F)cn1	ZINC000814842655	632137273	/nfs/dbraw/zinc/13/72/73/632137273.db2.gz	NMDMEBQEAGYBQV-UHFFFAOYSA-N	-1	0	287.294	2.982	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(F)cn2)CC[C@H]1C(=O)[O-]	ZINC000814842276	632137330	/nfs/dbraw/zinc/13/73/30/632137330.db2.gz	ACOUHPHYQGFIKD-LDYMZIIASA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(N=Nc1nccnc1Cl)c1cc(C(=O)[O-])cs1	ZINC000814850187	632137986	/nfs/dbraw/zinc/13/79/86/632137986.db2.gz	CDNQBYUIHZKMDC-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)n1	ZINC000814854893	632139933	/nfs/dbraw/zinc/13/99/33/632139933.db2.gz	ALMSUNZHZVQUEF-VXNVDRBHSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])C[C@H]2C)c1	ZINC000814868237	632141997	/nfs/dbraw/zinc/14/19/97/632141997.db2.gz	YBWXUCKLLDCEBK-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CC(=NNc1ccncc1Cl)c1csc(C(=O)[O-])c1	ZINC000814870234	632143682	/nfs/dbraw/zinc/14/36/82/632143682.db2.gz	SSJBTXZGUTYSGW-UHFFFAOYSA-N	-1	0	295.751	2.753	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cc(F)ccc1F	ZINC000814872251	632144370	/nfs/dbraw/zinc/14/43/70/632144370.db2.gz	IASCKBVFBTUOFG-ZJUUUORDSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(C#N)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814882119	632147595	/nfs/dbraw/zinc/14/75/95/632147595.db2.gz	DNYIUWKAVNISSG-SMDDNHRTSA-N	-1	0	285.347	2.525	20	30		CFEDRM
C[C@H]1C(N=Nc2ccnc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814902428	632156496	/nfs/dbraw/zinc/15/64/96/632156496.db2.gz	NBASSANWYIVKJL-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1CC(=NNC2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814909242	632159769	/nfs/dbraw/zinc/15/97/69/632159769.db2.gz	IYYDCXDKZKIIMB-MFKMUULPSA-N	-1	0	252.358	2.786	20	30		CFEDRM
COc1ccc(NN=C(C)c2csc(C(=O)[O-])c2)nc1	ZINC000814908887	632159801	/nfs/dbraw/zinc/15/98/01/632159801.db2.gz	FRNMHKDUFUJAJW-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
C[C@@H]1C(=NN[C@H]2CCSC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814933560	632171777	/nfs/dbraw/zinc/17/17/77/632171777.db2.gz	RUFAMENWWXECDG-VWYCJHECSA-N	-1	0	284.425	2.594	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCC1CCCC1	ZINC000814933718	632172060	/nfs/dbraw/zinc/17/20/60/632172060.db2.gz	YDUIFRUUBSOSSP-PWSUYJOCSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CC(=NOCCOC(C)C)c1cc(C(=O)[O-])cs1	ZINC000814937056	632174216	/nfs/dbraw/zinc/17/42/16/632174216.db2.gz	SQFWUMBIRZSIIK-UHFFFAOYSA-N	-1	0	271.338	2.612	20	30		CFEDRM
CC[C@H](NN=C1CCCCC12CCCC2)C(=O)[O-]	ZINC000814937124	632174480	/nfs/dbraw/zinc/17/44/80/632174480.db2.gz	VSWWIQOKNDCPAQ-NSHDSACASA-N	-1	0	252.358	2.930	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCC2CC2)C1	ZINC000814940990	632175952	/nfs/dbraw/zinc/17/59/52/632175952.db2.gz	KRMQGSWGMMXQRJ-UHFFFAOYSA-N	-1	0	259.305	2.585	20	30		CFEDRM
CC(=NOCC1CC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814940951	632176029	/nfs/dbraw/zinc/17/60/29/632176029.db2.gz	IIZQPYQSVOHIFO-LLVKDONJSA-N	-1	0	277.320	2.689	20	30		CFEDRM
COc1ccc(Cl)cc1C(CC(C)C)=NNCC(=O)[O-]	ZINC000814956934	632179018	/nfs/dbraw/zinc/17/90/18/632179018.db2.gz	PTMXIOHDNWYQLV-UHFFFAOYSA-N	-1	0	298.770	2.773	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccccc1SC(C)(C)C	ZINC000814956541	632179248	/nfs/dbraw/zinc/17/92/48/632179248.db2.gz	CUIUJXYYKCPCBF-UHFFFAOYSA-N	-1	0	280.393	2.975	20	30		CFEDRM
Cc1ccc(C(Cc2ccccc2)=NNCC(=O)[O-])cc1C	ZINC000814960215	632180392	/nfs/dbraw/zinc/18/03/92/632180392.db2.gz	MYIZJTQTSBVNCK-UHFFFAOYSA-N	-1	0	296.370	2.924	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@H]1C1CCCCC1	ZINC000814960245	632180677	/nfs/dbraw/zinc/18/06/77/632180677.db2.gz	IVQHGHBGEUMWCY-LBPRGKRZSA-N	-1	0	252.358	2.787	20	30		CFEDRM
C=C[C@@H](C)ON=C(O)N=c1nc(SCCC)[n-]s1	ZINC000844560097	632246183	/nfs/dbraw/zinc/24/61/83/632246183.db2.gz	ZLTFUBWSJQQXHJ-SSDOTTSWSA-N	-1	0	288.398	2.668	20	30		CFEDRM
COCC(CC(C)(C)C)=NNc1cnnc([O-])c1Cl	ZINC000844573428	632250341	/nfs/dbraw/zinc/25/03/41/632250341.db2.gz	NRLICEFEMDCXOY-UHFFFAOYSA-N	-1	0	286.763	2.686	20	30		CFEDRM
CO[C@](C)(CN=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000844623372	632266646	/nfs/dbraw/zinc/26/66/46/632266646.db2.gz	MMCNKLLQIHMFNF-OAHLLOKOSA-N	-1	0	276.336	2.906	20	30		CFEDRM
Cc1c(N=NCCC[C@@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844622522	632266695	/nfs/dbraw/zinc/26/66/95/632266695.db2.gz	FHWTXGJTDFEVJL-GFCCVEGCSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(N=NCC2(C)CCOCC2)cccc1C(=O)[O-]	ZINC000844623043	632266702	/nfs/dbraw/zinc/26/67/02/632266702.db2.gz	HCDFMLPVXHUQNE-UHFFFAOYSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(N=NC[C@@H]2CCSC2)cccc1C(=O)[O-]	ZINC000844622931	632266916	/nfs/dbraw/zinc/26/69/16/632266916.db2.gz	JBNHOEWNWUVBSL-JTQLQIEISA-N	-1	0	264.350	2.844	20	30		CFEDRM
C=C[C@@H](C)ON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000844626289	632268880	/nfs/dbraw/zinc/26/88/80/632268880.db2.gz	SZOMNQLWNCOMGJ-ZWNOBZJWSA-N	-1	0	259.305	2.944	20	30		CFEDRM
Cc1nc(C(C)C)oc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815877657	632327886	/nfs/dbraw/zinc/32/78/86/632327886.db2.gz	ASBGWNHWQMSZIS-UHFFFAOYSA-N	-1	0	285.303	2.936	20	30		CFEDRM
C=C(C)CC[C@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000845866888	632586570	/nfs/dbraw/zinc/58/65/70/632586570.db2.gz	QHLJBSQCXREKNG-VIFPVBQESA-N	-1	0	295.301	2.732	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1	ZINC000845887879	632591741	/nfs/dbraw/zinc/59/17/41/632591741.db2.gz	QCQOOLLNIPKBND-NWDGAFQWSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000846137936	632643124	/nfs/dbraw/zinc/64/31/24/632643124.db2.gz	PBWZCUGFIKYDTD-UONOGXRCSA-N	-1	0	281.396	2.916	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(C)(C)C	ZINC000846151783	632648121	/nfs/dbraw/zinc/64/81/21/632648121.db2.gz	HAUNIRYCWNZTEC-NSHDSACASA-N	-1	0	290.363	2.545	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1c(Cl)ccc(C)c1C	ZINC000846156845	632648768	/nfs/dbraw/zinc/64/87/68/632648768.db2.gz	PENIWUOMRIYZOL-VIFPVBQESA-N	-1	0	296.754	2.518	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000817618083	632677209	/nfs/dbraw/zinc/67/72/09/632677209.db2.gz	SYGUCGKGLPAVDZ-UHFFFAOYSA-N	-1	0	289.360	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@H]1CCCc2ccccc21	ZINC000846533874	632724477	/nfs/dbraw/zinc/72/44/77/632724477.db2.gz	OSGAGDGJZCQNFB-HNNXBMFYSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1CCCC[C@@H]1CC	ZINC000846535491	632724788	/nfs/dbraw/zinc/72/47/88/632724788.db2.gz	BMCWGWCPINIHCP-QWHCGFSZSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	ZINC000846537144	632726721	/nfs/dbraw/zinc/72/67/21/632726721.db2.gz	BWMAUZXKDKDSSO-GFCCVEGCSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1	ZINC000846538008	632727498	/nfs/dbraw/zinc/72/74/98/632727498.db2.gz	RGQQXCKPAOTDHC-MJBXVCDLSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cc(C)ccc1Cl	ZINC000846540972	632729496	/nfs/dbraw/zinc/72/94/96/632729496.db2.gz	NQSHXNHMVBICGW-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl	ZINC000846543993	632731711	/nfs/dbraw/zinc/73/17/11/632731711.db2.gz	DJYCYQRTJMBFDG-RKDXNWHRSA-N	-1	0	287.718	2.869	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000846544649	632732923	/nfs/dbraw/zinc/73/29/23/632732923.db2.gz	XUXMKTYQJFFOPZ-VHSXEESVSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCSc2ccccc21	ZINC000846545849	632733685	/nfs/dbraw/zinc/73/36/85/632733685.db2.gz	JAOGYYAFKROVNM-CMPLNLGQSA-N	-1	0	263.362	2.888	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](SC)c1ccccc1	ZINC000846545299	632734302	/nfs/dbraw/zinc/73/43/02/632734302.db2.gz	NGCRRONJTHYQPP-ZYHUDNBSSA-N	-1	0	251.351	2.713	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCCc2sccc21	ZINC000846547705	632736237	/nfs/dbraw/zinc/73/62/37/632736237.db2.gz	LUCIOAIAUDAKPZ-ONGXEEELSA-N	-1	0	251.351	2.790	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	ZINC000846547683	632736808	/nfs/dbraw/zinc/73/68/08/632736808.db2.gz	FEVNUTCZXQPWNN-SECBINFHSA-N	-1	0	296.298	2.634	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccccc2C)CCOCC1	ZINC000846548753	632737737	/nfs/dbraw/zinc/73/77/37/632737737.db2.gz	GSTBGTULIWSQSD-AWEZNQCLSA-N	-1	0	289.375	2.666	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)[C@@H]1OCCc2sccc21	ZINC000846552442	632739479	/nfs/dbraw/zinc/73/94/79/632739479.db2.gz	HSPBQZWPHKNMAF-KWBADKCTSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(OC)cc1	ZINC000846551676	632740026	/nfs/dbraw/zinc/74/00/26/632740026.db2.gz	XTOYZZCEQOURKS-GHMZBOCLSA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CN(CC)Cc1ccccc1Cl	ZINC000846552887	632740518	/nfs/dbraw/zinc/74/05/18/632740518.db2.gz	SDAMXZDWAJLMJV-LBPRGKRZSA-N	-1	0	296.798	2.784	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1CCCc2ccccc21	ZINC000846553145	632740661	/nfs/dbraw/zinc/74/06/61/632740661.db2.gz	YIQAXKMGAYINJP-SWLSCSKDSA-N	-1	0	275.348	2.703	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000848280577	633230033	/nfs/dbraw/zinc/23/00/33/633230033.db2.gz	IPLMLQIEIOLRPU-VIFPVBQESA-N	-1	0	281.714	2.670	20	30		CFEDRM
COC1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000848415206	633253088	/nfs/dbraw/zinc/25/30/88/633253088.db2.gz	YMLXCZISWYSSBV-UHFFFAOYSA-N	-1	0	276.336	2.671	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848414133	633253319	/nfs/dbraw/zinc/25/33/19/633253319.db2.gz	JQLGOXTZHSVZSM-CQSZACIVSA-N	-1	0	264.325	2.527	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NCCC[C@@H]2CCOC2)cc1	ZINC000848415221	633253385	/nfs/dbraw/zinc/25/33/85/633253385.db2.gz	YRJFRAQXFCCGQM-CYBMUJFWSA-N	-1	0	276.336	2.528	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2cccc(C(F)F)c2C#N)C1	ZINC000852909044	634858670	/nfs/dbraw/zinc/85/86/70/634858670.db2.gz	OBQMFHHTWFYNAT-CQSZACIVSA-N	-1	0	280.274	2.797	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000852912895	634860122	/nfs/dbraw/zinc/86/01/22/634860122.db2.gz	HTBMZLXHBDCFDT-AWEZNQCLSA-N	-1	0	286.331	2.674	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@H](C(=O)[O-])C(C)C	ZINC000848638200	633304790	/nfs/dbraw/zinc/30/47/90/633304790.db2.gz	QJKPANOSVYSGGC-ZDUSSCGKSA-N	-1	0	274.320	2.530	20	30		CFEDRM
CC1(C)C[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000849169175	633577458	/nfs/dbraw/zinc/57/74/58/633577458.db2.gz	BWJDPEQVZCFTET-WRCICQQISA-N	-1	0	298.726	2.940	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1ccccc1[O-]	ZINC000849246837	633589829	/nfs/dbraw/zinc/58/98/29/633589829.db2.gz	LTDZHFRDMWGHHP-CMDGGOBGSA-N	-1	0	269.304	2.605	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000849247412	633589882	/nfs/dbraw/zinc/58/98/82/633589882.db2.gz	SLYAPQLOQBNYLP-SREVYHEPSA-N	-1	0	284.315	2.605	20	30		CFEDRM
CC#Cc1cccc(-c2cnn([C@H](C)CC(=O)[O-])c2)c1	ZINC000849475506	633638475	/nfs/dbraw/zinc/63/84/75/633638475.db2.gz	CAIJVUJTHKTDKD-GFCCVEGCSA-N	-1	0	268.316	2.957	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850760611	634081924	/nfs/dbraw/zinc/08/19/24/634081924.db2.gz	VJZDFVXSYHFIOM-MRXNPFEDSA-N	-1	0	296.370	2.969	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)CC	ZINC000850837441	634106730	/nfs/dbraw/zinc/10/67/30/634106730.db2.gz	PYZBRRQXJWOOSF-LBPRGKRZSA-N	-1	0	277.430	2.839	20	30		CFEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)CC(F)F	ZINC000851358718	634341778	/nfs/dbraw/zinc/34/17/78/634341778.db2.gz	PGLGJEZTFBGMAC-UHFFFAOYSA-N	-1	0	299.383	2.838	20	30		CFEDRM
CO[C@@]1(C)C[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000852998762	634871552	/nfs/dbraw/zinc/87/15/52/634871552.db2.gz	RBACTXHDCDXTIY-JBBDPAKISA-N	-1	0	284.699	2.550	20	30		CFEDRM
CON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853290208	634960007	/nfs/dbraw/zinc/96/00/07/634960007.db2.gz	YDUYXZCFIYMQKR-UHFFFAOYSA-N	-1	0	251.282	2.542	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CC(CF)(CF)C2)cc1	ZINC000853370852	634985029	/nfs/dbraw/zinc/98/50/29/634985029.db2.gz	YNBLRQVPEOLNHF-UHFFFAOYSA-N	-1	0	282.290	2.801	20	30		CFEDRM
CC[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)CO1	ZINC000853370833	634985246	/nfs/dbraw/zinc/98/52/46/634985246.db2.gz	YCRKEDRELBNBSK-LLVKDONJSA-N	-1	0	262.309	2.660	20	30		CFEDRM
CC(=NN1CCCC[C@@H]1C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000853379384	634987526	/nfs/dbraw/zinc/98/75/26/634987526.db2.gz	IHQRUTKIZQLLQA-JTQLQIEISA-N	-1	0	289.379	2.995	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN1CCCC[C@H]1C	ZINC000853382031	634988772	/nfs/dbraw/zinc/98/87/72/634988772.db2.gz	QUEXIWMFLLFMPU-IJLUTSLNSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN1CCCC[C@@H]1C	ZINC000853382033	634989260	/nfs/dbraw/zinc/98/92/60/634989260.db2.gz	QUEXIWMFLLFMPU-WOPDTQHZSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccncc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000853403013	634995683	/nfs/dbraw/zinc/99/56/83/634995683.db2.gz	PXNBUQVGHJIVLK-ZJUUUORDSA-N	-1	0	293.342	2.567	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCC2CCC2)cc1F	ZINC000853441310	635001680	/nfs/dbraw/zinc/00/16/80/635001680.db2.gz	VNAZETDXHFTMKF-UHFFFAOYSA-N	-1	0	251.257	2.675	20	30		CFEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854530917	635329187	/nfs/dbraw/zinc/32/91/87/635329187.db2.gz	DJWTYLZHBGUEAK-CQSZACIVSA-N	-1	0	287.344	2.539	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000112785772	635421155	/nfs/dbraw/zinc/42/11/55/635421155.db2.gz	ZKSUWMPZVUVNMO-CQSZACIVSA-N	-1	0	255.358	2.813	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc2ccccc21	ZINC000113654037	635644198	/nfs/dbraw/zinc/64/41/98/635644198.db2.gz	UQNKMJNFJUUDFO-CYBMUJFWSA-N	-1	0	296.326	2.814	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cccnc2)CCCC1	ZINC000856035903	635709741	/nfs/dbraw/zinc/70/97/41/635709741.db2.gz	NAVLNGNGTSQPKU-UHFFFAOYSA-N	-1	0	260.337	2.517	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(/C)c1cccs1)C(=O)[O-]	ZINC000856926227	635886383	/nfs/dbraw/zinc/88/63/83/635886383.db2.gz	RMOPXCZKLDDAFN-JUDLJHIGSA-N	-1	0	279.361	2.687	20	30		CFEDRM
O=c1[n-]c(N=NC[C@@H]2CCCOCC2)nc2ccccc21	ZINC000857208747	635947143	/nfs/dbraw/zinc/94/71/43/635947143.db2.gz	GZJSMJBJSHSOJZ-LLVKDONJSA-N	-1	0	286.335	2.550	20	30		CFEDRM
Cc1c(N=NC[C@H]2CCCOCC2)cccc1C(=O)[O-]	ZINC000857210848	635947798	/nfs/dbraw/zinc/94/77/98/635947798.db2.gz	FNEZROCVXAJEST-LBPRGKRZSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2)c1C	ZINC000048405454	650265390	/nfs/dbraw/zinc/26/53/90/650265390.db2.gz	JLOMZACFBREQLH-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000048504271	650269008	/nfs/dbraw/zinc/26/90/08/650269008.db2.gz	PUFZEAOWSSOCAL-CSKARUKUSA-N	-1	0	290.344	2.560	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c1	ZINC000048519487	650270108	/nfs/dbraw/zinc/27/01/08/650270108.db2.gz	AHKQISHTXVLERT-LBPRGKRZSA-N	-1	0	290.344	2.560	20	30		CFEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)C(C)C	ZINC000194598250	636794487	/nfs/dbraw/zinc/79/44/87/636794487.db2.gz	VYGVIJINOZCILL-UHFFFAOYSA-N	-1	0	277.430	2.982	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]c1C1CC1	ZINC000860472905	636892523	/nfs/dbraw/zinc/89/25/23/636892523.db2.gz	FUCIUBILXZWBJB-ZDUSSCGKSA-N	-1	0	299.374	2.617	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C1(C(F)F)CC1	ZINC000861164661	637099477	/nfs/dbraw/zinc/09/94/77/637099477.db2.gz	ALLNBHDYKWOVCO-UHFFFAOYSA-N	-1	0	297.367	2.591	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc([C@@H](C)CC)c1	ZINC000861899371	637254160	/nfs/dbraw/zinc/25/41/60/637254160.db2.gz	RAHAVYBYKQABQT-LBPRGKRZSA-N	-1	0	290.363	2.763	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)OCc1ccc(C)cc1	ZINC000862133332	637278846	/nfs/dbraw/zinc/27/88/46/637278846.db2.gz	YAYKUHVPQZDSBT-OLZOCXBDSA-N	-1	0	263.337	2.522	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H]2CCc3ccccc3C2)n1	ZINC000863062973	637546767	/nfs/dbraw/zinc/54/67/67/637546767.db2.gz	KMFNMWJGTGLASU-LBPRGKRZSA-N	-1	0	282.347	2.693	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@H]1CCCCO1	ZINC000863075729	637550809	/nfs/dbraw/zinc/55/08/09/637550809.db2.gz	WUGGKCLYAYDFNB-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC[C@@H](NN=Cc1ccsc1C(F)(F)F)C(=O)[O-]	ZINC000863114792	637561198	/nfs/dbraw/zinc/56/11/98/637561198.db2.gz	UOBNXPRDDXQKCI-SSDOTTSWSA-N	-1	0	280.271	2.554	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864144120	637892196	/nfs/dbraw/zinc/89/21/96/637892196.db2.gz	WCPNOELUQRMFRH-TVRMLOFPSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1	ZINC000864156194	637895784	/nfs/dbraw/zinc/89/57/84/637895784.db2.gz	MWQAQKYLHQQBMU-CRALRDPISA-N	-1	0	289.331	2.806	20	30		CFEDRM
CCCCCCCNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000864160996	637896888	/nfs/dbraw/zinc/89/68/88/637896888.db2.gz	WLBZSTWJSDHVHY-UHFFFAOYSA-N	-1	0	293.363	2.850	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000864183297	637906327	/nfs/dbraw/zinc/90/63/27/637906327.db2.gz	RPBNMHUVQZZBFF-OLZOCXBDSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000864183524	637906355	/nfs/dbraw/zinc/90/63/55/637906355.db2.gz	GQJZIFZBOJIOCC-LSJOCFKGSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000864183274	637906453	/nfs/dbraw/zinc/90/64/53/637906453.db2.gz	DHKDQYCVJXBVOQ-VIFPVBQESA-N	-1	0	287.768	2.636	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000864182624	637906478	/nfs/dbraw/zinc/90/64/78/637906478.db2.gz	BQCFMLAYKBLBNN-ABZNLYFFSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000864185190	637907208	/nfs/dbraw/zinc/90/72/08/637907208.db2.gz	VWEOEIFRZHIPMM-SNVBAGLBSA-N	-1	0	275.776	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](C)CCC)C(=O)[O-]	ZINC000864184956	637907326	/nfs/dbraw/zinc/90/73/26/637907326.db2.gz	UMHXXBTYBHPOGY-SCZZXKLOSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C/SCc1ccco1)C(=O)[O-]	ZINC000864188761	637909349	/nfs/dbraw/zinc/90/93/49/637909349.db2.gz	VCRYOGKMOWSFJA-HOSRBBHYSA-N	-1	0	295.360	2.562	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000864188912	637909645	/nfs/dbraw/zinc/90/96/45/637909645.db2.gz	XNMOYVZKDWQVMQ-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
CCC[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000864344711	637945505	/nfs/dbraw/zinc/94/55/05/637945505.db2.gz	FMDZPVGGUBMXTA-MLJKTZRHSA-N	-1	0	280.324	2.925	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864520181	638010094	/nfs/dbraw/zinc/01/00/94/638010094.db2.gz	MNQQTMKOSCICBB-TZMCWYRMSA-N	-1	0	290.363	2.509	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1	ZINC000076757790	650402161	/nfs/dbraw/zinc/40/21/61/650402161.db2.gz	SZVJCYXLMVMFPM-UHFFFAOYSA-N	-1	0	295.360	2.725	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1ccc(O)cc1[O-])CCCC2	ZINC000865221250	638227510	/nfs/dbraw/zinc/22/75/10/638227510.db2.gz	WKODRNLAMVQCRQ-HJWRWDBZSA-N	-1	0	298.342	2.606	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CCOCC2)c1[O-]	ZINC000077552296	650430854	/nfs/dbraw/zinc/43/08/54/650430854.db2.gz	FXLPJGRQSZFYLL-VGOFMYFVSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C[C@H](NC1(C(F)F)CC1)c1cccc(C#N)c1[O-]	ZINC000866354557	638803065	/nfs/dbraw/zinc/80/30/65/638803065.db2.gz	PCRGIFRSIRTHJX-QMMMGPOBSA-N	-1	0	252.264	2.712	20	30		CFEDRM
CCC(F)(F)CN[C@H](C)c1cccc(C#N)c1[O-]	ZINC000866400242	638815258	/nfs/dbraw/zinc/81/52/58/638815258.db2.gz	WMTWLRLBYWVVKR-SECBINFHSA-N	-1	0	254.280	2.960	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)o1	ZINC000077881028	650459067	/nfs/dbraw/zinc/45/90/67/650459067.db2.gz	LXGGFVATUHQHLN-NSHDSACASA-N	-1	0	293.344	2.984	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)o1	ZINC000077926317	650463710	/nfs/dbraw/zinc/46/37/10/650463710.db2.gz	QIXVHSIKDFOJGF-UHFFFAOYSA-N	-1	0	285.708	2.627	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)C1CCCCC1	ZINC000191247831	650485082	/nfs/dbraw/zinc/48/50/82/650485082.db2.gz	YZNLYUHIFYGVLC-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(SC(C)C)cc1	ZINC000191264251	650485887	/nfs/dbraw/zinc/48/58/87/650485887.db2.gz	NJWLVTYETUMGEN-UHFFFAOYSA-N	-1	0	293.388	2.900	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccc2ccccc2c1	ZINC000191255994	650485989	/nfs/dbraw/zinc/48/59/89/650485989.db2.gz	PTXVDKHTTZMNRI-UHFFFAOYSA-N	-1	0	297.354	2.872	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)s1	ZINC000870160209	639530605	/nfs/dbraw/zinc/53/06/05/639530605.db2.gz	WMFFRHNZUINNNO-LBPRGKRZSA-N	-1	0	290.388	2.746	20	30		CFEDRM
N#CC(=C([O-])c1coc(C#N)c1)c1nc(C2CC2)cs1	ZINC000870443823	639641897	/nfs/dbraw/zinc/64/18/97/639641897.db2.gz	AYXPNVLDZRQOAZ-LLVKDONJSA-N	-1	0	283.312	2.975	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000078701021	650524972	/nfs/dbraw/zinc/52/49/72/650524972.db2.gz	SISXOCYGJDPXIT-UHFFFAOYSA-N	-1	0	273.741	2.951	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)CC)CCC1	ZINC000870660880	639755931	/nfs/dbraw/zinc/75/59/31/639755931.db2.gz	MBAWRRGWXTXWSJ-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCCCC(=O)C2)c1	ZINC000870691038	639773322	/nfs/dbraw/zinc/77/33/22/639773322.db2.gz	YCXZNFGSGRRMDK-ZDUSSCGKSA-N	-1	0	286.331	2.508	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1	ZINC000870690707	639773749	/nfs/dbraw/zinc/77/37/49/639773749.db2.gz	TYHKXNRDGBLAIW-OSAQELSMSA-N	-1	0	268.316	2.571	20	30		CFEDRM
CCS[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)C	ZINC000870692647	639774506	/nfs/dbraw/zinc/77/45/06/639774506.db2.gz	JDNYLIVSHMCKCA-ZDUSSCGKSA-N	-1	0	278.377	2.746	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)CCC1	ZINC000192186658	650547383	/nfs/dbraw/zinc/54/73/83/650547383.db2.gz	DCDQKGRTISYIIL-UHFFFAOYSA-N	-1	0	293.388	2.546	20	30		CFEDRM
COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000079149670	650564806	/nfs/dbraw/zinc/56/48/06/650564806.db2.gz	ARTBRYVUYGYAFN-LLVKDONJSA-N	-1	0	299.392	2.884	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000193368501	650647632	/nfs/dbraw/zinc/64/76/32/650647632.db2.gz	PYOSMENLAWNJPG-AWEZNQCLSA-N	-1	0	272.348	2.624	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000193367850	650647649	/nfs/dbraw/zinc/64/76/49/650647649.db2.gz	RZGCBVINBTXUCF-LLVKDONJSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)c2ccccc21	ZINC000193484406	650661718	/nfs/dbraw/zinc/66/17/18/650661718.db2.gz	DQLJGAAMIXYJDG-ZDUSSCGKSA-N	-1	0	297.358	2.508	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1csc2ccccc12	ZINC000193484597	650661790	/nfs/dbraw/zinc/66/17/90/650661790.db2.gz	QFRKWUHEPIWGEK-LLVKDONJSA-N	-1	0	286.356	2.748	20	30		CFEDRM
CC[C@@H](NN=C(C)CCc1cncc2ccccc21)C(=O)[O-]	ZINC000872377315	641780570	/nfs/dbraw/zinc/78/05/70/641780570.db2.gz	YTVGRVMFCLDCHX-MRXNPFEDSA-N	-1	0	299.374	2.996	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667434	650703115	/nfs/dbraw/zinc/70/31/15/650703115.db2.gz	LIFYIMBMESZGBB-UHFFFAOYSA-N	-1	0	297.307	2.729	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)CCCCC(=O)[O-]	ZINC000872752964	641921769	/nfs/dbraw/zinc/92/17/69/641921769.db2.gz	RDFCBCNSGJLFNF-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000872882915	641955993	/nfs/dbraw/zinc/95/59/93/641955993.db2.gz	ZYWRKKUVFZBZAJ-MNOVXSKESA-N	-1	0	275.414	2.668	20	30		CFEDRM
CCCCCCCNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000872882877	641956137	/nfs/dbraw/zinc/95/61/37/641956137.db2.gz	ZPZDGAYYFTWVSD-AWEZNQCLSA-N	-1	0	257.374	2.964	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C(C)(C)SCC(=O)[O-]	ZINC000873002520	641982019	/nfs/dbraw/zinc/98/20/19/641982019.db2.gz	FLUSVVZQEDMMHN-UHFFFAOYSA-N	-1	0	287.425	2.691	20	30		CFEDRM
N#Cc1c(N[C@H]2C[C@@H](C(=O)[O-])C2)cccc1C(F)F	ZINC000873065959	642001844	/nfs/dbraw/zinc/00/18/44/642001844.db2.gz	NKSNKLFJUYDKCO-OCAPTIKFSA-N	-1	0	266.247	2.771	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cc(F)ccc1Cl	ZINC000124478467	642122353	/nfs/dbraw/zinc/12/23/53/642122353.db2.gz	UNVVTYKWKWEAQB-UHFFFAOYSA-N	-1	0	257.692	2.552	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000874419598	642381657	/nfs/dbraw/zinc/38/16/57/642381657.db2.gz	BUDWEZYNLOOHDB-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
COc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)cc1C#N	ZINC000874969191	642566771	/nfs/dbraw/zinc/56/67/71/642566771.db2.gz	JFYIQSHTMMGIDE-UHFFFAOYSA-N	-1	0	281.267	2.745	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791519	650768019	/nfs/dbraw/zinc/76/80/19/650768019.db2.gz	UQXKHJXMWLIBBD-SCZZXKLOSA-N	-1	0	287.768	2.782	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000245696503	650829847	/nfs/dbraw/zinc/82/98/47/650829847.db2.gz	VRRXDOPCWPWSTM-MELADBBJSA-N	-1	0	279.380	2.692	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000089490548	650844603	/nfs/dbraw/zinc/84/46/03/650844603.db2.gz	BYMWUUBKPMBNDT-UHFFFAOYSA-N	-1	0	287.385	2.690	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1	ZINC000091135497	650892673	/nfs/dbraw/zinc/89/26/73/650892673.db2.gz	WMVKPDONFVCTSM-UHFFFAOYSA-N	-1	0	285.365	2.919	20	30		CFEDRM
C=CCCC[C@@H](C(=O)[N-]OCCOC)c1ccccc1	ZINC000879088418	644138735	/nfs/dbraw/zinc/13/87/35/644138735.db2.gz	UYEMHYQKZSWVAG-OAHLLOKOSA-N	-1	0	277.364	2.821	20	30		CFEDRM
C=CCCC[C@@H](C(=O)[N-]OCC(C)(C)O)c1ccccc1	ZINC000879793298	644426571	/nfs/dbraw/zinc/42/65/71/644426571.db2.gz	KWGQQCVCYBCTCE-OAHLLOKOSA-N	-1	0	291.391	2.945	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1	ZINC000092462085	650920452	/nfs/dbraw/zinc/92/04/52/650920452.db2.gz	VOWBQIWERCUVLR-UHFFFAOYSA-N	-1	0	288.130	2.706	20	30		CFEDRM
CCCC(=CC(=O)[N-]S(=O)(=O)c1cnn(C)c1)CCC	ZINC000092694007	650923484	/nfs/dbraw/zinc/92/34/84/650923484.db2.gz	FQNUPVAMGJYCPU-UHFFFAOYSA-N	-1	0	299.396	2.592	20	30		CFEDRM
CCCC(=CC(=O)[N-]S(=O)(=O)CCOCC)CCC	ZINC000092700347	650923747	/nfs/dbraw/zinc/92/37/47/650923747.db2.gz	GYMBDKLFGVZHRF-UHFFFAOYSA-N	-1	0	291.413	2.836	20	30		CFEDRM
C#Cc1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000130433965	645496978	/nfs/dbraw/zinc/49/69/78/645496978.db2.gz	BGVMIJMZMOTULT-UHFFFAOYSA-N	-1	0	268.272	2.894	20	30		CFEDRM
CC(C)C[C@H](Nc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000133555538	646144166	/nfs/dbraw/zinc/14/41/66/646144166.db2.gz	LPFBYVCKHDCGAQ-NSHDSACASA-N	-1	0	268.263	2.748	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC(=O)[O-])C1CC1	ZINC000135247207	646497323	/nfs/dbraw/zinc/49/73/23/646497323.db2.gz	XDXKNHGELRTSQD-LBPRGKRZSA-N	-1	0	255.358	2.716	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccccc2)ccc1O	ZINC000138822709	647125298	/nfs/dbraw/zinc/12/52/98/647125298.db2.gz	VWHAAVRVLHCATE-SOFGYWHQSA-N	-1	0	268.268	2.987	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)nc1	ZINC000887295173	647262576	/nfs/dbraw/zinc/26/25/76/647262576.db2.gz	ZGBQOLVRZYYEQG-GFCCVEGCSA-N	-1	0	268.320	2.626	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887311171	647266167	/nfs/dbraw/zinc/26/61/67/647266167.db2.gz	ZLHIABCRSJMOCC-RQJABVFESA-N	-1	0	291.391	2.618	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000109626234	647820471	/nfs/dbraw/zinc/82/04/71/647820471.db2.gz	MLUATTYLZXIXMC-STQMWFEESA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926566463	648535238	/nfs/dbraw/zinc/53/52/38/648535238.db2.gz	BCROLXQDDQHJAD-UWVGGRQHSA-N	-1	0	277.748	2.743	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926567292	648536254	/nfs/dbraw/zinc/53/62/54/648536254.db2.gz	PFURSMBYDKWIAZ-WDEREUQCSA-N	-1	0	257.330	2.567	20	30		CFEDRM
Oc1cccc(C=Nn2c(=S)[n-]nc2-c2ccco2)c1	ZINC000254339519	651086218	/nfs/dbraw/zinc/08/62/18/651086218.db2.gz	DCISKFJYJIPDDA-UHFFFAOYSA-N	-1	0	286.316	2.788	20	30		CFEDRM
COc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1O	ZINC000254410648	651088295	/nfs/dbraw/zinc/08/82/95/651088295.db2.gz	XDVHFEHZXISHQZ-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240839	776763152	/nfs/dbraw/zinc/76/31/52/776763152.db2.gz	YRBZOYUSCRKIOX-CMPLNLGQSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C=C1CCC(CNC(=O)NCCCCCC(=O)[O-])CC1	ZINC000724462375	769862814	/nfs/dbraw/zinc/86/28/14/769862814.db2.gz	WBBPQLGCUHVBJT-UHFFFAOYSA-N	-1	0	282.384	2.677	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cc(F)c([O-])cc2F)nc1	ZINC001206767973	769872612	/nfs/dbraw/zinc/87/26/12/769872612.db2.gz	MVABAKJAXKMXHQ-UHFFFAOYSA-N	-1	0	290.269	2.648	20	30		CFEDRM
[O-]/N=C/c1cc(NCc2cccnn2)cc(C(F)(F)F)c1	ZINC001167330864	770305216	/nfs/dbraw/zinc/30/52/16/770305216.db2.gz	ZRSONMYWBFQRKR-FBCYGCLPSA-N	-1	0	296.252	2.916	20	30		CFEDRM
CN(C)c1nc(Nc2cc(Cl)cc(C#N)c2)cc(=O)[nH]1	ZINC001210536807	770307641	/nfs/dbraw/zinc/30/76/41/770307641.db2.gz	PMJZQEXVWDNENB-UHFFFAOYSA-N	-1	0	289.726	2.517	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000382349145	770397675	/nfs/dbraw/zinc/39/76/75/770397675.db2.gz	IZVGNFYIKSLPAZ-VIFPVBQESA-N	-1	0	283.290	2.869	20	30		CFEDRM
Cc1cnc(C#N)c(Nc2ccccc2C(=O)[O-])c1	ZINC001210966102	770405908	/nfs/dbraw/zinc/40/59/08/770405908.db2.gz	HOMHJJWKSSLTHM-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
Cc1c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cnn1C	ZINC000588397025	770507672	/nfs/dbraw/zinc/50/76/72/770507672.db2.gz	JDGNGUUCXIFIEI-ARJAWSKDSA-N	-1	0	278.258	2.608	20	30		CFEDRM
Cc1cc(Nc2ncccc2C#N)cc(C(=O)[O-])c1	ZINC001211535130	770827555	/nfs/dbraw/zinc/82/75/55/770827555.db2.gz	PDUFYPNKBSKCQR-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000724456199	770887898	/nfs/dbraw/zinc/88/78/98/770887898.db2.gz	KAZUUWCSIXEAHJ-KGLIPLIRSA-N	-1	0	279.380	2.740	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(F)nc2)c([O-])c1	ZINC000588524156	770929906	/nfs/dbraw/zinc/92/99/06/770929906.db2.gz	ZRELTZPEPNALRJ-KXFIGUGUSA-N	-1	0	273.263	2.831	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc(O)cc1[O-]	ZINC000588524118	770930407	/nfs/dbraw/zinc/93/04/07/770930407.db2.gz	VTUTUNATFSXVRD-KTAJNNJTSA-N	-1	0	259.236	2.528	20	30		CFEDRM
C=CCCCCCCNC(=O)CC1(C(=O)[O-])CCC1	ZINC000382206451	773208710	/nfs/dbraw/zinc/20/87/10/773208710.db2.gz	NNJDWIAGGLDNCE-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C#Cc1cccnc1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216676949	773209825	/nfs/dbraw/zinc/20/98/25/773209825.db2.gz	OXLAXKMDDISMAY-UHFFFAOYSA-N	-1	0	270.263	2.573	20	30		CFEDRM
Cc1ccc(Nc2c(N)cccc2C#N)cc1C(=O)[O-]	ZINC001211608290	775210082	/nfs/dbraw/zinc/21/00/82/775210082.db2.gz	QJTQXEMVAWLBNY-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C(/C)c1ccccc1Cl	ZINC000588592775	775243864	/nfs/dbraw/zinc/24/38/64/775243864.db2.gz	PFXMRYFIFFARPN-LUAWRHEFSA-N	-1	0	293.750	2.843	20	30		CFEDRM
C[Si](C)(C)C#C[C@@H](OCC(=O)[O-])c1ccccc1	ZINC001225022166	775338066	/nfs/dbraw/zinc/33/80/66/775338066.db2.gz	MLNPPXLNFSAEMB-CYBMUJFWSA-N	-1	0	262.381	2.710	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)OCCCC[P@@](=O)([O-])O	ZINC001225019207	775338476	/nfs/dbraw/zinc/33/84/76/775338476.db2.gz	UPYNSZFWGDGMJH-GFCCVEGCSA-N	-1	0	274.297	2.565	20	30		CFEDRM
C#C[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1	ZINC001225514896	775488010	/nfs/dbraw/zinc/48/80/10/775488010.db2.gz	PZQGHQXCDKNCNA-HNNXBMFYSA-N	-1	0	288.324	2.687	20	30		CFEDRM
C=CC[C@@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001225517233	775489048	/nfs/dbraw/zinc/48/90/48/775489048.db2.gz	HPQWMKNUQIIGHP-CYBMUJFWSA-N	-1	0	270.350	2.913	20	30		CFEDRM
CC#CC[C@H](CC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518321	775489419	/nfs/dbraw/zinc/48/94/19/775489419.db2.gz	WSPOQTYMERCXJN-NSHDSACASA-N	-1	0	268.334	2.504	20	30		CFEDRM
C=C[C@@H]1O[C@H](Oc2ccc([S-])cc2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001225557929	775499329	/nfs/dbraw/zinc/49/93/29/775499329.db2.gz	LEAWSBLCMXATRS-XUXIUFHCSA-N	-1	0	294.372	2.785	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225561081	775500065	/nfs/dbraw/zinc/50/00/65/775500065.db2.gz	XNPKHLLFPAKXDS-SECBINFHSA-N	-1	0	254.717	2.797	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-]	ZINC001225664291	775547329	/nfs/dbraw/zinc/54/73/29/775547329.db2.gz	MKQAVCWVJORMGJ-SECBINFHSA-N	-1	0	252.270	2.819	20	30		CFEDRM
C#C[C@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1	ZINC001225980672	775656185	/nfs/dbraw/zinc/65/61/85/775656185.db2.gz	OGOOMAKGUNBOKG-JTQLQIEISA-N	-1	0	294.232	2.954	20	30		CFEDRM
C#C[C@@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1	ZINC001225980677	775656964	/nfs/dbraw/zinc/65/69/64/775656964.db2.gz	OGOOMAKGUNBOKG-SNVBAGLBSA-N	-1	0	294.232	2.954	20	30		CFEDRM
CCCC(=O)[C@@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008772	775665815	/nfs/dbraw/zinc/66/58/15/775665815.db2.gz	MIXFDYGWMGAEHF-GFCCVEGCSA-N	-1	0	280.299	2.715	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCC(=O)c2ccccc21	ZINC001226008464	775665847	/nfs/dbraw/zinc/66/58/47/775665847.db2.gz	HLIQRRDONHAJJC-AWEZNQCLSA-N	-1	0	298.273	2.895	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009567	775666482	/nfs/dbraw/zinc/66/64/82/775666482.db2.gz	YEMOKQPNNUXGJY-SNVBAGLBSA-N	-1	0	250.273	2.922	20	30		CFEDRM
COc1ccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cc1	ZINC001226008011	775666510	/nfs/dbraw/zinc/66/65/10/775666510.db2.gz	CPJMUVXEXGXQFS-VIFPVBQESA-N	-1	0	288.278	2.947	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(C)C	ZINC001226066391	775686791	/nfs/dbraw/zinc/68/67/91/775686791.db2.gz	ASBMUGUDZZIREI-JTQLQIEISA-N	-1	0	284.237	2.714	20	30		CFEDRM
Cc1nn(C)cc1[C@H](C)Oc1cccc(/C=N/O)c1	ZINC001226110408	775701787	/nfs/dbraw/zinc/70/17/87/775701787.db2.gz	RPADZIHTTIENPR-UXYFDLPDSA-N	-1	0	259.309	2.677	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)COc2ccccc2)c1C#N	ZINC001226221428	775740519	/nfs/dbraw/zinc/74/05/19/775740519.db2.gz	LCJPVGUEAFZHGX-LBPRGKRZSA-N	-1	0	284.315	2.814	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccnc2F)c1C#N	ZINC001226222640	775741227	/nfs/dbraw/zinc/74/12/27/775741227.db2.gz	FUKFEEIBUQJEKD-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCCC[C@H]2F)c1C#N	ZINC001226223355	775743229	/nfs/dbraw/zinc/74/32/29/775743229.db2.gz	OUDSKUHRHAPETC-GHMZBOCLSA-N	-1	0	250.273	2.627	20	30		CFEDRM
C#C[C@@H](Oc1[nH]c(=O)ncc1C(C)=O)[C@H](CC)CCCC	ZINC001226237807	775746876	/nfs/dbraw/zinc/74/68/76/775746876.db2.gz	NMDQKJXRECQZFI-TZMCWYRMSA-N	-1	0	290.363	2.982	20	30		CFEDRM
C#C[C@H](Oc1[nH]c(=O)ncc1C(C)=O)[C@H](CC)CCCC	ZINC001226237806	775747694	/nfs/dbraw/zinc/74/76/94/775747694.db2.gz	NMDQKJXRECQZFI-OCCSQVGLSA-N	-1	0	290.363	2.982	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1	ZINC001226330838	775780521	/nfs/dbraw/zinc/78/05/21/775780521.db2.gz	DFLJNDBFFPQYLW-ZYHUDNBSSA-N	-1	0	291.307	2.770	20	30		CFEDRM
Cc1nc(O[C@H](C)c2ccccc2C#N)c(F)c(=O)[n-]1	ZINC001226423443	775817240	/nfs/dbraw/zinc/81/72/40/775817240.db2.gz	IBHKQANBNMYLTQ-MRVPVSSYSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C#C[C@@H](Oc1cc2c(C)cc(=O)oc2cc1O)C(C)C	ZINC001226531670	775862735	/nfs/dbraw/zinc/86/27/35/775862735.db2.gz	DJVGYFONZXYHGX-CYBMUJFWSA-N	-1	0	272.300	2.844	20	30		CFEDRM
CCCCCCC[C@H](CCC)Oc1c([O-])c(=O)c1=O	ZINC001226607893	775890769	/nfs/dbraw/zinc/89/07/69/775890769.db2.gz	UNBXFCDQBZAIJK-NSHDSACASA-N	-1	0	268.353	2.896	20	30		CFEDRM
C=C[C@@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226782146	775962356	/nfs/dbraw/zinc/96/23/56/775962356.db2.gz	PMVGKZSZCIPBBL-SNVBAGLBSA-N	-1	0	284.344	2.948	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071073	776083205	/nfs/dbraw/zinc/08/32/05/776083205.db2.gz	VKSCQNAOXSWCKD-VWYCJHECSA-N	-1	0	288.351	2.818	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1	ZINC001227070322	776083668	/nfs/dbraw/zinc/08/36/68/776083668.db2.gz	NOMBWUFMDPTLQC-NSHDSACASA-N	-1	0	282.303	2.755	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cc(OC)c(OC)cc21	ZINC001227280171	776168979	/nfs/dbraw/zinc/16/89/79/776168979.db2.gz	CVZAEWKVVVUGIG-VIFPVBQESA-N	-1	0	290.319	2.696	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348549	776181653	/nfs/dbraw/zinc/18/16/53/776181653.db2.gz	ZFIKZQAVJGJIKP-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=S)nnc1C	ZINC001227601077	776239275	/nfs/dbraw/zinc/23/92/75/776239275.db2.gz	GFAOXKHVQCLTLS-ZDUSSCGKSA-N	-1	0	285.372	2.678	20	30		CFEDRM
N#CC1CCC(Oc2n[n-]c(=O)c(Cl)c2Cl)CC1	ZINC001227602518	776239664	/nfs/dbraw/zinc/23/96/64/776239664.db2.gz	VTKOTZOGYRYVAA-UHFFFAOYSA-N	-1	0	288.134	2.950	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227606760	776241260	/nfs/dbraw/zinc/24/12/60/776241260.db2.gz	GEPKFRQXUHJYAR-VIFPVBQESA-N	-1	0	277.349	2.753	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611903	776242297	/nfs/dbraw/zinc/24/22/97/776242297.db2.gz	UAHITQILLRMQCR-VIFPVBQESA-N	-1	0	289.360	2.775	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ncsc21	ZINC001227612340	776242410	/nfs/dbraw/zinc/24/24/10/776242410.db2.gz	YAVMLWATCLFTGC-LURJTMIESA-N	-1	0	285.394	2.658	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715731	776268145	/nfs/dbraw/zinc/26/81/45/776268145.db2.gz	FSFWZTGOVDVVDC-YUMQZZPRSA-N	-1	0	284.381	2.639	20	30		CFEDRM
C=CC[C@H](Oc1nc(=O)[n-]c2c1CO[C@H]2C)C(C)C	ZINC001227715750	776268617	/nfs/dbraw/zinc/26/86/17/776268617.db2.gz	FWWPBAOJYZTSAD-ONGXEEELSA-N	-1	0	264.325	2.753	20	30		CFEDRM
CCCCCCC[C@@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310275	776454515	/nfs/dbraw/zinc/45/45/15/776454515.db2.gz	DQMBWEROVREHBJ-SNVBAGLBSA-N	-1	0	269.345	2.719	20	30		CFEDRM
Cc1cncc(-c2noc(CCC(=O)C3=CC=C[CH]3)n2)c1	ZINC001204656527	776472593	/nfs/dbraw/zinc/47/25/93/776472593.db2.gz	NRIKBANPYJPKCV-UHFFFAOYSA-N	-1	0	280.307	2.642	20	30		CFEDRM
CN(CC#N)Cc1cc(Cl)cc(Br)c1[O-]	ZINC001141373249	776480542	/nfs/dbraw/zinc/48/05/42/776480542.db2.gz	UPUNDUFERYQMKC-UHFFFAOYSA-N	-1	0	289.560	2.763	20	30		CFEDRM
C=C[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228862139	776638297	/nfs/dbraw/zinc/63/82/97/776638297.db2.gz	LAXQUIFMYFCFAO-RXMQYKEDSA-N	-1	0	278.186	2.668	20	30		CFEDRM
CC(C)[C@H](Oc1[n-]c(=O)ccc1C#N)C(F)(F)F	ZINC001228899563	776650391	/nfs/dbraw/zinc/65/03/91/776650391.db2.gz	ZCNGBHMKYLBWKE-VIFPVBQESA-N	-1	0	260.215	2.625	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1C#N	ZINC001228900695	776651216	/nfs/dbraw/zinc/65/12/16/776651216.db2.gz	HCCVCOQZTHXCGZ-SNVBAGLBSA-N	-1	0	265.272	2.671	20	30		CFEDRM
Cc1ccccc1OC[C@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228903160	776653109	/nfs/dbraw/zinc/65/31/09/776653109.db2.gz	VRKCSFHNGIRBBE-LBPRGKRZSA-N	-1	0	284.315	2.814	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228902771	776653346	/nfs/dbraw/zinc/65/33/46/776653346.db2.gz	UPSZKUOFZGLSAF-OAHLLOKOSA-N	-1	0	278.311	2.868	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)O1	ZINC001228903382	776653372	/nfs/dbraw/zinc/65/33/72/776653372.db2.gz	YGELVZBUDHNXFV-LRDDRELGSA-N	-1	0	288.347	2.940	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973201	776674638	/nfs/dbraw/zinc/67/46/38/776674638.db2.gz	HVTHKSJJKVFVHT-VIFPVBQESA-N	-1	0	295.367	2.654	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229136429	776728388	/nfs/dbraw/zinc/72/83/88/776728388.db2.gz	BPWGZHKZXHPIHI-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@H](Oc1c(O)c(OC)cc2ccc(=O)oc21)C(C)C	ZINC001229214152	776753629	/nfs/dbraw/zinc/75/36/29/776753629.db2.gz	BVZYHWSLKRCZCD-NSHDSACASA-N	-1	0	288.299	2.544	20	30		CFEDRM
CC#C[C@@H](CC)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214193	776753813	/nfs/dbraw/zinc/75/38/13/776753813.db2.gz	CHEZGOCXBLJBJS-LLVKDONJSA-N	-1	0	288.299	2.688	20	30		CFEDRM
C#CC[C@@H](C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229357072	776789516	/nfs/dbraw/zinc/78/95/16/776789516.db2.gz	ZWYSNDXTWORGGM-LLVKDONJSA-N	-1	0	290.340	2.877	20	30		CFEDRM
CC[C@@H](C#CC(=O)OC)Oc1ccc([S-])cc1C	ZINC001229636219	776862306	/nfs/dbraw/zinc/86/23/06/776862306.db2.gz	BHJQKGQKLJSBDR-NSHDSACASA-N	-1	0	264.346	2.618	20	30		CFEDRM
C=C[C@H](CC)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229791192	776892606	/nfs/dbraw/zinc/89/26/06/776892606.db2.gz	GWIHUNQVJOOVMJ-MRVPVSSYSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=CC[C@H](Oc1nc(Cl)nc(=O)[n-]1)c1ccccc1	ZINC001230240025	776963293	/nfs/dbraw/zinc/96/32/93/776963293.db2.gz	GBCQWYCPTRVODE-JTQLQIEISA-N	-1	0	277.711	2.927	20	30		CFEDRM
C[C@H](CS)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662631	777037422	/nfs/dbraw/zinc/03/74/22/777037422.db2.gz	FOFRDWRITFZLBX-SSDOTTSWSA-N	-1	0	276.317	2.779	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230853382	777076430	/nfs/dbraw/zinc/07/64/30/777076430.db2.gz	JFAGYPVRVLHFBM-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885648	777080487	/nfs/dbraw/zinc/08/04/87/777080487.db2.gz	MFKOSRKWDWNAJK-ZETCQYMHSA-N	-1	0	250.685	2.942	20	30		CFEDRM
O=C1C=C[C@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1	ZINC001231050533	777124659	/nfs/dbraw/zinc/12/46/59/777124659.db2.gz	UGYYONLJHSGBLU-LURJTMIESA-N	-1	0	284.102	2.541	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231072447	777131373	/nfs/dbraw/zinc/13/13/73/777131373.db2.gz	VSBYGGCQUZVWIZ-QMMMGPOBSA-N	-1	0	299.714	2.705	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)[C@H](C)S	ZINC001231074726	777133600	/nfs/dbraw/zinc/13/36/00/777133600.db2.gz	RWGVLOBLICCFSU-RQJHMYQMSA-N	-1	0	268.313	2.560	20	30		CFEDRM
O=C(c1ccccc1[O-])c1ccccc1O[C@H]1C=CC(=O)C1	ZINC001231210076	777171182	/nfs/dbraw/zinc/17/11/82/777171182.db2.gz	IATBABVHUGHWGH-ZDUSSCGKSA-N	-1	0	294.306	2.900	20	30		CFEDRM
C#CC(C#C)Oc1ccccc1C(=O)c1ccccc1[O-]	ZINC001231220710	777172832	/nfs/dbraw/zinc/17/28/32/777172832.db2.gz	YHIKZUGIXCMZHS-UHFFFAOYSA-N	-1	0	276.291	2.637	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231226667	777175368	/nfs/dbraw/zinc/17/53/68/777175368.db2.gz	FFGWJKDUPUASNN-MRVPVSSYSA-N	-1	0	280.236	2.718	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231262312	777180132	/nfs/dbraw/zinc/18/01/32/777180132.db2.gz	FFAWNQJFGLEAFW-VIFPVBQESA-N	-1	0	250.254	2.513	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231263528	777180442	/nfs/dbraw/zinc/18/04/42/777180442.db2.gz	KRBVDTOJNKXAGQ-JTQLQIEISA-N	-1	0	264.281	2.575	20	30		CFEDRM
O=c1[n-]c(O[C@H](C#Cc2ccccc2)c2ccccc2)n[nH]1	ZINC001231308564	777188554	/nfs/dbraw/zinc/18/85/54/777188554.db2.gz	UOBCBVUHAAVUDX-OAHLLOKOSA-N	-1	0	291.310	2.682	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231350688	777199049	/nfs/dbraw/zinc/19/90/49/777199049.db2.gz	WNWJGOOFMLWLGT-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)o1	ZINC000126648051	777425722	/nfs/dbraw/zinc/42/57/22/777425722.db2.gz	VJIPFPFYSYHNBX-HNNXBMFYSA-N	-1	0	296.326	2.535	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](CC#N)c2ccccc2)n1	ZINC001226159587	777462049	/nfs/dbraw/zinc/46/20/49/777462049.db2.gz	QZOBCXBXPUJAHR-LBPRGKRZSA-N	-1	0	255.277	2.524	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCC[C@H]2C(F)(F)F)c1	ZINC001232673179	777637079	/nfs/dbraw/zinc/63/70/79/777637079.db2.gz	BOTJMWURGAXWDD-LBPRGKRZSA-N	-1	0	270.254	2.791	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1n[n-]c(=O)cc1Cl	ZINC001233587679	777999255	/nfs/dbraw/zinc/99/92/55/777999255.db2.gz	WXSWRDJXEVDYAS-SECBINFHSA-N	-1	0	254.717	2.797	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043967	778150361	/nfs/dbraw/zinc/15/03/61/778150361.db2.gz	HEVVDHKPBYQLJZ-MFKMUULPSA-N	-1	0	284.315	2.530	20	30		CFEDRM
C[C@@H](Oc1[nH]c(=O)nc2cccc(C#N)c21)C1=CC=C[CH]1	ZINC001234513464	778241115	/nfs/dbraw/zinc/24/11/15/778241115.db2.gz	LLCVEGUJWDXNDO-SNVBAGLBSA-N	-1	0	278.291	2.675	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@H]3C=CCCC3)c2c1	ZINC001234530127	778244982	/nfs/dbraw/zinc/24/49/82/778244982.db2.gz	IAEZQGCFWXGYPK-NSHDSACASA-N	-1	0	267.288	2.695	20	30		CFEDRM
CCC[C@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234531307	778246211	/nfs/dbraw/zinc/24/62/11/778246211.db2.gz	XTKHTWQECABSAV-VIFPVBQESA-N	-1	0	257.293	2.774	20	30		CFEDRM
C=C[C@@H](CC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234571349	778255169	/nfs/dbraw/zinc/25/51/69/778255169.db2.gz	FHNCJFFRYXQXKS-ZETCQYMHSA-N	-1	0	273.130	2.597	20	30		CFEDRM
O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1ccccc1C=N[O-])C2	ZINC001234823339	778303434	/nfs/dbraw/zinc/30/34/34/778303434.db2.gz	STVYTLOCKAGQDT-HNNXBMFYSA-N	-1	0	298.298	2.949	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1F	ZINC001235079597	778373039	/nfs/dbraw/zinc/37/30/39/778373039.db2.gz	ZFKSCOQRLRHNAG-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccn1	ZINC001235268521	778440323	/nfs/dbraw/zinc/44/03/23/778440323.db2.gz	GRLMAZYANATDTQ-ZZXKWVIFSA-N	-1	0	250.257	2.718	20	30		CFEDRM
CCCCCCCC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000697957855	778575292	/nfs/dbraw/zinc/57/52/92/778575292.db2.gz	ODLSHSJGEUCCLN-ZDUSSCGKSA-N	-1	0	269.385	2.964	20	30		CFEDRM
N#Cc1cc(-c2c(F)cc(F)c([O-])c2F)cnc1F	ZINC001235997626	778647842	/nfs/dbraw/zinc/64/78/42/778647842.db2.gz	QXUZTZHWGPLLGG-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001236061545	778674167	/nfs/dbraw/zinc/67/41/67/778674167.db2.gz	XBXOMGUBZRWRCP-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
C=CCCSCCNc1ccc(C(=O)[O-])c(C)n1	ZINC000696119478	778841104	/nfs/dbraw/zinc/84/11/04/778841104.db2.gz	CYJNNIYKFCPMGT-UHFFFAOYSA-N	-1	0	266.366	2.809	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000078527789	778845402	/nfs/dbraw/zinc/84/54/02/778845402.db2.gz	ADVNOUVFLDBUKB-SNVBAGLBSA-N	-1	0	292.360	2.926	20	30		CFEDRM
Cc1cc(-c2ccc(C#N)cc2F)cnc1C(=O)[O-]	ZINC001236531718	778866176	/nfs/dbraw/zinc/86/61/76/778866176.db2.gz	KVRLNGFKKABDOR-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)c(F)c1	ZINC001236532692	778867567	/nfs/dbraw/zinc/86/75/67/778867567.db2.gz	BEVLSEMGZHZQPP-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2csc(C3CC3)n2)c1	ZINC000176406284	779125549	/nfs/dbraw/zinc/12/55/49/779125549.db2.gz	RDTYHXPSWZQMRD-UHFFFAOYSA-N	-1	0	285.328	2.850	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC001237621545	779145822	/nfs/dbraw/zinc/14/58/22/779145822.db2.gz	CABJALNFORCTCK-MRVPVSSYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237801835	779181223	/nfs/dbraw/zinc/18/12/23/779181223.db2.gz	IWSUWLXHAJVUKN-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(F)cc(Cl)c1[O-]	ZINC001237804699	779183344	/nfs/dbraw/zinc/18/33/44/779183344.db2.gz	DYNOUNHGUQVFCA-JTQLQIEISA-N	-1	0	254.692	2.673	20	30		CFEDRM
N#CC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1	ZINC001237808212	779184274	/nfs/dbraw/zinc/18/42/74/779184274.db2.gz	SBGSHLSXLFQLTF-UHFFFAOYSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239246013	779482941	/nfs/dbraw/zinc/48/29/41/779482941.db2.gz	ZNCKGGYBFSFGLD-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1	ZINC001239243267	779483114	/nfs/dbraw/zinc/48/31/14/779483114.db2.gz	GDBCPLQFTFDAAG-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ncc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1F	ZINC001239345619	779530454	/nfs/dbraw/zinc/53/04/54/779530454.db2.gz	APLSNXXSGXSLAA-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C)nc1	ZINC000764907091	779862584	/nfs/dbraw/zinc/86/25/84/779862584.db2.gz	CMYZBEAHGJKIND-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1	ZINC000130802308	780107362	/nfs/dbraw/zinc/10/73/62/780107362.db2.gz	UOYDYOFWKIWWMF-OAHLLOKOSA-N	-1	0	280.327	2.687	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(C2CCCC2)cs1	ZINC001168626876	780120313	/nfs/dbraw/zinc/12/03/13/780120313.db2.gz	HNQNDMUGBVHUJZ-UHFFFAOYSA-N	-1	0	280.393	2.967	20	30		CFEDRM
N#Cc1cc(Br)ccc1N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693367906	780165969	/nfs/dbraw/zinc/16/59/69/780165969.db2.gz	GPWGGGQLHNTQMH-WKFQBHICSA-N	-1	0	295.136	2.596	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3cccc(C=CC(=O)[O-])c3)c12	ZINC001240547663	780241142	/nfs/dbraw/zinc/24/11/42/780241142.db2.gz	BCQBGSDLDPGEHQ-SNAWJCMRSA-N	-1	0	290.282	2.594	20	30		CFEDRM
N#CCOc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1	ZINC001240548464	780242584	/nfs/dbraw/zinc/24/25/84/780242584.db2.gz	OACBVHIYLYXMJO-QPJJXVBHSA-N	-1	0	280.283	2.749	20	30		CFEDRM
Nc1nonc1C(=N[O-])Nc1ccc(C2CCCC2)cc1	ZINC001212456871	780367143	/nfs/dbraw/zinc/36/71/43/780367143.db2.gz	ZCUOALOQRZTCNG-UHFFFAOYSA-N	-1	0	287.323	2.557	20	30		CFEDRM
COc1cc(-c2nc(C)cc(C)c2C#N)ccc1C(=O)[O-]	ZINC001240739720	780406177	/nfs/dbraw/zinc/40/61/77/780406177.db2.gz	CFEJWPYBFGXFIM-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1cc(-c2nc(C)c(C)cc2C#N)ccc1C(=O)[O-]	ZINC001240742105	780407428	/nfs/dbraw/zinc/40/74/28/780407428.db2.gz	XOEJCHJMNPDBLX-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1cc(-c2ccc(CC#N)c(C#N)c2)ccc1C(=O)[O-]	ZINC001240743195	780408876	/nfs/dbraw/zinc/40/88/76/780408876.db2.gz	HXUPYQYIZWTDSH-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1cc(-c2ccc3ncc(C#N)n3c2)ccc1C(=O)[O-]	ZINC001240744588	780409871	/nfs/dbraw/zinc/40/98/71/780409871.db2.gz	HJPXVNVYDGXJHF-UHFFFAOYSA-N	-1	0	293.282	2.580	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(CC(=O)[O-])cc1)CCC2	ZINC001240973245	780561457	/nfs/dbraw/zinc/56/14/57/780561457.db2.gz	QCECCRZNQBJZDK-UHFFFAOYSA-N	-1	0	278.311	2.736	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C#N)nc(C2CC2)n1	ZINC001241000803	780584824	/nfs/dbraw/zinc/58/48/24/780584824.db2.gz	KBMBGVNRPUIIAX-UHFFFAOYSA-N	-1	0	279.299	2.899	20	30		CFEDRM
Cc1ccc(-c2ncc3c(C#N)c[nH]c3n2)c([O-])c1	ZINC001241036121	780607253	/nfs/dbraw/zinc/60/72/53/780607253.db2.gz	OGBVNINKHDXUHV-UHFFFAOYSA-N	-1	0	250.261	2.511	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1c(F)cc([O-])cc1F	ZINC001241122504	780652192	/nfs/dbraw/zinc/65/21/92/780652192.db2.gz	QIIOHRPHFRJQCJ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241184238	780688715	/nfs/dbraw/zinc/68/87/15/780688715.db2.gz	XUTHMZQNLUTGQU-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241187024	780691232	/nfs/dbraw/zinc/69/12/32/780691232.db2.gz	IDZNAUYSDCWQEP-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241245875	780729719	/nfs/dbraw/zinc/72/97/19/780729719.db2.gz	HYXQMWQWHFDJLK-UHFFFAOYSA-N	-1	0	255.248	2.957	20	30		CFEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2)ccc1CC#N	ZINC001241358207	780807639	/nfs/dbraw/zinc/80/76/39/780807639.db2.gz	SZSYJAJDFLTPSO-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(F)cc(-c2cncc(C(=O)[O-])c2)c1C#N	ZINC001241801245	781132456	/nfs/dbraw/zinc/13/24/56/781132456.db2.gz	FUMMSIRAYRXDKW-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1cc(F)cc(-c2cncc(C(=O)[O-])c2)c1	ZINC001241802220	781133428	/nfs/dbraw/zinc/13/34/28/781133428.db2.gz	MPYXDXZZGALXPY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1cccc(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241817257	781141606	/nfs/dbraw/zinc/14/16/06/781141606.db2.gz	SLBZANNBPCBBKM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1CC#N	ZINC001241821786	781144949	/nfs/dbraw/zinc/14/49/49/781144949.db2.gz	YZDRYDBGEPFCGL-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1ccc(-c2nccc(C)c2C#N)cc1C(=O)[O-]	ZINC001241856222	781155519	/nfs/dbraw/zinc/15/55/19/781155519.db2.gz	PQBKXTCTLWLLNC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1ccc(-c2ccc([O-])c(C(F)(F)F)c2)nn1	ZINC001242147925	781301044	/nfs/dbraw/zinc/30/10/44/781301044.db2.gz	JKKJEOJKJIVTRP-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1nccc(F)c1C#N	ZINC001242205820	781325748	/nfs/dbraw/zinc/32/57/48/781325748.db2.gz	UOYVLBNRZQJWQP-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COc1cc(-c2cc(C(=O)[O-])cc(F)c2C)ncc1C#N	ZINC001242205423	781326157	/nfs/dbraw/zinc/32/61/57/781326157.db2.gz	ZSJUAPAPYSFXQO-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc2c(s1)CCCCC2	ZINC000710328261	781332079	/nfs/dbraw/zinc/33/20/79/781332079.db2.gz	RVKGBALENRPLMB-UHFFFAOYSA-N	-1	0	298.433	2.567	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(F)cc3[O-])ccc2[nH]1	ZINC001242218341	781333637	/nfs/dbraw/zinc/33/36/37/781333637.db2.gz	TVQKLKWVILLKKA-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
Cc1cc(C2=CC(=O)CC(C)(C)C2)cnc1C(=O)[O-]	ZINC001242317640	781395201	/nfs/dbraw/zinc/39/52/01/781395201.db2.gz	UNVCFXWXNCHULS-UHFFFAOYSA-N	-1	0	259.305	2.861	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])nc2)c2sccc21	ZINC001242335622	781406563	/nfs/dbraw/zinc/40/65/63/781406563.db2.gz	JPYSJBQRROKNQU-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
N#Cc1ccc(OC(F)F)cc1-c1ccc(C(=O)[O-])nc1	ZINC001242336753	781408469	/nfs/dbraw/zinc/40/84/69/781408469.db2.gz	GWAYHPPRDZVMCO-UHFFFAOYSA-N	-1	0	290.225	2.920	20	30		CFEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])nc2)ccc1F	ZINC001242337996	781409796	/nfs/dbraw/zinc/40/97/96/781409796.db2.gz	UTPIIXNESZAXEE-CAOOACKPSA-N	-1	0	274.251	2.566	20	30		CFEDRM
N#Cc1nc(-c2cccc(Cl)c2[O-])cc2nc[nH]c21	ZINC001242362654	781435876	/nfs/dbraw/zinc/43/58/76/781435876.db2.gz	LHDBJZUWLASIEK-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
COc1ccc(C#N)c(-c2cccc(Cl)c2[O-])n1	ZINC001242367517	781438964	/nfs/dbraw/zinc/43/89/64/781438964.db2.gz	OAOPPHHDOBWYQC-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cccc(C(=O)[O-])c3F)cn12	ZINC001242380165	781449230	/nfs/dbraw/zinc/44/92/30/781449230.db2.gz	ZJUKQUJXWVINNY-UHFFFAOYSA-N	-1	0	281.246	2.710	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc2c(cc1C#N)CCC2	ZINC001242389660	781457914	/nfs/dbraw/zinc/45/79/14/781457914.db2.gz	SXSQFPBAIWLCIZ-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)c(C)n1	ZINC001242389739	781458944	/nfs/dbraw/zinc/45/89/44/781458944.db2.gz	IHDNQSPJSPELPS-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
CSc1cc(C)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562703	781601340	/nfs/dbraw/zinc/60/13/40/781601340.db2.gz	ILXCVCGMUWVDLG-UHFFFAOYSA-N	-1	0	257.318	2.751	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562934	781601507	/nfs/dbraw/zinc/60/15/07/781601507.db2.gz	OTNBQEIGDNMLKL-UHFFFAOYSA-N	-1	0	282.328	2.623	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc([O-])c3Cl)ncc12	ZINC001242801507	781767701	/nfs/dbraw/zinc/76/77/01/781767701.db2.gz	UOSPIGZAZBXRAZ-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
N#CCc1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC001242877863	781815970	/nfs/dbraw/zinc/81/59/70/781815970.db2.gz	GYHHBWVWQQORCH-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccccc2C(=O)[O-])n1	ZINC001242877195	781816626	/nfs/dbraw/zinc/81/66/26/781816626.db2.gz	WGSZSTFMPQEUSI-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C)c(C)cc1C#N	ZINC001242920077	781841818	/nfs/dbraw/zinc/84/18/18/781841818.db2.gz	IGQULKAWEVOMRH-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccccc1OCC#N	ZINC001242923271	781844822	/nfs/dbraw/zinc/84/48/22/781844822.db2.gz	FNQIIJOAIMYJMM-UHFFFAOYSA-N	-1	0	283.283	2.963	20	30		CFEDRM
C[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000594545360	349445015	/nfs/dbraw/zinc/44/50/15/349445015.db2.gz	MKKJWNGAWGNJQI-ZETCQYMHSA-N	-1	0	272.226	2.710	20	30		CFEDRM
C=CCCSCCNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000594662324	349470962	/nfs/dbraw/zinc/47/09/62/349470962.db2.gz	WUYCQQRETGFOAV-UHFFFAOYSA-N	-1	0	299.436	2.837	20	30		CFEDRM
CC(C)CCOc1ccc(=NCc2cccc(C#N)c2)[n-]n1	ZINC000594736291	349484762	/nfs/dbraw/zinc/48/47/62/349484762.db2.gz	OUKFFXAVFCYNHD-UHFFFAOYSA-N	-1	0	296.374	2.807	20	30		CFEDRM
CC(C)(C)n1cc(-c2cccc(C#N)c2)c(C(=O)[O-])n1	ZINC000594874020	349491745	/nfs/dbraw/zinc/49/17/45/349491745.db2.gz	IMKQVBCGNGNWBA-UHFFFAOYSA-N	-1	0	269.304	2.875	20	30		CFEDRM
N#CC1(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCCC1	ZINC000595281109	349589865	/nfs/dbraw/zinc/58/98/65/349589865.db2.gz	IXNQOOZBWZQINA-ZDUSSCGKSA-N	-1	0	292.379	2.564	20	30		CFEDRM
N#Cc1ccc(NCCCCC(=O)[O-])cc1Cl	ZINC000070200230	346908070	/nfs/dbraw/zinc/90/80/70/346908070.db2.gz	ZWDYFARJCOZYQM-UHFFFAOYSA-N	-1	0	252.701	2.878	20	30		CFEDRM
C=CCCSCCNc1ncccc1C(=O)[O-]	ZINC000595970379	349772917	/nfs/dbraw/zinc/77/29/17/349772917.db2.gz	WTDCLWZDLXYWSC-UHFFFAOYSA-N	-1	0	252.339	2.501	20	30		CFEDRM
N#Cc1cnc(N2CCC(CCC(=O)[O-])CC2)c(Cl)c1	ZINC000595968938	349773112	/nfs/dbraw/zinc/77/31/12/349773112.db2.gz	ZMDVQFXCQDBDRJ-UHFFFAOYSA-N	-1	0	293.754	2.688	20	30		CFEDRM
N#Cc1nc(N2CCC[C@H](CCC(=O)[O-])C2)ccc1Cl	ZINC000595972934	349773533	/nfs/dbraw/zinc/77/35/33/349773533.db2.gz	BWNFKLYZPVBQOD-SNVBAGLBSA-N	-1	0	293.754	2.688	20	30		CFEDRM
N#Cc1nc(N2CCC[C@@H](CCC(=O)[O-])C2)sc1Cl	ZINC000595977397	349773694	/nfs/dbraw/zinc/77/36/94/349773694.db2.gz	ZIIRTFUEVQJPGA-QMMMGPOBSA-N	-1	0	299.783	2.749	20	30		CFEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2cc(C#N)ccc2n1	ZINC000595973376	349773738	/nfs/dbraw/zinc/77/37/38/349773738.db2.gz	KCDQDVIXJCNEFT-SMDDNHRTSA-N	-1	0	295.342	2.796	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2cc(C#N)ccc2n1	ZINC000595973273	349773800	/nfs/dbraw/zinc/77/38/00/349773800.db2.gz	KCDQDVIXJCNEFT-BXUZGUMPSA-N	-1	0	295.342	2.796	20	30		CFEDRM
CCC(C)(C)OCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000596266342	349847932	/nfs/dbraw/zinc/84/79/32/349847932.db2.gz	ROGDNUINFDYWBN-UHFFFAOYSA-N	-1	0	273.789	2.707	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C(C)C)s1	ZINC000596413235	349894581	/nfs/dbraw/zinc/89/45/81/349894581.db2.gz	GKDSPSRBDMZCIB-UHFFFAOYSA-N	-1	0	257.428	2.805	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C(F)F)s1	ZINC000596413719	349895668	/nfs/dbraw/zinc/89/56/68/349895668.db2.gz	TYZMTSFZOQVNBU-UHFFFAOYSA-N	-1	0	265.354	2.619	20	30		CFEDRM
CC(C)c1n[n-]c(=NCC2(C#N)CCCCC2)s1	ZINC000596498922	349921094	/nfs/dbraw/zinc/92/10/94/349921094.db2.gz	GMWLEHQMOATRCD-UHFFFAOYSA-N	-1	0	264.398	2.969	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)c1n[nH]c(C)c1[O-]	ZINC000669729204	539530111	/nfs/dbraw/zinc/53/01/11/539530111.db2.gz	NUXYDHKICDKQIT-UHFFFAOYSA-N	-1	0	271.320	2.795	20	30		CFEDRM
N#CC(=C([O-])c1ccoc1)c1nc2ccccc2o1	ZINC000041543074	346352406	/nfs/dbraw/zinc/35/24/06/346352406.db2.gz	YHLDZQMJMFYXAJ-SNVBAGLBSA-N	-1	0	252.229	2.911	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000041574556	346353286	/nfs/dbraw/zinc/35/32/86/346353286.db2.gz	ADFYAGVLUXTZJT-NSHDSACASA-N	-1	0	286.360	2.657	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c1	ZINC000076762519	347151782	/nfs/dbraw/zinc/15/17/82/347151782.db2.gz	XOYTXPRVWPXKSQ-BQYQJAHWSA-N	-1	0	293.344	2.501	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097066563	347706066	/nfs/dbraw/zinc/70/60/66/347706066.db2.gz	ONWTWAHEIWKOSY-KCJUWKMLSA-N	-1	0	264.712	2.877	20	30		CFEDRM
CN(C(=O)c1c([O-])cccc1F)c1cccc(C#N)c1	ZINC000120868408	347809349	/nfs/dbraw/zinc/80/93/49/347809349.db2.gz	LVHZMAXPPRIGNX-UHFFFAOYSA-N	-1	0	270.263	2.680	20	30		CFEDRM
N#Cc1cc(F)c(N2CCC[C@H](CCC(=O)[O-])C2)c(F)c1	ZINC000126930192	347838308	/nfs/dbraw/zinc/83/83/08/347838308.db2.gz	KKMNEZYYVMFLEY-SNVBAGLBSA-N	-1	0	294.301	2.918	20	30		CFEDRM
CC[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC	ZINC000290660380	348352863	/nfs/dbraw/zinc/35/28/63/348352863.db2.gz	XOKQEYUBEDKWBI-GCIHHOABSA-N	-1	0	286.715	2.798	20	30		CFEDRM
C[C@@H](CCC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000273418535	192144134	/nfs/dbraw/zinc/14/41/34/192144134.db2.gz	IYBVDRQTRUHQRQ-VIFPVBQESA-N	-1	0	273.340	2.554	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)c1cccc(Br)c1[O-]	ZINC000531560895	348649300	/nfs/dbraw/zinc/64/93/00/348649300.db2.gz	WGRQPIGGWIWVDC-QMMMGPOBSA-N	-1	0	297.152	2.529	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])n1	ZINC000589489003	348835119	/nfs/dbraw/zinc/83/51/19/348835119.db2.gz	XRRPMEOYVQCXHT-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C[C@@H](N=c1[n-]c(C2CCC2)no1)c1cccc(C#N)c1	ZINC000590692271	348929277	/nfs/dbraw/zinc/92/92/77/348929277.db2.gz	JRYLJFSQQIWFRN-SNVBAGLBSA-N	-1	0	268.320	2.804	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)nc3ccccc32)C1	ZINC000591561562	349030021	/nfs/dbraw/zinc/03/00/21/349030021.db2.gz	JTQJWSIHBKSAJI-NWDGAFQWSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)nc3ccccc32)C1	ZINC000591561563	349030032	/nfs/dbraw/zinc/03/00/32/349030032.db2.gz	JTQJWSIHBKSAJI-RYUDHWBXSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CC(C)C[C@H](CNc1cc(C#N)nc2ccccc21)C(=O)[O-]	ZINC000591687117	349038566	/nfs/dbraw/zinc/03/85/66/349038566.db2.gz	UUKLRXDWORTZFY-GFCCVEGCSA-N	-1	0	297.358	2.687	20	30		CFEDRM
CC(C)(CC#N)CNc1ncc(C(=O)[O-])cc1Cl	ZINC000592421730	349118786	/nfs/dbraw/zinc/11/87/86/349118786.db2.gz	VVDQSTNZSGXMAM-UHFFFAOYSA-N	-1	0	267.716	2.785	20	30		CFEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)CCC1CC1	ZINC000273986430	192389952	/nfs/dbraw/zinc/38/99/52/192389952.db2.gz	VYCUMVQJYJJXTH-UHFFFAOYSA-N	-1	0	284.768	2.753	20	30		CFEDRM
CC(C)(C#N)CNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000594341499	349409082	/nfs/dbraw/zinc/40/90/82/349409082.db2.gz	OHLGKQXHSKPEGK-UHFFFAOYSA-N	-1	0	286.253	2.691	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1	ZINC000597994443	350175668	/nfs/dbraw/zinc/17/56/68/350175668.db2.gz	HYQICMLHBKMLNQ-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
C=CCC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1	ZINC000598295458	350228520	/nfs/dbraw/zinc/22/85/20/350228520.db2.gz	GKADXBRUHZLNID-UHFFFAOYSA-N	-1	0	290.319	2.919	20	30		CFEDRM
CC1(c2nc(=NCc3ccc(C#N)cc3F)s[n-]2)CC1	ZINC000601064129	350656627	/nfs/dbraw/zinc/65/66/27/350656627.db2.gz	MUCTVDQQDSOSHL-UHFFFAOYSA-N	-1	0	288.351	2.634	20	30		CFEDRM
CC1(c2nc(=NCc3cc(C#N)cs3)s[n-]2)CC1	ZINC000601063695	350656872	/nfs/dbraw/zinc/65/68/72/350656872.db2.gz	IBNBKIOENUUABY-UHFFFAOYSA-N	-1	0	276.390	2.557	20	30		CFEDRM
Cc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1CCC#N	ZINC000601946667	350814328	/nfs/dbraw/zinc/81/43/28/350814328.db2.gz	OYUWPOVRLDSHEX-SECBINFHSA-N	-1	0	296.252	2.743	20	30		CFEDRM
CCC(CC)Cn1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601958362	350818643	/nfs/dbraw/zinc/81/86/43/350818643.db2.gz	MTKKDEZKAQKXHO-UHFFFAOYSA-N	-1	0	269.348	2.931	20	30		CFEDRM
CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CCC[C@H]1C#N	ZINC000601815380	350783444	/nfs/dbraw/zinc/78/34/44/350783444.db2.gz	FHQPYTMQJSUXPC-OIBJUYFYSA-N	-1	0	298.264	2.574	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCC[C@H]1C#N	ZINC000601816932	350784053	/nfs/dbraw/zinc/78/40/53/350784053.db2.gz	HWIPCODTFPDDSJ-UFBFGSQYSA-N	-1	0	296.729	2.949	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601932928	350805803	/nfs/dbraw/zinc/80/58/03/350805803.db2.gz	VBPBUPRIBRKFCF-MFKMUULPSA-N	-1	0	253.305	2.697	20	30		CFEDRM
Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1CCC#N	ZINC000601940909	350811487	/nfs/dbraw/zinc/81/14/87/350811487.db2.gz	SUWRBRLVNNTSPZ-GFCCVEGCSA-N	-1	0	275.739	2.978	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000602013814	350831464	/nfs/dbraw/zinc/83/14/64/350831464.db2.gz	ZAIGLGLSCBLYPT-WDEREUQCSA-N	-1	0	287.425	2.690	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000602013810	350831615	/nfs/dbraw/zinc/83/16/15/350831615.db2.gz	ZAIGLGLSCBLYPT-QWRGUYRKSA-N	-1	0	287.425	2.690	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000602254315	350856448	/nfs/dbraw/zinc/85/64/48/350856448.db2.gz	GYOWMISKWDQDGA-UHFFFAOYSA-N	-1	0	280.397	2.526	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1C	ZINC000601994631	350825240	/nfs/dbraw/zinc/82/52/40/350825240.db2.gz	YJZAFGRLDSGRLP-OAHLLOKOSA-N	-1	0	274.320	2.696	20	30		CFEDRM
Cc1[n-]n(Cc2cccc3cccnc32)c(=O)c1CCC#N	ZINC000603921007	351191320	/nfs/dbraw/zinc/19/13/20/351191320.db2.gz	KJZXFQLVXZCJTK-HNNXBMFYSA-N	-1	0	292.342	2.873	20	30		CFEDRM
CCCn1c(S[C@@H](C#N)Cc2ccccc2)n[nH]c1=O	ZINC000604021968	351196639	/nfs/dbraw/zinc/19/66/39/351196639.db2.gz	ZDAUWCSXZHNOEI-GFCCVEGCSA-N	-1	0	288.376	2.621	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1ccc2ccccc2n1	ZINC000604690861	351222381	/nfs/dbraw/zinc/22/23/81/351222381.db2.gz	IORMJZHBSQXMNH-OAHLLOKOSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000612367232	351808713	/nfs/dbraw/zinc/80/87/13/351808713.db2.gz	NHVFCBWDIRXMJE-AWEZNQCLSA-N	-1	0	278.739	2.811	20	30		CFEDRM
N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1ccccn1	ZINC000613296719	351934490	/nfs/dbraw/zinc/93/44/90/351934490.db2.gz	WJEJSHHQFRPQIF-NSHDSACASA-N	-1	0	278.271	2.555	20	30		CFEDRM
N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2ccccc2o1	ZINC000528927762	383679070	/nfs/dbraw/zinc/67/90/70/383679070.db2.gz	KTKGEADHIWODTR-LBPRGKRZSA-N	-1	0	292.298	2.849	20	30		CFEDRM
Cc1cc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1CO	ZINC000615894793	352257968	/nfs/dbraw/zinc/25/79/68/352257968.db2.gz	WKBBWRGFEKPSTK-UHFFFAOYSA-N	-1	0	296.326	2.625	20	30		CFEDRM
C=CCC1(NC(=O)c2ccc([O-])c(Cl)c2)CCOCC1	ZINC000618246763	352737823	/nfs/dbraw/zinc/73/78/23/352737823.db2.gz	YKDSMCMQAKQPCF-UHFFFAOYSA-N	-1	0	295.766	2.901	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000618348157	352756922	/nfs/dbraw/zinc/75/69/22/352756922.db2.gz	DKHYKDKOIWICAG-UHFFFAOYSA-N	-1	0	279.409	2.865	20	30		CFEDRM
CC(C)(C)c1nc(=N[C@@H]2CCc3cc(C#N)ccc32)[n-]o1	ZINC000618694534	352862711	/nfs/dbraw/zinc/86/27/11/352862711.db2.gz	PNZGAFJQOKKDNT-CYBMUJFWSA-N	-1	0	282.347	2.760	20	30		CFEDRM
CC(C)c1noc(=N[C@H]2CCc3cc(C#N)ccc32)[n-]1	ZINC000618693572	352862782	/nfs/dbraw/zinc/86/27/82/352862782.db2.gz	ZFDQEDXDXGMRSI-ZDUSSCGKSA-N	-1	0	268.320	2.586	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000669049062	539936020	/nfs/dbraw/zinc/93/60/20/539936020.db2.gz	KWBJVVLSFNEDET-UHFFFAOYSA-N	-1	0	289.335	2.747	20	30		CFEDRM
CO[C@H](C)c1nc(=N[C@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000619745005	353062740	/nfs/dbraw/zinc/06/27/40/353062740.db2.gz	ZNXFPUYMPGBJGJ-NXEZZACHSA-N	-1	0	288.376	2.712	20	30		CFEDRM
N#C[C@H](Sc1n[n-]c(=N)s1)c1ccc(Cl)cc1	ZINC000619864160	353069071	/nfs/dbraw/zinc/06/90/71/353069071.db2.gz	VNXSYVGYABOOJD-QMMMGPOBSA-N	-1	0	282.781	2.961	20	30		CFEDRM
C=CCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000621588453	353382352	/nfs/dbraw/zinc/38/23/52/353382352.db2.gz	YHLLOFXDAZEIET-KBPBESRZSA-N	-1	0	273.332	2.770	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCC1	ZINC000158385990	188373620	/nfs/dbraw/zinc/37/36/20/188373620.db2.gz	FLMOYFDDCORIBA-UHFFFAOYSA-N	-1	0	273.317	2.749	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2csc(C3CC3)n2)nc(C)n1	ZINC000622650287	353533588	/nfs/dbraw/zinc/53/35/88/353533588.db2.gz	QFVNZRFBFGAQIF-LLVKDONJSA-N	-1	0	298.371	2.917	20	30		CFEDRM
C=CCCOCCN=c1nc(-c2ccccc2C)[n-]s1	ZINC000624066373	353796410	/nfs/dbraw/zinc/79/64/10/353796410.db2.gz	HUZOXSMDLKRZCG-UHFFFAOYSA-N	-1	0	289.404	2.940	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCc2occc2[C@H]1C(=O)[O-]	ZINC000630240147	355032267	/nfs/dbraw/zinc/03/22/67/355032267.db2.gz	VQUPZNLRRZMSSC-AWEZNQCLSA-N	-1	0	289.331	2.558	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1	ZINC000630301599	355045859	/nfs/dbraw/zinc/04/58/59/355045859.db2.gz	NMQZPTUMGFMETL-CYBMUJFWSA-N	-1	0	259.305	2.566	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC000630301470	355046045	/nfs/dbraw/zinc/04/60/45/355046045.db2.gz	MMLKCFCAHTXPSA-ZDUSSCGKSA-N	-1	0	259.305	2.566	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630317847	355049324	/nfs/dbraw/zinc/04/93/24/355049324.db2.gz	BPSPRKHEXVOFMZ-UONOGXRCSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000630319812	355049971	/nfs/dbraw/zinc/04/99/71/355049971.db2.gz	IFUOLLFBJZYFKS-JOYOIKCWSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CSc1ccc(C)cc1)C(=O)[O-]	ZINC000630319112	355050032	/nfs/dbraw/zinc/05/00/32/355050032.db2.gz	SBBXLXUQQZFTDC-CYBMUJFWSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000630320172	355050037	/nfs/dbraw/zinc/05/00/37/355050037.db2.gz	QFGQCUPVEKHIQN-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CC(=C)C)C(=O)[O-])c1ccccc1	ZINC000630320296	355050785	/nfs/dbraw/zinc/05/07/85/355050785.db2.gz	SLZYKTREUYUBCG-DZGCQCFKSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000630320736	355050881	/nfs/dbraw/zinc/05/08/81/355050881.db2.gz	AUYVCELNWMHEER-CHWSQXEVSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CO[C@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630320722	355050970	/nfs/dbraw/zinc/05/09/70/355050970.db2.gz	AQJOAOLJVOYDFS-IHRRRGAJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630322066	355050974	/nfs/dbraw/zinc/05/09/74/355050974.db2.gz	OXLXLTAECDOOEN-JSGCOSHPSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)cc(Cl)c1)C(=O)[O-]	ZINC000630320201	355051044	/nfs/dbraw/zinc/05/10/44/355051044.db2.gz	QQHBMXJNIYQEEM-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000630324504	355052470	/nfs/dbraw/zinc/05/24/70/355052470.db2.gz	FERSVJORVRQZOZ-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000630326678	355053046	/nfs/dbraw/zinc/05/30/46/355053046.db2.gz	RTRZJYLRFBEMDZ-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000630332403	355053740	/nfs/dbraw/zinc/05/37/40/355053740.db2.gz	YLHCYXUGCKZNOC-SNVBAGLBSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(C)cc(F)c1)C(=O)[O-]	ZINC000630543059	355107596	/nfs/dbraw/zinc/10/75/96/355107596.db2.gz	APRYSPIXAHYEFV-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(=O)[O-]	ZINC000630466843	355090801	/nfs/dbraw/zinc/09/08/01/355090801.db2.gz	ADXUWVWTLRZQOK-LBPRGKRZSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCCC1=CCCCC1)C(=O)[O-]	ZINC000630470699	355091288	/nfs/dbraw/zinc/09/12/88/355091288.db2.gz	WCAGZRKSOSPHTR-ZDUSSCGKSA-N	-1	0	280.368	2.596	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000630495680	355094895	/nfs/dbraw/zinc/09/48/95/355094895.db2.gz	RWXSBQNMIUIXLN-NSHDSACASA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)s1)C(=O)[O-]	ZINC000630951786	355226215	/nfs/dbraw/zinc/22/62/15/355226215.db2.gz	OZDUJKPEIIYMHD-VIFPVBQESA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=C1CC(C)(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1	ZINC000631184485	355336888	/nfs/dbraw/zinc/33/68/88/355336888.db2.gz	MIYUVTYDFKJNQJ-UHFFFAOYSA-N	-1	0	291.401	2.983	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000632314977	355688059	/nfs/dbraw/zinc/68/80/59/355688059.db2.gz	FPTYWIVIBOXVQN-UHFFFAOYSA-N	-1	0	284.315	2.617	20	30		CFEDRM
C=CCC1(CNC(=O)NCCCCC(=O)[O-])CCCC1	ZINC000666550795	541108495	/nfs/dbraw/zinc/10/84/95/541108495.db2.gz	NMAYXHDBWIZYMW-UHFFFAOYSA-N	-1	0	282.384	2.677	20	30		CFEDRM
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C2CCCCC2)O1	ZINC000330359180	304123768	/nfs/dbraw/zinc/12/37/68/304123768.db2.gz	VSVPAOLVNMBYIZ-RNJOBUHISA-N	-1	0	281.352	2.544	20	30		CFEDRM
CCOc1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)on1	ZINC000459846955	245341725	/nfs/dbraw/zinc/34/17/25/245341725.db2.gz	RZILNCIOJULFCQ-UHFFFAOYSA-N	-1	0	291.332	2.876	20	30		CFEDRM
CC(C)(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000001518668	371678851	/nfs/dbraw/zinc/67/88/51/371678851.db2.gz	CIPWDYJXTOCLSI-UHFFFAOYSA-N	-1	0	293.330	2.703	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1	ZINC000013253212	372021640	/nfs/dbraw/zinc/02/16/40/372021640.db2.gz	KJQIREZMBHWECC-UHFFFAOYSA-N	-1	0	272.304	2.532	20	30		CFEDRM
C[C@H](CN(C)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000263565036	383682625	/nfs/dbraw/zinc/68/26/25/383682625.db2.gz	VGVXEKVPXUPZGK-MRVPVSSYSA-N	-1	0	286.253	2.734	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)Nc2ccccc2)cc1C#N	ZINC000031906799	372422535	/nfs/dbraw/zinc/42/25/35/372422535.db2.gz	LFOPYSBHUGDXBW-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)[C@H]1CC=CCC1	ZINC000042242865	372893703	/nfs/dbraw/zinc/89/37/03/372893703.db2.gz	HSHXHRSXYGWZCI-VIFPVBQESA-N	-1	0	271.363	2.750	20	30		CFEDRM
C=CCOc1cccnc1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000431645798	383687532	/nfs/dbraw/zinc/68/75/32/383687532.db2.gz	ZGSMIOBYVPMQHB-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1	ZINC000048505650	373194262	/nfs/dbraw/zinc/19/42/62/373194262.db2.gz	OVRSTRQAWXNXFU-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)n1	ZINC000048520485	373196196	/nfs/dbraw/zinc/19/61/96/373196196.db2.gz	SRXQCOANPXRPDP-NSHDSACASA-N	-1	0	288.376	2.893	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1csc2c1CCCC2	ZINC000049417858	373294631	/nfs/dbraw/zinc/29/46/31/373294631.db2.gz	JEUXWEPTYGSESS-UHFFFAOYSA-N	-1	0	287.406	2.670	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(F)cc1	ZINC000049513450	373305859	/nfs/dbraw/zinc/30/58/59/373305859.db2.gz	AWWZNMLORILPQG-UHFFFAOYSA-N	-1	0	285.340	2.793	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000054399879	373524338	/nfs/dbraw/zinc/52/43/38/373524338.db2.gz	VXWLWRDMGQJTLV-ZDUSSCGKSA-N	-1	0	261.321	2.675	20	30		CFEDRM
Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000083764887	374756812	/nfs/dbraw/zinc/75/68/12/374756812.db2.gz	JJFXDENSDJMYJJ-NSHDSACASA-N	-1	0	290.282	2.528	20	30		CFEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc2ccccc2[nH]1	ZINC000083937562	374758246	/nfs/dbraw/zinc/75/82/46/374758246.db2.gz	IDFSEGJDQRWCBS-SNVBAGLBSA-N	-1	0	292.323	2.986	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000262069711	190048121	/nfs/dbraw/zinc/04/81/21/190048121.db2.gz	FFOKHTKUAGMFRS-WDEREUQCSA-N	-1	0	293.388	2.946	20	30		CFEDRM
CCCCCCCC(=O)NCc1nc(C(=O)[O-])cs1	ZINC000117492600	376246015	/nfs/dbraw/zinc/24/60/15/376246015.db2.gz	RGMYBVKYPZAABO-UHFFFAOYSA-N	-1	0	284.381	2.818	20	30		CFEDRM
C=C[C@H](CC(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC000262812986	190063355	/nfs/dbraw/zinc/06/33/55/190063355.db2.gz	UNBBTSOVOPVKML-CYBMUJFWSA-N	-1	0	275.348	2.717	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000263466096	190068817	/nfs/dbraw/zinc/06/88/17/190068817.db2.gz	QXIVRZTUTDMROT-ZFWWWQNUSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000678988464	542105657	/nfs/dbraw/zinc/10/56/57/542105657.db2.gz	OUFRLHGSWWOCDT-CQSZACIVSA-N	-1	0	291.322	2.836	20	30		CFEDRM
C=CCCOCCNC(=O)c1cc2ccccc2cc1O	ZINC000129609765	377452493	/nfs/dbraw/zinc/45/24/93/377452493.db2.gz	OMXPBHMKSKGGRX-UHFFFAOYSA-N	-1	0	285.343	2.868	20	30		CFEDRM
C=CCCOCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000129629288	377453973	/nfs/dbraw/zinc/45/39/73/377453973.db2.gz	TULROAUYWOTNGA-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000132040762	377793505	/nfs/dbraw/zinc/79/35/05/377793505.db2.gz	CFWKJMRSKOPKTL-KOLCDFICSA-N	-1	0	298.795	2.679	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC000571804195	383728954	/nfs/dbraw/zinc/72/89/54/383728954.db2.gz	LIMTUIXJZBZDFD-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COC1(C)CN(C([O-])=Nc2nc3ccsc3s2)C1	ZINC000329377639	378459911	/nfs/dbraw/zinc/45/99/11/378459911.db2.gz	MGPNVERYVYTJHC-UHFFFAOYSA-N	-1	0	283.378	2.624	20	30		CFEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1C	ZINC000330456681	378560345	/nfs/dbraw/zinc/56/03/45/378560345.db2.gz	OBKHDQADDZRKDV-NSHDSACASA-N	-1	0	288.376	2.775	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCCOC2)c1[O-]	ZINC000171647980	379363714	/nfs/dbraw/zinc/36/37/14/379363714.db2.gz	LYQNMDXNLXDYHQ-XPWNQWCVSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1	ZINC000335548021	379490000	/nfs/dbraw/zinc/49/00/00/379490000.db2.gz	AVWSVTSIMOOQMH-GHMZBOCLSA-N	-1	0	258.321	2.524	20	30		CFEDRM
N#Cc1ccc2c(c1)N(C(=O)c1cc(F)ccc1[O-])CC2	ZINC000335703495	379752666	/nfs/dbraw/zinc/75/26/66/379752666.db2.gz	LCRCNQIUELKHSH-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ncc(C(=O)[O-])s2)s1	ZINC000176407641	380228893	/nfs/dbraw/zinc/22/88/93/380228893.db2.gz	FJGWBRMQLNHWFI-ONEGZZNKSA-N	-1	0	262.315	2.945	20	30		CFEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000336290488	380310215	/nfs/dbraw/zinc/31/02/15/380310215.db2.gz	LQRPLQMVHSTRCO-PWCHPLFNSA-N	-1	0	268.675	2.673	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000336528798	380419184	/nfs/dbraw/zinc/41/91/84/380419184.db2.gz	QTPRLUVLEUVFFD-UHFFFAOYSA-N	-1	0	284.387	2.791	20	30		CFEDRM
CCn1nccc1/C=C1\CCc2cc(O)ccc2C1=O	ZINC000178879012	380491892	/nfs/dbraw/zinc/49/18/92/380491892.db2.gz	JNLSVKRBYDCSQP-FMIVXFBMSA-N	-1	0	268.316	2.821	20	30		CFEDRM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)o2)c1	ZINC000358562240	380929094	/nfs/dbraw/zinc/92/90/94/380929094.db2.gz	ONBYDLAPJTVDTP-UHFFFAOYSA-N	-1	0	293.344	2.954	20	30		CFEDRM
C=C(CC)CSc1n[n-]c(=NC[C@@H]2CCCO2)s1	ZINC000358563827	380929893	/nfs/dbraw/zinc/92/98/93/380929893.db2.gz	QXVNZQBACMSOAE-JTQLQIEISA-N	-1	0	285.438	2.609	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000347243112	381024454	/nfs/dbraw/zinc/02/44/54/381024454.db2.gz	UEOIQMRFHQUEPO-OAHLLOKOSA-N	-1	0	284.290	2.805	20	30		CFEDRM
N#Cc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1	ZINC000347416293	381136873	/nfs/dbraw/zinc/13/68/73/381136873.db2.gz	KPAMAEWVRZZDDM-SNAWJCMRSA-N	-1	0	250.257	2.822	20	30		CFEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000183633835	381299227	/nfs/dbraw/zinc/29/92/27/381299227.db2.gz	MHBUYBSKKVRUPR-BJOHPYRUSA-N	-1	0	294.301	2.873	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)cc1	ZINC000359285046	381327271	/nfs/dbraw/zinc/32/72/71/381327271.db2.gz	LJECUNMVSNAHGF-UHFFFAOYSA-N	-1	0	290.326	2.566	20	30		CFEDRM
CC(C)n1nccc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000359527547	381451813	/nfs/dbraw/zinc/45/18/13/381451813.db2.gz	SKGMDRIUVFKQFE-XQRVVYSFSA-N	-1	0	282.303	2.599	20	30		CFEDRM
CCC(CC)[C@@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359712037	381572934	/nfs/dbraw/zinc/57/29/34/381572934.db2.gz	AZRKKPUSUNUPOM-SECBINFHSA-N	-1	0	274.368	2.591	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1	ZINC000361529449	381840595	/nfs/dbraw/zinc/84/05/95/381840595.db2.gz	YDSMSBSIHHHVNQ-HNNXBMFYSA-N	-1	0	290.326	2.941	20	30		CFEDRM
CC[C@H](CC1CCCCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000415250858	381818921	/nfs/dbraw/zinc/81/89/21/381818921.db2.gz	DPGWAFVUERWJKD-CYBMUJFWSA-N	-1	0	288.395	2.649	20	30		CFEDRM
C=C(Cl)CN(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000299224323	381864451	/nfs/dbraw/zinc/86/44/51/381864451.db2.gz	IEOSYBYIMNVNGO-UHFFFAOYSA-N	-1	0	269.757	2.581	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2occc2-c2ccccc2)c1C#N	ZINC000357164239	382034847	/nfs/dbraw/zinc/03/48/47/382034847.db2.gz	MUNDQPXYMXBMFC-UHFFFAOYSA-N	-1	0	292.298	2.524	20	30		CFEDRM
Cc1n[n-]c(=N[C@H]2CCCc3cc(C#N)ccc32)s1	ZINC000419016340	382218283	/nfs/dbraw/zinc/21/82/83/382218283.db2.gz	OZUWJYAULGHPKL-ZDUSSCGKSA-N	-1	0	270.361	2.630	20	30		CFEDRM
CN(C)c1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188284492	382382563	/nfs/dbraw/zinc/38/25/63/382382563.db2.gz	DQSACMMGZRJSBB-UHFFFAOYSA-N	-1	0	281.315	2.582	20	30		CFEDRM
CCc1cnc(NC(=O)c2ccc(C#N)c([O-])c2)s1	ZINC000188577388	382437966	/nfs/dbraw/zinc/43/79/66/382437966.db2.gz	KVZSYEDXZVOJPC-UHFFFAOYSA-N	-1	0	273.317	2.535	20	30		CFEDRM
COc1ccc(-c2n[n-]c(=NCCCCC#N)s2)cc1	ZINC000420588719	382414428	/nfs/dbraw/zinc/41/44/28/382414428.db2.gz	SIKBXKNSNXGEFD-UHFFFAOYSA-N	-1	0	288.376	2.741	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1F	ZINC000307969807	382472675	/nfs/dbraw/zinc/47/26/75/382472675.db2.gz	WHULXIDJWQAXDC-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H](O)CC2CCCC2)s1	ZINC000352900848	382480853	/nfs/dbraw/zinc/48/08/53/382480853.db2.gz	KBVYHZFYBCKSHN-LLVKDONJSA-N	-1	0	299.465	2.591	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)s1	ZINC000680617237	542342826	/nfs/dbraw/zinc/34/28/26/542342826.db2.gz	JVABKWYMYMHNCC-NSHDSACASA-N	-1	0	257.318	2.645	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)s1	ZINC000680617236	542343211	/nfs/dbraw/zinc/34/32/11/542343211.db2.gz	JVABKWYMYMHNCC-LLVKDONJSA-N	-1	0	257.318	2.645	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)o1	ZINC000190988865	382687475	/nfs/dbraw/zinc/68/74/75/382687475.db2.gz	HXYXFGZYFCPLSC-NSHDSACASA-N	-1	0	292.298	2.725	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000398222478	382635405	/nfs/dbraw/zinc/63/54/05/382635405.db2.gz	OJIQBAXDYQMBBL-OLZOCXBDSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000398224914	382635515	/nfs/dbraw/zinc/63/55/15/382635515.db2.gz	PPPMMCUWMOXUOS-LBPRGKRZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000398223843	382635522	/nfs/dbraw/zinc/63/55/22/382635522.db2.gz	OZCUVJVVNIPHOM-GFCCVEGCSA-N	-1	0	284.400	2.921	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000398211927	382635548	/nfs/dbraw/zinc/63/55/48/382635548.db2.gz	JYWBXOIYPNEATG-GRYCIOLGSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000192415804	382708644	/nfs/dbraw/zinc/70/86/44/382708644.db2.gz	ZYYIZBMGAWINRQ-ZDUSSCGKSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000192846373	382712778	/nfs/dbraw/zinc/71/27/78/382712778.db2.gz	JHUHWEMROBBBFQ-GFCCVEGCSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000192846361	382712899	/nfs/dbraw/zinc/71/28/99/382712899.db2.gz	JHUHWEMROBBBFQ-LBPRGKRZSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000192909242	382713625	/nfs/dbraw/zinc/71/36/25/382713625.db2.gz	FVDGTHNRUTXTJF-GFCCVEGCSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000193610542	382721529	/nfs/dbraw/zinc/72/15/29/382721529.db2.gz	CYULGAPVDZKCGC-UHFFFAOYSA-N	-1	0	293.323	2.514	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccnc(C(=O)[O-])c1	ZINC000237976465	382976584	/nfs/dbraw/zinc/97/65/84/382976584.db2.gz	LQOCYESPLBNIGA-UHFFFAOYSA-N	-1	0	296.326	2.608	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])nc1	ZINC000238030472	382977317	/nfs/dbraw/zinc/97/73/17/382977317.db2.gz	IVSIXCNOSLFIMG-UHFFFAOYSA-N	-1	0	296.326	2.608	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCC2CCC(C#N)CC2)s1	ZINC000579193590	382990272	/nfs/dbraw/zinc/99/02/72/382990272.db2.gz	IJCOXIVDPQURMD-UHFFFAOYSA-N	-1	0	278.425	2.999	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447798881	383006863	/nfs/dbraw/zinc/00/68/63/383006863.db2.gz	BUHVQAFVGONFPP-SNVBAGLBSA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000448987535	383124464	/nfs/dbraw/zinc/12/44/64/383124464.db2.gz	BPFSATLEZBJZTO-ONGXEEELSA-N	-1	0	267.350	2.592	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2conc2C2CC2)n1	ZINC000565096114	383175873	/nfs/dbraw/zinc/17/58/73/383175873.db2.gz	HKJPJMWFVCXTHY-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC000556680230	383151782	/nfs/dbraw/zinc/15/17/82/383151782.db2.gz	UBQLPAYZMKYATO-NEPJUHHUSA-N	-1	0	282.384	2.768	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634899219	383396861	/nfs/dbraw/zinc/39/68/61/383396861.db2.gz	GDCXKRUXPYFIIJ-BZNIZROVSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCC1	ZINC000634944782	383416103	/nfs/dbraw/zinc/41/61/03/383416103.db2.gz	DXAWWHFYMIIGSM-LBPRGKRZSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@](C)(CC)CC(=O)[O-])C1	ZINC000634928546	383408426	/nfs/dbraw/zinc/40/84/26/383408426.db2.gz	PLHKVLMUULNSHZ-DOMZBBRYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634933378	383410713	/nfs/dbraw/zinc/41/07/13/383410713.db2.gz	XMOPEDGFHUFSMQ-CQSZACIVSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CCNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634839683	383375488	/nfs/dbraw/zinc/37/54/88/383375488.db2.gz	QIRPXFVIIJQZNQ-CQSZACIVSA-N	-1	0	281.377	2.563	20	30		CFEDRM
CC(C)(C)c1nc(=N[C@H]2CC[C@@H](CC#N)C2)s[n-]1	ZINC000450671939	383480790	/nfs/dbraw/zinc/48/07/90/383480790.db2.gz	JDPCCJYFBMLZND-UWVGGRQHSA-N	-1	0	264.398	2.752	20	30		CFEDRM
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C	ZINC000340961080	383511045	/nfs/dbraw/zinc/51/10/45/383511045.db2.gz	HSUDGUZKTXURNF-UHFFFAOYSA-N	-1	0	290.344	2.823	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000570108285	383573539	/nfs/dbraw/zinc/57/35/39/383573539.db2.gz	YHTUFFUJAVUUCI-UHFFFAOYSA-N	-1	0	261.321	2.861	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429598689	383553223	/nfs/dbraw/zinc/55/32/23/383553223.db2.gz	QEZHOGSOAYSZRW-VIFPVBQESA-N	-1	0	297.343	2.521	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(SC)ccc1C)C(=O)[O-]	ZINC000262855140	383641580	/nfs/dbraw/zinc/64/15/80/383641580.db2.gz	IFHJTWMACZPUQE-CYBMUJFWSA-N	-1	0	293.388	2.866	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1c(C)[nH]c2ccccc21)C(=O)[O-]	ZINC000262846377	383641796	/nfs/dbraw/zinc/64/17/96/383641796.db2.gz	HJVPPQKGPZJJHX-ZDUSSCGKSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000262837305	383642144	/nfs/dbraw/zinc/64/21/44/383642144.db2.gz	GNCKBLLTSSXQGE-HNNXBMFYSA-N	-1	0	287.359	2.715	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000262977557	383647948	/nfs/dbraw/zinc/64/79/48/383647948.db2.gz	TZWJGBMBMGUOHF-ZETCQYMHSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1[n-]nc(C(C)(C)C)s1	ZINC000435589086	383776481	/nfs/dbraw/zinc/77/64/81/383776481.db2.gz	PTGCBVNKURBNMK-MNOVXSKESA-N	-1	0	281.425	2.651	20	30		CFEDRM
Cn1cc(CNc2cccc(CCC(=O)[O-])c2)cc1C#N	ZINC000263479805	383670466	/nfs/dbraw/zinc/67/04/66/383670466.db2.gz	GBVQFOVAHLIYBL-UHFFFAOYSA-N	-1	0	283.331	2.526	20	30		CFEDRM
COc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1O	ZINC000436731888	383884572	/nfs/dbraw/zinc/88/45/72/383884572.db2.gz	NYDVKEODXUQUCM-DJWKRKHSSA-N	-1	0	296.282	2.536	20	30		CFEDRM
CC#CCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000646463095	384003040	/nfs/dbraw/zinc/00/30/40/384003040.db2.gz	MOXFSODODNJFBV-UHFFFAOYSA-N	-1	0	283.331	2.914	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)oc1C	ZINC000532622824	384053554	/nfs/dbraw/zinc/05/35/54/384053554.db2.gz	DTGSTANGLKBZBX-GFCCVEGCSA-N	-1	0	269.304	2.793	20	30		CFEDRM
C=CCN(C(=O)/C=C/c1ccc(C(=O)[O-])cc1)C1CC1	ZINC000278000451	384457759	/nfs/dbraw/zinc/45/77/59/384457759.db2.gz	VEXGBLOEYCTZJF-BJMVGYQFSA-N	-1	0	271.316	2.575	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1cc(C(F)(F)F)ccn1	ZINC000643778779	384763707	/nfs/dbraw/zinc/76/37/07/384763707.db2.gz	OWEIZXOKVPPUQW-QMMMGPOBSA-N	-1	0	281.193	2.578	20	30		CFEDRM
C=CCCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000279842707	384783497	/nfs/dbraw/zinc/78/34/97/384783497.db2.gz	RMVKRFWHDCWSOB-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
CC(C)[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271311488	385378708	/nfs/dbraw/zinc/37/87/08/385378708.db2.gz	LYOUQPOKLSMMOK-KXLNPEPSSA-N	-1	0	292.335	2.923	20	30		CFEDRM
CC(C)(C)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000281430845	195237153	/nfs/dbraw/zinc/23/71/53/195237153.db2.gz	JDWAXJSOKHLACJ-UHFFFAOYSA-N	-1	0	276.365	2.586	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1	ZINC000336854512	128625526	/nfs/dbraw/zinc/62/55/26/128625526.db2.gz	PICQAFXEZOUVPD-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
N#Cc1nc(NC(=O)c2ccc3ccccc3c2)[n-]c1C#N	ZINC000026273558	393495360	/nfs/dbraw/zinc/49/53/60/393495360.db2.gz	NJBURWJYBMRUCO-UHFFFAOYSA-N	-1	0	287.282	2.559	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2O)cc1[O-]	ZINC000188355999	393563764	/nfs/dbraw/zinc/56/37/64/393563764.db2.gz	LXHHSXLBMYAYJI-UHFFFAOYSA-N	-1	0	288.690	2.875	20	30		CFEDRM
CCC[C@H]1CCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544459	393629287	/nfs/dbraw/zinc/62/92/87/393629287.db2.gz	WDMKVXHXPSTWNL-GXTWGEPZSA-N	-1	0	288.395	2.912	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000192915931	393636391	/nfs/dbraw/zinc/63/63/91/393636391.db2.gz	LTIJCMFPVUGKGV-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC000192917084	393636561	/nfs/dbraw/zinc/63/65/61/393636561.db2.gz	HWYNXXJMUXTFKS-CQSZACIVSA-N	-1	0	289.375	2.745	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000192920509	393637459	/nfs/dbraw/zinc/63/74/59/393637459.db2.gz	OLNOIWDZPBCXFD-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(C(=O)[O-])cc2)nc1	ZINC000193445493	393651809	/nfs/dbraw/zinc/65/18/09/393651809.db2.gz	AUUZNWYHIYRZHN-XVNBXDOJSA-N	-1	0	250.257	2.822	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H](CC(C)C)OC)s1	ZINC000416903135	393945470	/nfs/dbraw/zinc/94/54/70/393945470.db2.gz	ZRTQLUGBNNXREK-SNVBAGLBSA-N	-1	0	287.454	2.711	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1SC	ZINC000416953123	393946744	/nfs/dbraw/zinc/94/67/44/393946744.db2.gz	HIOZEEBPHPWYIH-JTQLQIEISA-N	-1	0	284.406	2.761	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1SC	ZINC000416953125	393946912	/nfs/dbraw/zinc/94/69/12/393946912.db2.gz	HIOZEEBPHPWYIH-SNVBAGLBSA-N	-1	0	284.406	2.761	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(N3CC(C(=O)[O-])C3)c2c1	ZINC000416442873	393920149	/nfs/dbraw/zinc/92/01/49/393920149.db2.gz	UXCOMULLBOHISJ-UHFFFAOYSA-N	-1	0	295.342	2.751	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000263104361	393960938	/nfs/dbraw/zinc/96/09/38/393960938.db2.gz	WELZWHYZZLKRPQ-IUODEOHRSA-N	-1	0	267.369	2.548	20	30		CFEDRM
COc1cc(/C=C\c2ccncc2C#N)cc([N+](=O)[O-])c1[O-]	ZINC000436813330	394023441	/nfs/dbraw/zinc/02/34/41/394023441.db2.gz	DMVKICXAPMGVCW-IHWYPQMZSA-N	-1	0	297.270	2.746	20	30		CFEDRM
C=CC1CCN(C(=O)N=c2[n-]nc(SCC)s2)CC1	ZINC000349552136	393971191	/nfs/dbraw/zinc/97/11/91/393971191.db2.gz	NHQWJQDIAGKNIB-UHFFFAOYSA-N	-1	0	298.437	2.502	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)c1c([O-])cccc1F	ZINC000123386248	393980172	/nfs/dbraw/zinc/98/01/72/393980172.db2.gz	GEWVPKIMWLQLKW-UHFFFAOYSA-N	-1	0	278.327	2.933	20	30		CFEDRM
C[C@H](Cc1ccc(NCc2cc(C#N)n(C)c2)cc1)C(=O)[O-]	ZINC000417608222	393983032	/nfs/dbraw/zinc/98/30/32/393983032.db2.gz	IIZVOVOQRYQUSX-GFCCVEGCSA-N	-1	0	297.358	2.772	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(O)c(C(=O)[O-])c2)nc1	ZINC000436826930	394024930	/nfs/dbraw/zinc/02/49/30/394024930.db2.gz	CDCDCWBUHZJBAX-DAFODLJHSA-N	-1	0	266.256	2.527	20	30		CFEDRM
Cn1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C#N	ZINC000417630218	393987680	/nfs/dbraw/zinc/98/76/80/393987680.db2.gz	UIZUPAUIWAVSEV-UHFFFAOYSA-N	-1	0	297.358	2.871	20	30		CFEDRM
C#C[C@H](C)N(C)C(=O)c1ccc2ccccc2c1O	ZINC000491698698	394056665	/nfs/dbraw/zinc/05/66/65/394056665.db2.gz	MCRMBZHMJZJARZ-NSHDSACASA-N	-1	0	253.301	2.639	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2cnccc2C#N)c1	ZINC000436838553	394027814	/nfs/dbraw/zinc/02/78/14/394027814.db2.gz	RLIYZTBKIMFROP-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cscc2C#N)c1	ZINC000436935258	394035725	/nfs/dbraw/zinc/03/57/25/394035725.db2.gz	OIBLCVYMLULUPZ-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCCCc1ccsc1	ZINC000360949029	394161437	/nfs/dbraw/zinc/16/14/37/394161437.db2.gz	FYTVAFAGFQGFEM-UHFFFAOYSA-N	-1	0	280.422	2.663	20	30		CFEDRM
CC(C)(C)CC[C@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000449149079	394229995	/nfs/dbraw/zinc/22/99/95/394229995.db2.gz	VZBJZUQPGUONGI-ZDUSSCGKSA-N	-1	0	288.347	2.568	20	30		CFEDRM
C=C1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1	ZINC000493444845	394244643	/nfs/dbraw/zinc/24/46/43/394244643.db2.gz	AJJOPUZTYJAOMB-DAXSKMNVSA-N	-1	0	271.316	2.577	20	30		CFEDRM
C=CC1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1	ZINC000493638425	394296921	/nfs/dbraw/zinc/29/69/21/394296921.db2.gz	AKJBKJWIINMLCM-YVMONPNESA-N	-1	0	285.343	2.823	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000519708229	394376117	/nfs/dbraw/zinc/37/61/17/394376117.db2.gz	UIBHOXGXNRFABI-GRYCIOLGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nc(C2CC2)cs1	ZINC000647379724	395320491	/nfs/dbraw/zinc/32/04/91/395320491.db2.gz	ILXAEUGHPUDZTE-NSHDSACASA-N	-1	0	294.339	2.777	20	30		CFEDRM
C=CCn1c(-c2scnc2C)n[n-]c1=NC(C)(C)C	ZINC000647379427	395320694	/nfs/dbraw/zinc/32/06/94/395320694.db2.gz	JAKCOLNZNNHLGV-UHFFFAOYSA-N	-1	0	277.397	2.528	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000649264084	395464130	/nfs/dbraw/zinc/46/41/30/395464130.db2.gz	RKBDQBMRLMKNHY-STQMWFEESA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCN(C(=O)c1ncccc1[O-])c1ccccc1	ZINC000647741810	395423937	/nfs/dbraw/zinc/42/39/37/395423937.db2.gz	KJEJKGKBJLXCKV-UHFFFAOYSA-N	-1	0	254.289	2.620	20	30		CFEDRM
C=C[C@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000653318639	413287315	/nfs/dbraw/zinc/28/73/15/413287315.db2.gz	SJAJSMALJBVCGG-UMVBOHGHSA-N	-1	0	287.359	2.810	20	30		CFEDRM
N#Cc1ccnc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000345635019	154225407	/nfs/dbraw/zinc/22/54/07/154225407.db2.gz	VLRCHJQSXBYAQX-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[O-]	ZINC000657036648	413294033	/nfs/dbraw/zinc/29/40/33/413294033.db2.gz	KZTJMDUGDBFXCW-QWHCGFSZSA-N	-1	0	295.404	2.805	20	30		CFEDRM
CC(C)n1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cn1	ZINC000352161002	154486949	/nfs/dbraw/zinc/48/69/49/154486949.db2.gz	RXYJDPCPGRXYAC-HYXAFXHYSA-N	-1	0	282.303	2.599	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000653474078	413314271	/nfs/dbraw/zinc/31/42/71/413314271.db2.gz	YNCFTZHYBGRVAL-STQMWFEESA-N	-1	0	265.353	2.516	20	30		CFEDRM
CCOc1cc(O)ccc1NC(=O)c1cscc1C#N	ZINC000349800394	163018349	/nfs/dbraw/zinc/01/83/49/163018349.db2.gz	CUBAVFSDDSEKSB-UHFFFAOYSA-N	-1	0	288.328	2.976	20	30		CFEDRM
C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000654810388	414002823	/nfs/dbraw/zinc/00/28/23/414002823.db2.gz	GAQPHZVILZCXOF-ZDUSSCGKSA-N	-1	0	294.326	2.607	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)CC(=O)[O-]	ZINC000659168219	414460077	/nfs/dbraw/zinc/46/00/77/414460077.db2.gz	TZYQBHNWOOOPHY-YNEHKIRRSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000659166109	414460444	/nfs/dbraw/zinc/46/04/44/414460444.db2.gz	IDNDYBYBNWICEI-WCQYABFASA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000659181759	414463202	/nfs/dbraw/zinc/46/32/02/414463202.db2.gz	UDZXRYJUJSFUBM-HUBLWGQQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(=O)[O-])cc1	ZINC000659229136	414474146	/nfs/dbraw/zinc/47/41/46/414474146.db2.gz	PCWOLKWJFSNVMA-OKILXGFUSA-N	-1	0	271.316	2.708	20	30		CFEDRM
C=CCC1(NC(=O)NCCCCCC(=O)[O-])CCCC1	ZINC000659406358	414517051	/nfs/dbraw/zinc/51/70/51/414517051.db2.gz	VWHZPXJFTMTKRU-UHFFFAOYSA-N	-1	0	282.384	2.820	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659408650	414517468	/nfs/dbraw/zinc/51/74/68/414517468.db2.gz	UWDCVQIEHMHJMV-QWHCGFSZSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCCCCCC(=O)[O-]	ZINC000659405891	414517480	/nfs/dbraw/zinc/51/74/80/414517480.db2.gz	RAFMERMCBOFKNM-UHFFFAOYSA-N	-1	0	270.373	2.675	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C(=O)[O-]	ZINC000656490374	414591984	/nfs/dbraw/zinc/59/19/84/414591984.db2.gz	BDZBSVGRFIVPCN-RRFJBIMHSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=CCCC1(CNC(=O)N(CC(=O)[O-])C2CC2)CCCC1	ZINC000656588722	414611063	/nfs/dbraw/zinc/61/10/63/414611063.db2.gz	RGRRLNRUGDGFLQ-UHFFFAOYSA-N	-1	0	294.395	2.772	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000656246143	414551139	/nfs/dbraw/zinc/55/11/39/414551139.db2.gz	CHMRXJZHQREIFC-UHFFFAOYSA-N	-1	0	267.350	2.923	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]CC(F)(F)c1ccccc1C	ZINC000660055929	414656528	/nfs/dbraw/zinc/65/65/28/414656528.db2.gz	JCGAXNVODZELIS-UHFFFAOYSA-N	-1	0	289.347	2.582	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000663120119	414653092	/nfs/dbraw/zinc/65/30/92/414653092.db2.gz	RSFFKDRUHGRXGI-NSHDSACASA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000663125857	414653931	/nfs/dbraw/zinc/65/39/31/414653931.db2.gz	TVFNNSZDXRIZSR-CHWSQXEVSA-N	-1	0	275.348	2.668	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1ccc(C(F)(F)F)cc1C#N	ZINC000044619535	175218905	/nfs/dbraw/zinc/21/89/05/175218905.db2.gz	FNAXZNJSWFVTKC-SNVBAGLBSA-N	-1	0	286.253	2.876	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000044619499	175219301	/nfs/dbraw/zinc/21/93/01/175219301.db2.gz	SRELKPHGXJSWFK-LLVKDONJSA-N	-1	0	286.253	2.876	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1	ZINC000346014769	225678267	/nfs/dbraw/zinc/67/82/67/225678267.db2.gz	LCAWJYVHJVNFSF-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
N#CC1(CSc2n[n-]c(=NCc3ccco3)s2)CC1	ZINC000347079893	226040972	/nfs/dbraw/zinc/04/09/72/226040972.db2.gz	YILIRHIBTZSLPP-UHFFFAOYSA-N	-1	0	292.389	2.561	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000187550074	260040347	/nfs/dbraw/zinc/04/03/47/260040347.db2.gz	ZEORQBNPAMDUHL-FRRDWIJNSA-N	-1	0	265.353	2.587	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1	ZINC000175121183	261209158	/nfs/dbraw/zinc/20/91/58/261209158.db2.gz	MRKNBUCLJUVHPH-LBPRGKRZSA-N	-1	0	298.346	2.704	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCCC1	ZINC000238097460	262646741	/nfs/dbraw/zinc/64/67/41/262646741.db2.gz	JRZGKKNHKXYJFQ-UHFFFAOYSA-N	-1	0	276.267	2.546	20	30		CFEDRM
CC(C)(CC#N)CN=c1[n-]nc(Cc2ccccc2)s1	ZINC000413406909	262763366	/nfs/dbraw/zinc/76/33/66/262763366.db2.gz	KUWLCZDQUVNIFL-UHFFFAOYSA-N	-1	0	286.404	2.903	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1	ZINC000271927190	263000459	/nfs/dbraw/zinc/00/04/59/263000459.db2.gz	JMLPNYHQPPCDPK-MRVDTOTRSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1	ZINC000280890179	263064793	/nfs/dbraw/zinc/06/47/93/263064793.db2.gz	BSGGWJQNJMMVHY-RFMWKNBXSA-N	-1	0	298.726	2.798	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCc2ccc(F)cc2)CC12CCCC2	ZINC000294964095	263170193	/nfs/dbraw/zinc/17/01/93/263170193.db2.gz	NIBKZUQPQDISRC-INIZCTEOSA-N	-1	0	288.322	2.848	20	30		CFEDRM
CCCN(CC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000295422844	263177184	/nfs/dbraw/zinc/17/71/84/263177184.db2.gz	SKHFHCRIVVPIMQ-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000340887753	263312061	/nfs/dbraw/zinc/31/20/61/263312061.db2.gz	XIIMKGXURDIKMN-OAHLLOKOSA-N	-1	0	293.326	2.786	20	30		CFEDRM
CCCc1occc1C([O-])=C(C#N)c1ccncn1	ZINC000342679599	263462419	/nfs/dbraw/zinc/46/24/19/263462419.db2.gz	WGYOMFZIIDZOGV-LLVKDONJSA-N	-1	0	255.277	2.512	20	30		CFEDRM
C=CCCC[C@H](C)N=c1[n-]nc(-c2ccon2)s1	ZINC000342935807	263549604	/nfs/dbraw/zinc/54/96/04/263549604.db2.gz	TVVKJJCKHQMHPI-VIFPVBQESA-N	-1	0	264.354	2.772	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc2cccnc21	ZINC000416960084	263768104	/nfs/dbraw/zinc/76/81/04/263768104.db2.gz	QSGPJSCACDFPAB-LBPRGKRZSA-N	-1	0	289.360	2.587	20	30		CFEDRM
Cc1nc(CC(C)C)sc1C(=O)NC(C)(C)C(=O)[O-]	ZINC000331129678	264148153	/nfs/dbraw/zinc/14/81/53/264148153.db2.gz	ONJHSYYEPDAHDF-UHFFFAOYSA-N	-1	0	284.381	2.818	20	30		CFEDRM
CC(C)[C@](C)(CO)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331244611	264178688	/nfs/dbraw/zinc/17/86/88/264178688.db2.gz	SUOOELHIXABZJV-ZDUSSCGKSA-N	-1	0	289.734	2.896	20	30		CFEDRM
C=CCN(CCOC)C(=O)c1ccc2ccccc2c1O	ZINC000189416800	264296914	/nfs/dbraw/zinc/29/69/14/264296914.db2.gz	QOYNUJPYBCLGRY-UHFFFAOYSA-N	-1	0	285.343	2.820	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1[n-]nc(CCC)s1	ZINC000343289618	264373301	/nfs/dbraw/zinc/37/33/01/264373301.db2.gz	MAAKTDUAKNVDGW-SNVBAGLBSA-N	-1	0	282.413	2.779	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1[n-]nc(CCC)s1	ZINC000343289616	264373347	/nfs/dbraw/zinc/37/33/47/264373347.db2.gz	MAAKTDUAKNVDGW-JTQLQIEISA-N	-1	0	282.413	2.779	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356792811	266175643	/nfs/dbraw/zinc/17/56/43/266175643.db2.gz	VGAUGWVPRBNLCM-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=C(C)CS(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1	ZINC000357075506	266242204	/nfs/dbraw/zinc/24/22/04/266242204.db2.gz	NKQZDIUWIMITJT-NSHDSACASA-N	-1	0	297.376	2.583	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000357810290	266369917	/nfs/dbraw/zinc/36/99/17/266369917.db2.gz	QGMQAYBXMQTTQN-NSHDSACASA-N	-1	0	265.272	2.656	20	30		CFEDRM
Cc1cnc(-c2ccc(C)c(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001243194366	782055098	/nfs/dbraw/zinc/05/50/98/782055098.db2.gz	XJFHBFYUODUKLD-CAOOACKPSA-N	-1	0	270.288	2.872	20	30		CFEDRM
C[C@H](NCc1cc(C#N)cs1)c1ncc(C(=O)[O-])s1	ZINC000568392667	290551444	/nfs/dbraw/zinc/55/14/44/290551444.db2.gz	UZUKRLSBBCCILC-ZETCQYMHSA-N	-1	0	293.373	2.625	20	30		CFEDRM
Cc1ccc(-c2nccc(C#N)c2F)cc1C(=O)[O-]	ZINC001243196745	782057456	/nfs/dbraw/zinc/05/74/56/782057456.db2.gz	WEBFHUMILHRAEO-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncc(C#N)cc1F	ZINC001243201682	782061424	/nfs/dbraw/zinc/06/14/24/782061424.db2.gz	ZMQMAASBGWMRIT-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356807550	300911900	/nfs/dbraw/zinc/91/19/00/300911900.db2.gz	VYKCKGYZTODGHU-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[O-])cc1C(F)(F)F	ZINC000057364565	303193583	/nfs/dbraw/zinc/19/35/83/303193583.db2.gz	OZRGHLBRQPBBRO-LLVKDONJSA-N	-1	0	284.237	2.630	20	30		CFEDRM
Cc1cc(-c2cc3nc[nH]c3c(C#N)n2)ccc1C(=O)[O-]	ZINC001243211897	782072832	/nfs/dbraw/zinc/07/28/32/782072832.db2.gz	UZDGOSBIXPTCAG-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243212119	782073200	/nfs/dbraw/zinc/07/32/00/782073200.db2.gz	ZRWZFMUTCDOOIO-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCOc1cccc(NC(=O)C2(C(=O)[O-])CCCC2)c1	ZINC000580314997	327782097	/nfs/dbraw/zinc/78/20/97/327782097.db2.gz	PWAJBVKTKJWXPE-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000152146757	328074637	/nfs/dbraw/zinc/07/46/37/328074637.db2.gz	DOJHBEJPBHMJMS-ZETCQYMHSA-N	-1	0	257.692	2.879	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000412426321	328111172	/nfs/dbraw/zinc/11/11/72/328111172.db2.gz	YRJXMWPMNNHZDV-UHFFFAOYSA-N	-1	0	284.718	2.854	20	30		CFEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000292570967	328271872	/nfs/dbraw/zinc/27/18/72/328271872.db2.gz	UQQLCTCOHDGODK-CYBMUJFWSA-N	-1	0	282.702	2.607	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cc3cccc(C)c3s2)c1C#N	ZINC000572167040	322609566	/nfs/dbraw/zinc/60/95/66/322609566.db2.gz	NNNRBBNIVSLSLY-UHFFFAOYSA-N	-1	0	296.355	2.787	20	30		CFEDRM
COc1ccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])cc1C#N	ZINC000577651639	324765788	/nfs/dbraw/zinc/76/57/88/324765788.db2.gz	MQCADOTVYQQXMQ-UHFFFAOYSA-N	-1	0	299.330	2.884	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc3c(s2)CCC3)n1	ZINC000557323215	327001692	/nfs/dbraw/zinc/00/16/92/327001692.db2.gz	WEHOJROPLOMXDQ-MRVPVSSYSA-N	-1	0	289.385	2.887	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2CC[C@H](C)C2)s1	ZINC000338507771	327005003	/nfs/dbraw/zinc/00/50/03/327005003.db2.gz	DXJKVPHQBADTSG-IUCAKERBSA-N	-1	0	255.412	2.839	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2CC[C@@H](C)C2)s1	ZINC000338507972	327005037	/nfs/dbraw/zinc/00/50/37/327005037.db2.gz	DXJKVPHQBADTSG-RKDXNWHRSA-N	-1	0	255.412	2.839	20	30		CFEDRM
N#CCc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1	ZINC000313439264	327130564	/nfs/dbraw/zinc/13/05/64/327130564.db2.gz	QQBQUNMFLKJIHY-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000566415158	327352109	/nfs/dbraw/zinc/35/21/09/327352109.db2.gz	XSQSQQFWPWNGEK-GFCCVEGCSA-N	-1	0	296.392	2.919	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccc(Cl)cn2)s1	ZINC000562141381	327452418	/nfs/dbraw/zinc/45/24/18/327452418.db2.gz	UIMBLDLJGJSDTD-UHFFFAOYSA-N	-1	0	298.824	2.899	20	30		CFEDRM
C=CCN=c1[n-]c(C(F)(F)F)c(Br)s1	ZINC000418807817	329564359	/nfs/dbraw/zinc/56/43/59/329564359.db2.gz	KGFHFXJZXCGDRD-UHFFFAOYSA-N	-1	0	287.104	2.944	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1N=c1nc(C2CCCC2)[n-]s1	ZINC000420636407	329780466	/nfs/dbraw/zinc/78/04/66/329780466.db2.gz	MHWPBFXUOUHWRC-NEPJUHHUSA-N	-1	0	279.409	2.763	20	30		CFEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1	ZINC000262567316	330021500	/nfs/dbraw/zinc/02/15/00/330021500.db2.gz	BSKSBGUUNCFJKE-UHFFFAOYSA-N	-1	0	291.372	2.854	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000262796394	330031981	/nfs/dbraw/zinc/03/19/81/330031981.db2.gz	CFWVGGIXMGRQAS-HIFRSBDPSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000262879449	330036117	/nfs/dbraw/zinc/03/61/17/330036117.db2.gz	KKPWBRHNECDMNR-CQSZACIVSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-]	ZINC000262898665	330036267	/nfs/dbraw/zinc/03/62/67/330036267.db2.gz	MCJLWKZLSYLNFN-CYBMUJFWSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000262927269	330037221	/nfs/dbraw/zinc/03/72/21/330037221.db2.gz	ONJNHCZAGYPTIS-AWEZNQCLSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)C(=O)[O-]	ZINC000262938197	330037427	/nfs/dbraw/zinc/03/74/27/330037427.db2.gz	PPZGPALWNHOPPU-TUAOUCFPSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000262955987	330037647	/nfs/dbraw/zinc/03/76/47/330037647.db2.gz	RFXXOKPEHYELRF-NSHDSACASA-N	-1	0	279.336	2.554	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000263137510	330045408	/nfs/dbraw/zinc/04/54/08/330045408.db2.gz	HXHGGUPPRMZKRB-GZBFAFLISA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)[O-]	ZINC000263201283	330048777	/nfs/dbraw/zinc/04/87/77/330048777.db2.gz	MKDRXLPMUGLCHI-CYBMUJFWSA-N	-1	0	290.363	2.528	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263333400	330052517	/nfs/dbraw/zinc/05/25/17/330052517.db2.gz	QJJIAQDXRAEPQP-RYUDHWBXSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000263340823	330052692	/nfs/dbraw/zinc/05/26/92/330052692.db2.gz	RXJZPQSFVVDNKZ-GFCCVEGCSA-N	-1	0	291.347	2.796	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000263509868	330058477	/nfs/dbraw/zinc/05/84/77/330058477.db2.gz	CALZGWPNYISJKX-NSHDSACASA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(CC)CCCCC1)C(=O)[O-]	ZINC000263526181	330058952	/nfs/dbraw/zinc/05/89/52/330058952.db2.gz	JXTGLICKBZYICI-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000263537099	330059163	/nfs/dbraw/zinc/05/91/63/330059163.db2.gz	PBRAXHJAEJKDFA-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000263551315	330059418	/nfs/dbraw/zinc/05/94/18/330059418.db2.gz	WOPNTZWQZOELBJ-LBPRGKRZSA-N	-1	0	291.347	2.625	20	30		CFEDRM
N#CC1CCC(CN=c2[n-]nc(C3CC3)s2)CC1	ZINC000440643977	330753375	/nfs/dbraw/zinc/75/33/75/330753375.db2.gz	NVSHONSLYVJOOS-UHFFFAOYSA-N	-1	0	262.382	2.579	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000164024107	331153017	/nfs/dbraw/zinc/15/30/17/331153017.db2.gz	NNMLAPLHGXENGQ-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C#C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1	ZINC000491701464	332295682	/nfs/dbraw/zinc/29/56/82/332295682.db2.gz	WSBNYERPVLOZNP-VIFPVBQESA-N	-1	0	261.630	2.693	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C(F)F)n1	ZINC000549918997	334208548	/nfs/dbraw/zinc/20/85/48/334208548.db2.gz	DGPQZFYQDBDHFA-ZETCQYMHSA-N	-1	0	296.302	2.613	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c(C)o1	ZINC000551816677	334263043	/nfs/dbraw/zinc/26/30/43/334263043.db2.gz	LNNJXAMFIYAFAG-NSHDSACASA-N	-1	0	294.314	2.966	20	30		CFEDRM
N#CC(=C([O-])c1ncoc1C1CC1)c1nc2ccccc2[nH]1	ZINC000551925986	334266398	/nfs/dbraw/zinc/26/63/98/334266398.db2.gz	JLXBGGOVVYMOTG-JTQLQIEISA-N	-1	0	292.298	2.918	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(CCC)CCC)C(=O)[O-]	ZINC000262874722	334576297	/nfs/dbraw/zinc/57/62/97/334576297.db2.gz	JZUJAZPPHHJRPU-GFCCVEGCSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(C(C)(C)C)no1	ZINC000566538875	334654638	/nfs/dbraw/zinc/65/46/38/334654638.db2.gz	MUNAJMMWTNEUBL-UHFFFAOYSA-N	-1	0	272.370	2.680	20	30		CFEDRM
C=CCOCCCN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000576479294	335210041	/nfs/dbraw/zinc/21/00/41/335210041.db2.gz	FEWROWYFNGXWOZ-AWEZNQCLSA-N	-1	0	275.348	2.658	20	30		CFEDRM
Cc1cc(C#N)nc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243323131	782137152	/nfs/dbraw/zinc/13/71/52/782137152.db2.gz	PTECWFGFXHOFMF-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243327338	782139857	/nfs/dbraw/zinc/13/98/57/782139857.db2.gz	PTALACYPVWHWIJ-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
COc1nc(-c2ccc([O-])c(F)c2F)c(F)cc1C#N	ZINC001243340800	782144203	/nfs/dbraw/zinc/14/42/03/782144203.db2.gz	VNEFPINXRFXDGP-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc([O-])c(F)c1F	ZINC001243343033	782149110	/nfs/dbraw/zinc/14/91/10/782149110.db2.gz	OWCOMTCTVCPMSI-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1c(C(=O)N=c2[n-]n(C(C)C)cc2C#N)ccn1C(C)C	ZINC000410539077	533773765	/nfs/dbraw/zinc/77/37/65/533773765.db2.gz	IWSLFCKSLFCUJO-UHFFFAOYSA-N	-1	0	299.378	2.701	20	30		CFEDRM
CSCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354455893	533843118	/nfs/dbraw/zinc/84/31/18/533843118.db2.gz	BNUWQLWXOMKBHP-CYBMUJFWSA-N	-1	0	283.356	2.830	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000094703526	519211466	/nfs/dbraw/zinc/21/14/66/519211466.db2.gz	AXEXNYAFQSPWGJ-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
CCCN(CC(=O)[O-])c1cccc(Br)c1C#N	ZINC000168375184	521563248	/nfs/dbraw/zinc/56/32/48/521563248.db2.gz	HYRLZLHQWGODNJ-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
C[C@@H](CC(C)(C)C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000361861662	524405478	/nfs/dbraw/zinc/40/54/78/524405478.db2.gz	FGCWGRDJOXLBPX-NSHDSACASA-N	-1	0	290.411	2.942	20	30		CFEDRM
Cc1cc(F)cc2c1ncc(C#N)c2NCCCC(=O)[O-]	ZINC000263376401	524959884	/nfs/dbraw/zinc/95/98/84/524959884.db2.gz	BNGHFGNNWWYTJZ-UHFFFAOYSA-N	-1	0	287.294	2.831	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1	ZINC000336399737	525866349	/nfs/dbraw/zinc/86/63/49/525866349.db2.gz	SYDNBOQPOWWFTD-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000124580613	526561524	/nfs/dbraw/zinc/56/15/24/526561524.db2.gz	BZRBHXBVJJOPSA-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
N#Cc1ccccc1/C=C/c1ncc(C(=O)[O-])s1	ZINC000339407933	526735807	/nfs/dbraw/zinc/73/58/07/526735807.db2.gz	QZGHMDLAPZDSMM-AATRIKPKSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])o2)c1	ZINC000192925115	526919136	/nfs/dbraw/zinc/91/91/36/526919136.db2.gz	PPSHLKRABZYWPJ-UHFFFAOYSA-N	-1	0	287.271	2.795	20	30		CFEDRM
CC(C)C[C@@H](CNc1c(C#N)nnc2ccccc21)C(=O)[O-]	ZINC000424379962	528330579	/nfs/dbraw/zinc/33/05/79/528330579.db2.gz	WJHDZBSCWOXFCW-NSHDSACASA-N	-1	0	298.346	2.660	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000334746042	529352471	/nfs/dbraw/zinc/35/24/71/529352471.db2.gz	BGWKVHMQKQTBCU-GFCCVEGCSA-N	-1	0	254.236	2.549	20	30		CFEDRM
N#Cc1ccc(Oc2cccc(NCC(=O)[O-])c2)cc1	ZINC000738434755	574050691	/nfs/dbraw/zinc/05/06/91/574050691.db2.gz	NUQVFWGPYFZIKC-UHFFFAOYSA-N	-1	0	268.272	2.847	20	30		CFEDRM
Cc1cccc2[nH]c([C@H](C#N)C(=O)C3=COCCC3)nc21	ZINC000744159345	574057105	/nfs/dbraw/zinc/05/71/05/574057105.db2.gz	BTQSFRXSRXZKBW-GFCCVEGCSA-N	-1	0	281.315	2.742	20	30		CFEDRM
N#CCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000744555807	574080306	/nfs/dbraw/zinc/08/03/06/574080306.db2.gz	VUDJBJHMLZZAAF-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
CCC(CC)NN=Cc1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000736899292	574085411	/nfs/dbraw/zinc/08/54/11/574085411.db2.gz	HERDQHUXQJYLJL-UHFFFAOYSA-N	-1	0	292.379	2.879	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000730589429	574089590	/nfs/dbraw/zinc/08/95/90/574089590.db2.gz	IKNGCBONBOLNHM-ARJAWSKDSA-N	-1	0	277.301	2.947	20	30		CFEDRM
COc1cccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738105189	574105674	/nfs/dbraw/zinc/10/56/74/574105674.db2.gz	AFUOEOYGUGKPGK-HNNXBMFYSA-N	-1	0	282.299	2.805	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cncc(F)c1	ZINC000737413563	574139048	/nfs/dbraw/zinc/13/90/48/574139048.db2.gz	FWAHGIJTKIKJAE-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cncc(F)c1	ZINC000737416115	574139439	/nfs/dbraw/zinc/13/94/39/574139439.db2.gz	LTQUBXVKNPBQKU-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
Cc1cc(C=NNC2CCCC2)cc(C)c1OCC(=O)[O-]	ZINC000738378827	574166375	/nfs/dbraw/zinc/16/63/75/574166375.db2.gz	KIMJVISJQVBLLN-UHFFFAOYSA-N	-1	0	290.363	2.633	20	30		CFEDRM
N#Cc1cnc(NCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000738435418	574169249	/nfs/dbraw/zinc/16/92/49/574169249.db2.gz	LPGNMVYCHJYGOY-UHFFFAOYSA-N	-1	0	287.706	2.917	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2c[nH]nc2c1	ZINC000755599439	574170625	/nfs/dbraw/zinc/17/06/25/574170625.db2.gz	BOKYLRGEJFEMBP-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000738491865	574171605	/nfs/dbraw/zinc/17/16/05/574171605.db2.gz	FZMMWHQPBOFNDM-UHFFFAOYSA-N	-1	0	297.742	2.670	20	30		CFEDRM
Cc1nc(Cl)cc(N=NCc2cc(C(=O)[O-])cs2)n1	ZINC000755743115	574183602	/nfs/dbraw/zinc/18/36/02/574183602.db2.gz	JRMSNBNRLNTDGS-UHFFFAOYSA-N	-1	0	296.739	2.644	20	30		CFEDRM
CC(C)N(CCCNc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000738847368	574187621	/nfs/dbraw/zinc/18/76/21/574187621.db2.gz	FPJQSFKFSJGRFL-UHFFFAOYSA-N	-1	0	296.758	2.797	20	30		CFEDRM
C[C@H](NN=C1CCC[C@H]1CNC(=O)[O-])c1ccccc1	ZINC000739040574	574194084	/nfs/dbraw/zinc/19/40/84/574194084.db2.gz	UHYRNQKNGVHIOQ-AAEUAGOBSA-N	-1	0	275.352	2.761	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2cccc(F)c2)C(=O)[O-])cc1	ZINC000739114966	574199204	/nfs/dbraw/zinc/19/92/04/574199204.db2.gz	MFHKXVBQGWWODD-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739118097	574199291	/nfs/dbraw/zinc/19/92/91/574199291.db2.gz	MGABTWDYLRDNAD-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1cccc(CNC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000739133538	574199479	/nfs/dbraw/zinc/19/94/79/574199479.db2.gz	JLTBQJXUPKGMLS-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1ccc(NCc2ccccc2OCC(=O)[O-])cc1	ZINC000739121907	574199691	/nfs/dbraw/zinc/19/96/91/574199691.db2.gz	ZADSKMVALYSFMV-UHFFFAOYSA-N	-1	0	282.299	2.634	20	30		CFEDRM
CCCCCCCC(=O)NC[C@@H]1CCCN1C(=O)[O-]	ZINC000739329332	574208427	/nfs/dbraw/zinc/20/84/27/574208427.db2.gz	HYSKDMIESJTFBQ-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)cc2)n1	ZINC000747736531	574208882	/nfs/dbraw/zinc/20/88/82/574208882.db2.gz	QNUCOOSQYFPBJY-OPRRYBFASA-N	-1	0	272.283	2.741	20	30		CFEDRM
N#Cc1ccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000748132983	574231352	/nfs/dbraw/zinc/23/13/52/574231352.db2.gz	IZIYJPLMQHOPJM-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2ccccc2F)cc1[O-]	ZINC000748133853	574231365	/nfs/dbraw/zinc/23/13/65/574231365.db2.gz	RXUBCMBWOIHYBG-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc(C(F)(F)F)n2)o1	ZINC000740123869	574237577	/nfs/dbraw/zinc/23/75/77/574237577.db2.gz	QWCQIQXUXKELDE-UHFFFAOYSA-N	-1	0	299.208	2.838	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCCC(F)(F)F)cc1	ZINC000740122423	574237745	/nfs/dbraw/zinc/23/77/45/574237745.db2.gz	COTYYFSTRISGIG-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
O=C([O-])c1occc1C=NNCCCc1ccccc1	ZINC000740280523	574245574	/nfs/dbraw/zinc/24/55/74/574245574.db2.gz	CFTLCRUZKOCCPA-UHFFFAOYSA-N	-1	0	272.304	2.534	20	30		CFEDRM
N#CCCCCOC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000740306926	574246056	/nfs/dbraw/zinc/24/60/56/574246056.db2.gz	MSLPSQGQQCFSER-UHFFFAOYSA-N	-1	0	280.255	2.766	20	30		CFEDRM
N#CCCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000740306152	574246216	/nfs/dbraw/zinc/24/62/16/574246216.db2.gz	DEWISLAFLOSVJD-XQQFMLRXSA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(NC(=O)[O-])cc2)CCCC1	ZINC000740310177	574246454	/nfs/dbraw/zinc/24/64/54/574246454.db2.gz	QNDONNFLRLZPIO-UHFFFAOYSA-N	-1	0	273.292	2.799	20	30		CFEDRM
N#CCCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000740308225	574246735	/nfs/dbraw/zinc/24/67/35/574246735.db2.gz	HPRYVNGCXPTMDM-OAHLLOKOSA-N	-1	0	287.363	2.545	20	30		CFEDRM
N#Cc1cccnc1N[C@@H](CNC(=O)[O-])C1CCCCC1	ZINC000740321700	574247326	/nfs/dbraw/zinc/24/73/26/574247326.db2.gz	GRJHWJRYJYTMJN-ZDUSSCGKSA-N	-1	0	288.351	2.582	20	30		CFEDRM
O=C([O-])N1CCC[C@H](CC/N=C/c2ccccc2O)C1	ZINC000740506008	574252633	/nfs/dbraw/zinc/25/26/33/574252633.db2.gz	CELRQSSFYYYJMU-HMHNVIDESA-N	-1	0	276.336	2.591	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O	ZINC000740521674	574253668	/nfs/dbraw/zinc/25/36/68/574253668.db2.gz	UELOEYQGUHMVJK-LFMVTYOGSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cnn3ccccc23)cs1	ZINC000730149309	574256057	/nfs/dbraw/zinc/25/60/57/574256057.db2.gz	FWRVZQONQUANJN-SNAWJCMRSA-N	-1	0	298.323	2.990	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)ccc1O	ZINC000740619729	574258642	/nfs/dbraw/zinc/25/86/42/574258642.db2.gz	IBPOJMSGIBTXPY-GFAGDUJQSA-N	-1	0	296.754	2.901	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C\c1ccccc1O	ZINC000740631066	574259470	/nfs/dbraw/zinc/25/94/70/574259470.db2.gz	WTUZHCVOXNHSEE-KKUNFNHNSA-N	-1	0	276.336	2.638	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1	ZINC000748671454	574262164	/nfs/dbraw/zinc/26/21/64/574262164.db2.gz	NNZYXNYYCGVDQA-UHFFFAOYSA-N	-1	0	292.385	2.542	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cncs1	ZINC000756901479	574271354	/nfs/dbraw/zinc/27/13/54/574271354.db2.gz	ROTWORFEQUKZMW-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1occc1C	ZINC000756901714	574271991	/nfs/dbraw/zinc/27/19/91/574271991.db2.gz	XYOUBMUHAFGQSG-UHFFFAOYSA-N	-1	0	274.276	2.741	20	30		CFEDRM
CCC(CC)NN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000734366358	574283905	/nfs/dbraw/zinc/28/39/05/574283905.db2.gz	ORRFGNOMYCNOCL-UHFFFAOYSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1	ZINC000739328177	574286102	/nfs/dbraw/zinc/28/61/02/574286102.db2.gz	CEWLRBAGMOAHBT-STQMWFEESA-N	-1	0	284.400	2.852	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnc(C)nc1C	ZINC000741462414	574291231	/nfs/dbraw/zinc/29/12/31/574291231.db2.gz	OPFVRVJFPISOHY-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000739400501	574306778	/nfs/dbraw/zinc/30/67/78/574306778.db2.gz	BUEQSVJFLFJPIP-VIFPVBQESA-N	-1	0	293.298	2.537	20	30		CFEDRM
C=CCCCn1ccc(-c2ccc(-c3nn[nH]n3)cc2)n1	ZINC000735412514	574322583	/nfs/dbraw/zinc/32/25/83/574322583.db2.gz	DZHHNUHGXGVUNG-UHFFFAOYSA-N	-1	0	280.335	2.696	20	30		CFEDRM
C=CCCCNc1ccc(Cl)c(-c2nn[nH]n2)c1	ZINC000735413534	574322842	/nfs/dbraw/zinc/32/28/42/574322842.db2.gz	WNKMRXBXPRJBRL-UHFFFAOYSA-N	-1	0	263.732	2.898	20	30		CFEDRM
C=CCCCSCCOc1cccc(-c2nn[nH]n2)c1	ZINC000735412818	574322949	/nfs/dbraw/zinc/32/29/49/574322949.db2.gz	LIJDTNUSJJVSJC-UHFFFAOYSA-N	-1	0	290.392	2.945	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C[C@H]1CC=CCC1	ZINC000725857647	574333526	/nfs/dbraw/zinc/33/35/26/574333526.db2.gz	AKGIBCWWUVDKSN-NSHDSACASA-N	-1	0	285.372	2.875	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2ccc(F)cc2[O-])c1	ZINC000750537708	574347098	/nfs/dbraw/zinc/34/70/98/574347098.db2.gz	RYTFBZZFKREFBM-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
C#CCOc1ccccc1OC(=O)c1cccc(C(=O)[O-])c1	ZINC000736088004	574350364	/nfs/dbraw/zinc/35/03/64/574350364.db2.gz	QBYCVFJQCFYNNZ-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000736102452	574350411	/nfs/dbraw/zinc/35/04/11/574350411.db2.gz	IHMRNLDJXLFTFS-SECBINFHSA-N	-1	0	283.349	2.674	20	30		CFEDRM
C#CCOc1cccc(OCc2ccc(C(=O)[O-])o2)c1	ZINC000736087216	574350467	/nfs/dbraw/zinc/35/04/67/574350467.db2.gz	DWYORHKCTLBMSA-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C=C(C)CNC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000736094602	574350632	/nfs/dbraw/zinc/35/06/32/574350632.db2.gz	OZXSQTXKMFLQQQ-LLVKDONJSA-N	-1	0	290.388	2.516	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000736094632	574350812	/nfs/dbraw/zinc/35/08/12/574350812.db2.gz	PQSUULKHXCBLFH-UHFFFAOYSA-N	-1	0	264.350	2.556	20	30		CFEDRM
C=CCCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000736098227	574351095	/nfs/dbraw/zinc/35/10/95/574351095.db2.gz	WZWCLBMJCZKSPM-CLFYSBASSA-N	-1	0	276.288	2.665	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736096383	574351180	/nfs/dbraw/zinc/35/11/80/574351180.db2.gz	MNORIRMMXQKFAE-NSHDSACASA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CCCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1	ZINC000736098241	574351287	/nfs/dbraw/zinc/35/12/87/574351287.db2.gz	XWXGSVBLQGCGAY-UHFFFAOYSA-N	-1	0	291.332	2.741	20	30		CFEDRM
C=CCCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-]	ZINC000736097065	574351319	/nfs/dbraw/zinc/35/13/19/574351319.db2.gz	WBCCWQODKZGBCN-ZDUSSCGKSA-N	-1	0	261.321	2.849	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccco3)nc1-2	ZINC000750724611	574352788	/nfs/dbraw/zinc/35/27/88/574352788.db2.gz	OCILSZQLOSJDBG-ITKZLYELSA-N	-1	0	292.298	2.749	20	30		CFEDRM
N#CCc1cccc(C(=O)Oc2ccccc2CC(=O)[O-])c1	ZINC000739091974	574354886	/nfs/dbraw/zinc/35/48/86/574354886.db2.gz	OTLMRURYEJYMLY-UHFFFAOYSA-N	-1	0	295.294	2.599	20	30		CFEDRM
COc1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000750923551	574363426	/nfs/dbraw/zinc/36/34/26/574363426.db2.gz	ZQHCXWJXKUZNRW-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736355657	574364426	/nfs/dbraw/zinc/36/44/26/574364426.db2.gz	RLAFNWRQMFZNMN-MFKMUULPSA-N	-1	0	275.304	2.519	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc3c(c2)CCO3)c1	ZINC000750949768	574365173	/nfs/dbraw/zinc/36/51/73/574365173.db2.gz	IWOHTUBQWJQNTR-YVLHZVERSA-N	-1	0	298.298	2.854	20	30		CFEDRM
COc1cccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000751135377	574369886	/nfs/dbraw/zinc/36/98/86/574369886.db2.gz	WUISLWWBAURXGA-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccnc2C2CC2)c1	ZINC000752679381	574393518	/nfs/dbraw/zinc/39/35/18/574393518.db2.gz	IUSHIJBDEGNVIG-UHFFFAOYSA-N	-1	0	279.299	2.789	20	30		CFEDRM
C[C@@H](NC(=S)NN=Cc1cccc(Cl)c1[O-])C1CC1	ZINC000753166277	574399674	/nfs/dbraw/zinc/39/96/74/574399674.db2.gz	FEVVGFXLKXIIIC-MRVPVSSYSA-N	-1	0	297.811	2.642	20	30		CFEDRM
CCN(Cc1cc(C(=O)[O-])sc1C)C[C@@H](C)C#N	ZINC000155970382	601620670	/nfs/dbraw/zinc/62/06/70/601620670.db2.gz	PLWWIYJNEBBNCJ-VIFPVBQESA-N	-1	0	266.366	2.736	20	30		CFEDRM
N#Cc1cccc(CNc2cccc(CC(=O)[O-])c2)c1	ZINC000819106533	597139581	/nfs/dbraw/zinc/13/95/81/597139581.db2.gz	XJCZUBWWRMSOIM-UHFFFAOYSA-N	-1	0	266.300	2.797	20	30		CFEDRM
N#Cc1ccc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000526855310	597288655	/nfs/dbraw/zinc/28/86/55/597288655.db2.gz	AQHIENDCZQGHIB-NRFANRHFSA-N	-1	0	299.351	2.705	20	30		CFEDRM
Cc1nc(C)c(C#N)c(SCc2ccc(C(=O)[O-])cc2)n1	ZINC000818990659	597302232	/nfs/dbraw/zinc/30/22/32/597302232.db2.gz	JRQRULRWULVJCS-UHFFFAOYSA-N	-1	0	299.355	2.956	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000053200741	597340957	/nfs/dbraw/zinc/34/09/57/597340957.db2.gz	STWRFCAGPAGHMX-UHFFFAOYSA-N	-1	0	274.320	2.520	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(F)c1Cl	ZINC000819875525	597607655	/nfs/dbraw/zinc/60/76/55/597607655.db2.gz	YHEYBSMNBTZGJU-CYBMUJFWSA-N	-1	0	299.685	2.527	20	30		CFEDRM
CSc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1C	ZINC000820909839	597609749	/nfs/dbraw/zinc/60/97/49/597609749.db2.gz	DQRKDBAHEITYHT-AWEZNQCLSA-N	-1	0	292.360	2.660	20	30		CFEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(F)ccc1F	ZINC000820160906	597611420	/nfs/dbraw/zinc/61/14/20/597611420.db2.gz	KOXBDIMPSRKALJ-CLAHSXSESA-N	-1	0	297.257	2.574	20	30		CFEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1F	ZINC000820161856	597623625	/nfs/dbraw/zinc/62/36/25/597623625.db2.gz	SULFFQXUDLGXRL-XLKFXECMSA-N	-1	0	297.257	2.574	20	30		CFEDRM
CC(=NNCCC(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000819726826	597739827	/nfs/dbraw/zinc/73/98/27/597739827.db2.gz	SKTVWSBKCTYCAZ-UHFFFAOYSA-N	-1	0	264.369	2.643	20	30		CFEDRM
CC(=NNCCC(=O)[O-])c1cc(Cl)sc1Cl	ZINC000819726845	597742141	/nfs/dbraw/zinc/74/21/41/597742141.db2.gz	UCYIUGMCBUTTCN-UHFFFAOYSA-N	-1	0	281.164	2.843	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2nncc3ccccc32)CC1	ZINC000814706276	598095172	/nfs/dbraw/zinc/09/51/72/598095172.db2.gz	WGYFFIXGIVHFMF-UHFFFAOYSA-N	-1	0	284.319	2.673	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000820602172	598136616	/nfs/dbraw/zinc/13/66/16/598136616.db2.gz	KUHTTXBZXVDMMJ-UHFFFAOYSA-N	-1	0	294.310	2.529	20	30		CFEDRM
COc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000820814958	598155274	/nfs/dbraw/zinc/15/52/74/598155274.db2.gz	MOTSALJYHDAPFY-UHFFFAOYSA-N	-1	0	296.282	2.517	20	30		CFEDRM
N#CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000821324535	598155296	/nfs/dbraw/zinc/15/52/96/598155296.db2.gz	JAYAKVKAXUOCQW-UHFFFAOYSA-N	-1	0	280.283	2.555	20	30		CFEDRM
N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)s1	ZINC000161122467	598219682	/nfs/dbraw/zinc/21/96/82/598219682.db2.gz	JWTPPUDUCBISOI-ZDUSSCGKSA-N	-1	0	272.329	2.535	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2ccccc2c1	ZINC000819856236	598221582	/nfs/dbraw/zinc/22/15/82/598221582.db2.gz	HWZQZBNQLBZTAT-MRXNPFEDSA-N	-1	0	282.299	2.783	20	30		CFEDRM
Cc1ccc(Cl)cc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821083385	598221982	/nfs/dbraw/zinc/22/19/82/598221982.db2.gz	DEZGVCYFIAOEQN-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc2ccccc2c1	ZINC000820517441	598222518	/nfs/dbraw/zinc/22/25/18/598222518.db2.gz	HRZXWOUDYGHYHG-KRWDZBQOSA-N	-1	0	296.326	2.807	20	30		CFEDRM
C[C@@H](CCC1CCCCC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095484	598227677	/nfs/dbraw/zinc/22/76/77/598227677.db2.gz	FHKGRHINCKKXNM-BLLLJJGKSA-N	-1	0	294.395	2.856	20	30		CFEDRM
CCSc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820405420	598227759	/nfs/dbraw/zinc/22/77/59/598227759.db2.gz	KYLOIGUQKCBBBI-CQSZACIVSA-N	-1	0	292.360	2.742	20	30		CFEDRM
CC(C)(C)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819811366	598227884	/nfs/dbraw/zinc/22/78/84/598227884.db2.gz	NHGIUBRRFRUOLP-MLGOLLRUSA-N	-1	0	294.395	2.666	20	30		CFEDRM
Cc1cccc([C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821107219	598228321	/nfs/dbraw/zinc/22/83/21/598228321.db2.gz	OLCUGLWBNRXSPG-IAQYHMDHSA-N	-1	0	275.304	2.604	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000054399512	599810548	/nfs/dbraw/zinc/81/05/48/599810548.db2.gz	CPGXQBVZMARNCN-UHFFFAOYSA-N	-1	0	253.685	2.943	20	30		CFEDRM
C=C1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000382556968	599854376	/nfs/dbraw/zinc/85/43/76/599854376.db2.gz	LXWCKRQKWZBQKM-HYXAFXHYSA-N	-1	0	288.303	2.849	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1cnc2ccccc2n1	ZINC000727256905	600055567	/nfs/dbraw/zinc/05/55/67/600055567.db2.gz	ZBVQBYGCESHYFK-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000042461945	600120461	/nfs/dbraw/zinc/12/04/61/600120461.db2.gz	MSRFBZXPBVOJSZ-QMMMGPOBSA-N	-1	0	295.726	2.662	20	30		CFEDRM
COc1cccc(/C=N/[C@@H](Cc2ccccc2)C(=O)[O-])c1O	ZINC000738096595	600153608	/nfs/dbraw/zinc/15/36/08/600153608.db2.gz	QOVMZWPBVSAJEV-BGARDKSCSA-N	-1	0	299.326	2.516	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000042462044	600516413	/nfs/dbraw/zinc/51/64/13/600516413.db2.gz	PMOLBKRNIWCYDI-MRVPVSSYSA-N	-1	0	295.726	2.662	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1ccc(F)cc1C#N	ZINC000090097243	600583978	/nfs/dbraw/zinc/58/39/78/600583978.db2.gz	OYPRWXWGILHVLH-QMMMGPOBSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000178251652	600625030	/nfs/dbraw/zinc/62/50/30/600625030.db2.gz	DKZAYPISUAFWDN-SECBINFHSA-N	-1	0	297.738	2.958	20	30		CFEDRM
N#Cc1c(F)cccc1NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000080956016	600670328	/nfs/dbraw/zinc/67/03/28/600670328.db2.gz	TXQGWIBFWIYXNM-CYBMUJFWSA-N	-1	0	284.290	2.978	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2ccc(Cl)nc2)c1	ZINC000833322081	600724726	/nfs/dbraw/zinc/72/47/26/600724726.db2.gz	VIVCCKZAIOERDV-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
CCCC[C@@H](Sc1ccc(C#N)cn1)C(=O)[O-]	ZINC000829295803	600837125	/nfs/dbraw/zinc/83/71/25/600837125.db2.gz	KMACRUNOWWUVMI-SNVBAGLBSA-N	-1	0	250.323	2.689	20	30		CFEDRM
C#Cc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000094704759	601001361	/nfs/dbraw/zinc/00/13/61/601001361.db2.gz	SUDIEFKAWIYDAS-CYBMUJFWSA-N	-1	0	288.347	2.536	20	30		CFEDRM
N#Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833074153	601060398	/nfs/dbraw/zinc/06/03/98/601060398.db2.gz	QCCMXNARBGVCCD-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000061984404	601111541	/nfs/dbraw/zinc/11/15/41/601111541.db2.gz	GUXJTJWFFIKLBU-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000827833472	601132950	/nfs/dbraw/zinc/13/29/50/601132950.db2.gz	JCWNRZPFULATQE-NSHDSACASA-N	-1	0	290.319	2.552	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(=O)[O-])cc1	ZINC000833072672	601175891	/nfs/dbraw/zinc/17/58/91/601175891.db2.gz	OUIKIIJBLYIZOQ-CBBWQLFWSA-N	-1	0	299.326	2.663	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000829693124	601192199	/nfs/dbraw/zinc/19/21/99/601192199.db2.gz	WCCAIDXIVSPXMS-UHFFFAOYSA-N	-1	0	276.296	2.544	20	30		CFEDRM
C#CC[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000825600247	601194518	/nfs/dbraw/zinc/19/45/18/601194518.db2.gz	BWVVNWJGUXJPFJ-HNNXBMFYSA-N	-1	0	288.343	2.909	20	30		CFEDRM
O=C([O-])Nc1cc(NC(=O)C#Cc2ccccc2)ccc1F	ZINC000833284557	601199978	/nfs/dbraw/zinc/19/99/78/601199978.db2.gz	VTLSBWBKKMHFMD-UHFFFAOYSA-N	-1	0	298.273	2.906	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000126769213	601269499	/nfs/dbraw/zinc/26/94/99/601269499.db2.gz	OUNCMBGPRAPWLQ-VHSXEESVSA-N	-1	0	290.294	2.527	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(C#N)c1	ZINC000832914827	601271378	/nfs/dbraw/zinc/27/13/78/601271378.db2.gz	BPWIJLJDROTCEL-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
CN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830856170	601309476	/nfs/dbraw/zinc/30/94/76/601309476.db2.gz	JHMZNJIYESJQOC-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
Cc1ccc2c(c1)C/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832962034	601331824	/nfs/dbraw/zinc/33/18/24/601331824.db2.gz	ORQDQIAWDMPVIE-DHZHZOJOSA-N	-1	0	267.284	2.844	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccc(F)cc3C2=O)[nH]1	ZINC000833312136	601332722	/nfs/dbraw/zinc/33/27/22/601332722.db2.gz	KFIQWBWCIBNZBY-TWGQIWQCSA-N	-1	0	271.247	2.674	20	30		CFEDRM
N#Cc1ccc2c(c1)CC/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000833073878	601332825	/nfs/dbraw/zinc/33/28/25/601332825.db2.gz	JIZQGZLQUDSECN-WQLSENKSSA-N	-1	0	292.294	2.797	20	30		CFEDRM
Cc1cc(C)cc(NN=Cc2ccc(C(=O)[O-])[nH]2)c1	ZINC000832879054	601336566	/nfs/dbraw/zinc/33/65/66/601336566.db2.gz	PVWOKHODIAQXRI-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)c2ccc(F)cc2)C(=O)[O-])c1	ZINC000833077183	601344818	/nfs/dbraw/zinc/34/48/18/601344818.db2.gz	MIIMFOMWELKCRK-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
CC(F)(F)CCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000827603193	601349104	/nfs/dbraw/zinc/34/91/04/601349104.db2.gz	HZJZYKMRNHLIHY-LBPRGKRZSA-N	-1	0	297.257	2.663	20	30		CFEDRM
C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000827392121	601350873	/nfs/dbraw/zinc/35/08/73/601350873.db2.gz	SOWHFYKUXWHBEU-ZUZCIYMTSA-N	-1	0	287.315	2.663	20	30		CFEDRM
N#CC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCCC1	ZINC000833065076	601403636	/nfs/dbraw/zinc/40/36/36/601403636.db2.gz	RHBZLJGJGWQROA-UHFFFAOYSA-N	-1	0	283.287	2.770	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccccc3C2=O)[nH]1	ZINC000833311912	601444787	/nfs/dbraw/zinc/44/47/87/601444787.db2.gz	FMSTVMURQVQFMV-CSKARUKUSA-N	-1	0	253.257	2.535	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3cc(O)ccc3C2=O)[nH]1	ZINC000833312891	601446044	/nfs/dbraw/zinc/44/60/44/601446044.db2.gz	ZGROTTNISKPADB-JXMROGBWSA-N	-1	0	283.283	2.631	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000825671555	601451564	/nfs/dbraw/zinc/45/15/64/601451564.db2.gz	SVYSAXPLYDIXKJ-UHFFFAOYSA-N	-1	0	293.319	2.697	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)CCC2CCC2)C(=O)[O-])cc1	ZINC000833072799	601469467	/nfs/dbraw/zinc/46/94/67/601469467.db2.gz	QFTRPKYELNLIGX-OAHLLOKOSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)s1	ZINC000833072275	601469488	/nfs/dbraw/zinc/46/94/88/601469488.db2.gz	QSCVMZKOBFKLGT-LBPRGKRZSA-N	-1	0	287.296	2.602	20	30		CFEDRM
C=CCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000825671139	601483506	/nfs/dbraw/zinc/48/35/06/601483506.db2.gz	DQWBLLJRAIKDNY-OAHLLOKOSA-N	-1	0	273.332	2.553	20	30		CFEDRM
Cc1cc(NC(=O)c2cc(C#N)cs2)sc1C(=O)[O-]	ZINC000832896146	601530496	/nfs/dbraw/zinc/53/04/96/601530496.db2.gz	JRSYVEFEBDLOOZ-UHFFFAOYSA-N	-1	0	292.341	2.940	20	30		CFEDRM
C=C[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825659771	601680510	/nfs/dbraw/zinc/68/05/10/601680510.db2.gz	DKUXRNCUNINUFF-IWGCBNPKSA-N	-1	0	262.265	2.679	20	30		CFEDRM
C=C[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000825660184	601680718	/nfs/dbraw/zinc/68/07/18/601680718.db2.gz	ZICACVPWIKUEFL-LURJTMIESA-N	-1	0	277.349	2.993	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000833072366	601703439	/nfs/dbraw/zinc/70/34/39/601703439.db2.gz	SIVRXHYGKDSBBD-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
Cc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832963750	601791104	/nfs/dbraw/zinc/79/11/04/601791104.db2.gz	LVKOSEPLEUQYGL-AATRIKPKSA-N	-1	0	255.273	2.917	20	30		CFEDRM
Cc1ccccc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832975921	601791256	/nfs/dbraw/zinc/79/12/56/601791256.db2.gz	BYRLJBYIRVWOCV-VOTSOKGWSA-N	-1	0	255.273	2.917	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C/c2ccoc2C(=O)[O-])c1	ZINC000832419600	601825379	/nfs/dbraw/zinc/82/53/79/601825379.db2.gz	QNZNTMAFBSJMMB-DUXPYHPUSA-N	-1	0	288.255	2.588	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000038609375	601825437	/nfs/dbraw/zinc/82/54/37/601825437.db2.gz	BYMGJBAITWGMAJ-XBXARRHUSA-N	-1	0	298.294	2.995	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])s2)cc1	ZINC000103926025	601848688	/nfs/dbraw/zinc/84/86/88/601848688.db2.gz	BHAFXPJYHBKIMQ-UHFFFAOYSA-N	-1	0	259.286	2.897	20	30		CFEDRM
COc1cccc2c1C/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832573662	601851807	/nfs/dbraw/zinc/85/18/07/601851807.db2.gz	ZUYRPPBZUNKZQP-BJMVGYQFSA-N	-1	0	283.283	2.544	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1	ZINC000828156495	601853402	/nfs/dbraw/zinc/85/34/02/601853402.db2.gz	LVQJOZIFSIXGHX-UHFFFAOYSA-N	-1	0	292.722	2.917	20	30		CFEDRM
N#Cc1nc(Nc2cccc(CC(=O)[O-])c2)ccc1Cl	ZINC000833078161	602010538	/nfs/dbraw/zinc/01/05/38/602010538.db2.gz	DYZXOYQRGOUHJN-UHFFFAOYSA-N	-1	0	287.706	2.977	20	30		CFEDRM
CN(CC#N)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000830661069	602038587	/nfs/dbraw/zinc/03/85/87/602038587.db2.gz	OQPZDEIRIHHYLR-SNVBAGLBSA-N	-1	0	273.119	2.574	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1[O-]	ZINC000935696946	649930130	/nfs/dbraw/zinc/93/01/30/649930130.db2.gz	IFKIATZBHLOFHI-SNVBAGLBSA-N	-1	0	267.275	2.851	20	30		CFEDRM
CCCC[C@H](Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000829296127	602097867	/nfs/dbraw/zinc/09/78/67/602097867.db2.gz	OEZWYSISNBJOCQ-LBPRGKRZSA-N	-1	0	280.299	2.783	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1ncnc2ccsc21	ZINC000764835458	602185045	/nfs/dbraw/zinc/18/50/45/602185045.db2.gz	MSJPWQGTMRTPEN-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
C[C@@H](CN(Cc1ccccc1)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000827456476	602237360	/nfs/dbraw/zinc/23/73/60/602237360.db2.gz	XFLITFRZCDLOEL-ZDUSSCGKSA-N	-1	0	295.342	2.681	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(C)c1ncc(C(=O)[O-])s1	ZINC000825660049	602340305	/nfs/dbraw/zinc/34/03/05/602340305.db2.gz	OQZKYCLXZKBTNR-UHFFFAOYSA-N	-1	0	280.349	2.573	20	30		CFEDRM
C[C@@H](C#N)CNC(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000738601083	602440522	/nfs/dbraw/zinc/44/05/22/602440522.db2.gz	KNCKLCXYTRQQHY-JTQLQIEISA-N	-1	0	297.314	2.819	20	30		CFEDRM
C[C@H](C#N)CNC(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000738601088	602440605	/nfs/dbraw/zinc/44/06/05/602440605.db2.gz	KNCKLCXYTRQQHY-SNVBAGLBSA-N	-1	0	297.314	2.819	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-]	ZINC000826819890	603163777	/nfs/dbraw/zinc/16/37/77/603163777.db2.gz	HLULBRDXIGGSGB-CYBMUJFWSA-N	-1	0	284.400	2.948	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2cccc(F)c2)cn1	ZINC000832840949	603487974	/nfs/dbraw/zinc/48/79/74/603487974.db2.gz	NXEYTVJRVJVKNH-UHFFFAOYSA-N	-1	0	274.255	2.757	20	30		CFEDRM
CC(C)[C@@H](C#N)OC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000824057210	603584761	/nfs/dbraw/zinc/58/47/61/603584761.db2.gz	POXHSSFSCQLLSL-LLVKDONJSA-N	-1	0	280.255	2.621	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900322338	620661787	/nfs/dbraw/zinc/66/17/87/620661787.db2.gz	KVIHRTVQMXIUPB-CYBMUJFWSA-N	-1	0	276.336	2.790	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000831161598	603738096	/nfs/dbraw/zinc/73/80/96/603738096.db2.gz	GBWZJMAYZSNLCR-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C#CCN(C(=O)c1cccc(NC(=O)[O-])c1)C1CCCC1	ZINC000823451446	603759217	/nfs/dbraw/zinc/75/92/17/603759217.db2.gz	VNOSBTRELYSVNT-UHFFFAOYSA-N	-1	0	286.331	2.795	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](CCCCC)C(=O)[O-])cc1	ZINC000900355439	620663822	/nfs/dbraw/zinc/66/38/22/620663822.db2.gz	MYIDKJLKQGCNDW-AWEZNQCLSA-N	-1	0	288.347	2.823	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc1	ZINC000900355048	620664009	/nfs/dbraw/zinc/66/40/09/620664009.db2.gz	GRSXZIGMFILJQU-FZMZJTMJSA-N	-1	0	288.347	2.679	20	30		CFEDRM
Cc1ccnc(N=NCc2cccc3c2N(C(=O)[O-])CC3)c1	ZINC000830612211	603822783	/nfs/dbraw/zinc/82/27/83/603822783.db2.gz	WNBFONZIJOJBPQ-UHFFFAOYSA-N	-1	0	296.330	2.877	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490731	604046707	/nfs/dbraw/zinc/04/67/07/604046707.db2.gz	KJHSPWXLPGTAFD-JSGCOSHPSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C[C@@H](OC(=O)CC(C)(C)NC(=O)[O-])c1ccc(C#N)cc1	ZINC000825571630	604049142	/nfs/dbraw/zinc/04/91/42/604049142.db2.gz	PMQJJWYKPVEPAK-SNVBAGLBSA-N	-1	0	290.319	2.599	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000825280581	604053263	/nfs/dbraw/zinc/05/32/63/604053263.db2.gz	HRTRBHSBLOQKFI-QWRGUYRKSA-N	-1	0	291.326	2.570	20	30		CFEDRM
C=CCCCC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823496608	604153601	/nfs/dbraw/zinc/15/36/01/604153601.db2.gz	MURZOHCABIFJFZ-FOSCPWQOSA-N	-1	0	267.325	2.559	20	30		CFEDRM
CN(c1ccc(C#N)cc1)C1CCC(NC(=O)[O-])CC1	ZINC000828434696	604219267	/nfs/dbraw/zinc/21/92/67/604219267.db2.gz	JPMAMKJMIMSRNO-UHFFFAOYSA-N	-1	0	273.336	2.573	20	30		CFEDRM
C=C(C)COC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823480768	604225906	/nfs/dbraw/zinc/22/59/06/604225906.db2.gz	NTFBWMBXFJSXAG-DGCLKSJQSA-N	-1	0	277.320	2.751	20	30		CFEDRM
N#Cc1cccc(CC(=O)Nc2ccccc2NC(=O)[O-])c1	ZINC000831146672	604245132	/nfs/dbraw/zinc/24/51/32/604245132.db2.gz	WCHKKLLPMCYFOK-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823490615	604249301	/nfs/dbraw/zinc/24/93/01/604249301.db2.gz	HPUFJNFWPOXKLA-TZMCWYRMSA-N	-1	0	294.395	2.650	20	30		CFEDRM
CN(CCCC(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000830763410	604393986	/nfs/dbraw/zinc/39/39/86/604393986.db2.gz	PLTREPGEUGNZQO-UHFFFAOYSA-N	-1	0	295.726	2.540	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825660162	604517408	/nfs/dbraw/zinc/51/74/08/604517408.db2.gz	XZSQWTJNKHINGP-ZETCQYMHSA-N	-1	0	254.311	2.532	20	30		CFEDRM
C=C[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825653169	604521283	/nfs/dbraw/zinc/52/12/83/604521283.db2.gz	DOXCHVUXSQJSHH-YPMHNXCESA-N	-1	0	290.363	2.712	20	30		CFEDRM
Cc1ccc(C#N)c(NCCc2cccc(C(=O)[O-])c2)n1	ZINC000111404139	604548379	/nfs/dbraw/zinc/54/83/79/604548379.db2.gz	VIWRRUGAAKEDJU-UHFFFAOYSA-N	-1	0	281.315	2.615	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)OCC	ZINC000833367319	604565343	/nfs/dbraw/zinc/56/53/43/604565343.db2.gz	KKDJWQOWBVAQLZ-HIFRSBDPSA-N	-1	0	297.395	2.507	20	30		CFEDRM
CC1=C(C(=O)OCc2cccc(C(=O)[O-])c2C#N)CCC1	ZINC000833578346	604587528	/nfs/dbraw/zinc/58/75/28/604587528.db2.gz	GUZZNILRAIEVPR-UHFFFAOYSA-N	-1	0	285.299	2.800	20	30		CFEDRM
Cc1cc([C@@H](C)OC(=O)C2(C#N)CCC2)oc1C(=O)[O-]	ZINC000832878884	604590927	/nfs/dbraw/zinc/59/09/27/604590927.db2.gz	ZFKWRJMEPQRWRL-SECBINFHSA-N	-1	0	277.276	2.584	20	30		CFEDRM
C=C(C)[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1)OCC	ZINC000833368380	604596763	/nfs/dbraw/zinc/59/67/63/604596763.db2.gz	GMAVBBRDIRWMOD-DZGCQCFKSA-N	-1	0	292.331	2.727	20	30		CFEDRM
COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000831975558	604629685	/nfs/dbraw/zinc/62/96/85/604629685.db2.gz	FQGOZLJRPMQIJS-WAPJZHGLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832990013	604629780	/nfs/dbraw/zinc/62/97/80/604629780.db2.gz	KUZFLJKXDUXYBR-FPLPWBNLSA-N	-1	0	270.288	2.621	20	30		CFEDRM
COc1ccc(CNN=C(C)c2ccc(C(=O)[O-])cc2)cc1	ZINC000832352754	604639462	/nfs/dbraw/zinc/63/94/62/604639462.db2.gz	QFQGGJHVWBNSPR-UHFFFAOYSA-N	-1	0	298.342	2.907	20	30		CFEDRM
Cc1ccoc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372527	604669105	/nfs/dbraw/zinc/66/91/05/604669105.db2.gz	ZOEARIPUNGUAKP-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823473829	604701856	/nfs/dbraw/zinc/70/18/56/604701856.db2.gz	HXWQFRDFARXZND-CYBMUJFWSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC000833527397	604709706	/nfs/dbraw/zinc/70/97/06/604709706.db2.gz	ZFIDNZJYSVALSV-JTQLQIEISA-N	-1	0	267.288	2.825	20	30		CFEDRM
C=C[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1	ZINC000833371316	604778564	/nfs/dbraw/zinc/77/85/64/604778564.db2.gz	NCEFLRZDQUAONE-NFAWXSAZSA-N	-1	0	287.359	2.525	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000833068681	604806426	/nfs/dbraw/zinc/80/64/26/604806426.db2.gz	AAHUJFKAUNFMGI-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)OCC	ZINC000833367957	604866506	/nfs/dbraw/zinc/86/65/06/604866506.db2.gz	YOUWSMKSYPKQAZ-CYBMUJFWSA-N	-1	0	297.395	2.604	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(C#N)cc1	ZINC000833685912	604945193	/nfs/dbraw/zinc/94/51/93/604945193.db2.gz	KGBDRSFMHMJVFH-UHFFFAOYSA-N	-1	0	298.273	2.672	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000825642271	604978738	/nfs/dbraw/zinc/97/87/38/604978738.db2.gz	MGKBNURBHZQLFY-UHFFFAOYSA-N	-1	0	297.380	2.590	20	30		CFEDRM
C=CCN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C(C)C	ZINC000825675720	604978773	/nfs/dbraw/zinc/97/87/73/604978773.db2.gz	AGKQYSQEEICYNP-UHFFFAOYSA-N	-1	0	297.380	2.589	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000833362823	605013853	/nfs/dbraw/zinc/01/38/53/605013853.db2.gz	MEVWZQYFHAPRAE-CJNGLKHVSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccc(C(=O)[O-])s1	ZINC000833362837	605019802	/nfs/dbraw/zinc/01/98/02/605019802.db2.gz	MOFCCPIBPBUEMK-UHFFFAOYSA-N	-1	0	266.318	2.683	20	30		CFEDRM
C=CCCC[C@@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC000833374312	605021755	/nfs/dbraw/zinc/02/17/55/605021755.db2.gz	XIOUOMMYBBDWLX-SNVBAGLBSA-N	-1	0	263.293	2.681	20	30		CFEDRM
C#CCCCCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC000833362833	605032943	/nfs/dbraw/zinc/03/29/43/605032943.db2.gz	MLUDCVAJODWDCF-UHFFFAOYSA-N	-1	0	292.360	2.851	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(F)c(C#N)c1	ZINC000833455106	605033341	/nfs/dbraw/zinc/03/33/41/605033341.db2.gz	JOSRXKKWDJJTOS-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1cccc(F)c1	ZINC000833405510	605039711	/nfs/dbraw/zinc/03/97/11/605039711.db2.gz	FETGEPDALHTWRI-SNVBAGLBSA-N	-1	0	275.283	2.719	20	30		CFEDRM
CC(C)(C#N)CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833413349	605095645	/nfs/dbraw/zinc/09/56/45/605095645.db2.gz	MQMYKCOAFHPDSG-UHFFFAOYSA-N	-1	0	295.726	2.709	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C/C(=O)c2ccncc2)cc1)C(=O)[O-]	ZINC000794691533	605100918	/nfs/dbraw/zinc/10/09/18/605100918.db2.gz	QBYKFHKWVJHCKR-RPTYSRGTSA-N	-1	0	297.310	2.830	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cnn(C)c1	ZINC000833386718	605155792	/nfs/dbraw/zinc/15/57/92/605155792.db2.gz	VFULMDGDJUJSJP-UHFFFAOYSA-N	-1	0	292.726	2.608	20	30		CFEDRM
C=CCCSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833374918	605180751	/nfs/dbraw/zinc/18/07/51/605180751.db2.gz	NMMUPHAWSYFVDW-UHFFFAOYSA-N	-1	0	280.345	2.981	20	30		CFEDRM
C#CCCCCC(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833362610	605184973	/nfs/dbraw/zinc/18/49/73/605184973.db2.gz	AQPHRFZABZMGPH-UHFFFAOYSA-N	-1	0	265.334	2.887	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C#N)C(C)C)ccc1NC(=O)[O-]	ZINC000829970870	605349844	/nfs/dbraw/zinc/34/98/44/605349844.db2.gz	IMBYRFKGQMABSU-GFCCVEGCSA-N	-1	0	276.292	2.790	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833368595	605396983	/nfs/dbraw/zinc/39/69/83/605396983.db2.gz	MOMFRZWAKCFTKB-UHFFFAOYSA-N	-1	0	281.287	2.955	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000234286131	605399442	/nfs/dbraw/zinc/39/94/42/605399442.db2.gz	AVLGIIAILJYHIM-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
N#Cc1cc(CSCC2CCN(C(=O)[O-])CC2)ccn1	ZINC000833969996	605411262	/nfs/dbraw/zinc/41/12/62/605411262.db2.gz	HTIMFEPWMOIBIB-UHFFFAOYSA-N	-1	0	291.376	2.576	20	30		CFEDRM
C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1	ZINC000833551116	605419640	/nfs/dbraw/zinc/41/96/40/605419640.db2.gz	GURLRNFKXMQGMX-DZGCQCFKSA-N	-1	0	276.311	2.577	20	30		CFEDRM
Cc1cc(C(=O)OCC2(CC#N)CC2)ccc1NC(=O)[O-]	ZINC000829975901	605424599	/nfs/dbraw/zinc/42/45/99/605424599.db2.gz	JERLERRJHYELLR-UHFFFAOYSA-N	-1	0	288.303	2.936	20	30		CFEDRM
Cc1ccnc(N=NC(C)C[C@@H]2CCCN2C(=O)[O-])c1	ZINC000824760697	605465935	/nfs/dbraw/zinc/46/59/35/605465935.db2.gz	WVNHFXCBYRUBRR-LBPRGKRZSA-N	-1	0	276.340	2.710	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])N=Nc1ncccn1	ZINC000824758817	605474536	/nfs/dbraw/zinc/47/45/36/605474536.db2.gz	CNAYIHAXUAUWOW-LBPRGKRZSA-N	-1	0	291.355	2.577	20	30		CFEDRM
N#Cc1cc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c[nH]1	ZINC000833969840	605487193	/nfs/dbraw/zinc/48/71/93/605487193.db2.gz	JTNMTSBCYUJYCD-UHFFFAOYSA-N	-1	0	295.258	2.693	20	30		CFEDRM
C#CCCCCCOC(=O)c1ccc(C(=O)[O-])s1	ZINC000833361603	605521119	/nfs/dbraw/zinc/52/11/19/605521119.db2.gz	CRZKNRRFYZRISC-UHFFFAOYSA-N	-1	0	266.318	2.797	20	30		CFEDRM
C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1=CCC1	ZINC000833379835	605577998	/nfs/dbraw/zinc/57/79/98/605577998.db2.gz	NIOKFLCFCFWTLA-UHFFFAOYSA-N	-1	0	288.299	2.748	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NOCc3cccnc3)c21	ZINC000834123543	605643591	/nfs/dbraw/zinc/64/35/91/605643591.db2.gz	TZGVUCCYPBUTGP-UHFFFAOYSA-N	-1	0	297.314	2.673	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cc(C)c(C(=O)[O-])o1	ZINC000833361790	605673489	/nfs/dbraw/zinc/67/34/89/605673489.db2.gz	LYNVQLLWJNPLLS-UHFFFAOYSA-N	-1	0	278.304	2.913	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823445386	605710459	/nfs/dbraw/zinc/71/04/59/605710459.db2.gz	YXIZZOPZZNSJKU-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000833374953	605843333	/nfs/dbraw/zinc/84/33/33/605843333.db2.gz	BAOPKMHXLSYHRN-UHFFFAOYSA-N	-1	0	260.293	2.567	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ccc(Cl)cc1	ZINC000834168319	605857115	/nfs/dbraw/zinc/85/71/15/605857115.db2.gz	HNOPRQCQJWKZKG-JTQLQIEISA-N	-1	0	267.716	2.928	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cccc(F)c1F	ZINC000834171639	605861567	/nfs/dbraw/zinc/86/15/67/605861567.db2.gz	ZYMJDXSJUQIREK-MRVPVSSYSA-N	-1	0	269.251	2.553	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000827020614	605890372	/nfs/dbraw/zinc/89/03/72/605890372.db2.gz	YDLRGMIGDJYSSA-JTQLQIEISA-N	-1	0	289.335	2.707	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1cc(NC(=O)[O-])ccc1C	ZINC000833787139	606010303	/nfs/dbraw/zinc/01/03/03/606010303.db2.gz	GYFUFIVSQWZNLC-UHFFFAOYSA-N	-1	0	275.308	2.572	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](CN=Nc2ncccc2Cl)C1	ZINC000834097581	606052000	/nfs/dbraw/zinc/05/20/00/606052000.db2.gz	ATKKORJROKKBAO-VIFPVBQESA-N	-1	0	282.731	2.523	20	30		CFEDRM
CC(C)(C)CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000824079660	607887072	/nfs/dbraw/zinc/88/70/72/607887072.db2.gz	RDDQNFGOWQSJFX-UHFFFAOYSA-N	-1	0	291.359	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC(C)(C)C=C)C(=O)[O-]	ZINC000910922859	622487576	/nfs/dbraw/zinc/48/75/76/622487576.db2.gz	NUAGWFOJFUWICT-LLVKDONJSA-N	-1	0	253.342	2.514	20	30		CFEDRM
Clc1cc(NN=Cc2ccoc2)ccc1-c1nn[nH]n1	ZINC000826351347	609471829	/nfs/dbraw/zinc/47/18/29/609471829.db2.gz	JBSONLDFASJIQE-UHFFFAOYSA-N	-1	0	288.698	2.559	20	30		CFEDRM
CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)C(C)C)C1(C)C	ZINC000049418003	617604217	/nfs/dbraw/zinc/60/42/17/617604217.db2.gz	BTPKTXLPEYQKDS-GHMZBOCLSA-N	-1	0	273.398	2.920	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNC[C@@H]1CCSC1	ZINC000811661938	617693135	/nfs/dbraw/zinc/69/31/35/617693135.db2.gz	XEDJPTQMVVPHLN-QMMMGPOBSA-N	-1	0	288.775	2.861	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CSc1ccc(F)cc1	ZINC000049417856	617604051	/nfs/dbraw/zinc/60/40/51/617604051.db2.gz	MDDXISZMAPZBTB-UHFFFAOYSA-N	-1	0	291.369	2.613	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1	ZINC000049417427	617604069	/nfs/dbraw/zinc/60/40/69/617604069.db2.gz	OZBKYYZTANJWBT-UHFFFAOYSA-N	-1	0	277.345	2.883	20	30		CFEDRM
Cc1ccc(SCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417834	617604252	/nfs/dbraw/zinc/60/42/52/617604252.db2.gz	FNCZHHJVKOTUKC-UHFFFAOYSA-N	-1	0	287.406	2.782	20	30		CFEDRM
Cc1nc(N(C)Cc2cc(C#N)cs2)sc1C(=O)[O-]	ZINC000900976973	620736381	/nfs/dbraw/zinc/73/63/81/620736381.db2.gz	OZXZDPDDFQNRKH-UHFFFAOYSA-N	-1	0	293.373	2.719	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c(C)s1	ZINC000049501830	617607033	/nfs/dbraw/zinc/60/70/33/617607033.db2.gz	NQRNYIPTZOJLPY-RCOVLWMOSA-N	-1	0	273.379	2.666	20	30		CFEDRM
CCC(CC)(CNc1nc(C#N)ccc1C)C(=O)[O-]	ZINC000900962252	620737628	/nfs/dbraw/zinc/73/76/28/620737628.db2.gz	OQONJVHEVVWDMK-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
Cc1cc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)co1	ZINC000901029956	620744351	/nfs/dbraw/zinc/74/43/51/620744351.db2.gz	FKKISSMJFMJAOL-UHFFFAOYSA-N	-1	0	282.299	2.648	20	30		CFEDRM
N#Cc1cc(-c2cnn(CCC(=O)[O-])c2)ccc1C1CC1	ZINC000901080181	620750490	/nfs/dbraw/zinc/75/04/90/620750490.db2.gz	QWEDGRCDMYSIFD-UHFFFAOYSA-N	-1	0	281.315	2.774	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCOC23CCCC3)cc1	ZINC000901119999	620753205	/nfs/dbraw/zinc/75/32/05/620753205.db2.gz	SIJNWBZWDKNDGH-UHFFFAOYSA-N	-1	0	274.320	2.886	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3cccc(C(=O)[O-])c3)C2)CO1	ZINC000901123852	620753842	/nfs/dbraw/zinc/75/38/42/620753842.db2.gz	RHOMYMZWCJVJGC-MYHCZTBNSA-N	-1	0	274.320	2.742	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000890812385	617910120	/nfs/dbraw/zinc/91/01/20/617910120.db2.gz	XJHCMZNKBPJUFF-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cn1	ZINC000255058608	617934999	/nfs/dbraw/zinc/93/49/99/617934999.db2.gz	MBIZHYOTWZHGFR-HYXAFXHYSA-N	-1	0	260.268	2.644	20	30		CFEDRM
O=C([O-])c1cc(C=NO[C@@H]2CCCCO2)sc1Cl	ZINC000901205044	620764570	/nfs/dbraw/zinc/76/45/70/620764570.db2.gz	JGMURDQJIYXIDL-SECBINFHSA-N	-1	0	289.740	2.977	20	30		CFEDRM
Cc1ccc(C=NO[C@H]2CCCCO2)cc1C(=O)[O-]	ZINC000901206050	620764583	/nfs/dbraw/zinc/76/45/83/620764583.db2.gz	UKGIFVIBORLWSV-ZDUSSCGKSA-N	-1	0	263.293	2.570	20	30		CFEDRM
CC(=NN[C@@H](C)C(F)(F)F)c1ccc(F)c(O)c1	ZINC000901249805	620771739	/nfs/dbraw/zinc/77/17/39/620771739.db2.gz	IIZYQRPVWKXZAE-ZETCQYMHSA-N	-1	0	264.222	2.796	20	30		CFEDRM
C/C(=C(/F)C(=O)Nc1cc(C#N)ccc1[O-])C1CC1	ZINC000901224240	620774028	/nfs/dbraw/zinc/77/40/28/620774028.db2.gz	AYQZZBDPNUVCMB-JYRVWZFOSA-N	-1	0	260.268	2.856	20	30		CFEDRM
CCN(Cc1cc(F)cc(C(C)=O)c1O)C[C@@H](C)C#N	ZINC000050153266	618079250	/nfs/dbraw/zinc/07/92/50/618079250.db2.gz	CQSSDRNQIDYQOA-JTQLQIEISA-N	-1	0	278.327	2.715	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(Cl)c(Cl)c1	ZINC000846545622	618111106	/nfs/dbraw/zinc/11/11/06/618111106.db2.gz	YBMIRIATMUSXEV-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C[C@@H]1CC(NN=Cc2cccc(Cl)c2[O-])C[C@@H](C)O1	ZINC000901310381	620782762	/nfs/dbraw/zinc/78/27/62/620782762.db2.gz	KEZHAJCGDIKFDC-NXEZZACHSA-N	-1	0	282.771	2.925	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2c[nH]c3ccccc23)c1	ZINC000176832577	618207725	/nfs/dbraw/zinc/20/77/25/618207725.db2.gz	FLZVCLDKPOCFRF-UHFFFAOYSA-N	-1	0	291.310	2.926	20	30		CFEDRM
CO[C@H](CN=Nc1ccccc1C(=O)[O-])CC(C)C	ZINC000841614804	618207820	/nfs/dbraw/zinc/20/78/20/618207820.db2.gz	RNDAIPYBWFUWPL-NSHDSACASA-N	-1	0	264.325	2.844	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880924	618211927	/nfs/dbraw/zinc/21/19/27/618211927.db2.gz	BVEHMIYGFXPRCA-SNVBAGLBSA-N	-1	0	255.339	2.834	20	30		CFEDRM
[O-]c1cc(F)c(Cl)cc1C=Nn1nnc2c1CCCC2	ZINC000901329332	620786055	/nfs/dbraw/zinc/78/60/55/620786055.db2.gz	VQKVXQGJRHYXIM-UHFFFAOYSA-N	-1	0	294.717	2.537	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000892406970	618229769	/nfs/dbraw/zinc/22/97/69/618229769.db2.gz	TUPIMEUTAULAOH-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
CNC(=O)c1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])cc1	ZINC000255617674	618231731	/nfs/dbraw/zinc/23/17/31/618231731.db2.gz	FUNVRZPEIOLHEZ-YWEYNIOJSA-N	-1	0	299.301	2.787	20	30		CFEDRM
CC[C@@H](NN=Cc1csc(Cl)c1Cl)C(=O)[O-]	ZINC000309750580	618234900	/nfs/dbraw/zinc/23/49/00/618234900.db2.gz	KKZIUNXBSPGLHJ-ZCFIWIBFSA-N	-1	0	281.164	2.842	20	30		CFEDRM
CCCOCC(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000049178110	618252418	/nfs/dbraw/zinc/25/24/18/618252418.db2.gz	UGRQQABPALJBQW-UHFFFAOYSA-N	-1	0	299.392	2.711	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000909437799	618266422	/nfs/dbraw/zinc/26/64/22/618266422.db2.gz	NFDCLMPFIVGONK-HNNXBMFYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CSc1ccc(Cl)cc1	ZINC000092462659	618344248	/nfs/dbraw/zinc/34/42/48/618344248.db2.gz	YEHKBBFOURNARR-UHFFFAOYSA-N	-1	0	299.779	2.531	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1	ZINC000179729845	618344890	/nfs/dbraw/zinc/34/48/90/618344890.db2.gz	IIDYMZCCLBMOBK-FUNVUKJBSA-N	-1	0	298.342	2.598	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1Cl	ZINC000092467532	618348288	/nfs/dbraw/zinc/34/82/88/618348288.db2.gz	ZZZKBOBOJOSIHP-JTQLQIEISA-N	-1	0	296.754	2.683	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccccc1	ZINC000909452409	618349495	/nfs/dbraw/zinc/34/94/95/618349495.db2.gz	ZUTVHKQNHRXKRK-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
N#CC(=C([O-])c1cnc(CC2CC2)s1)c1ccccn1	ZINC000892481911	618360050	/nfs/dbraw/zinc/36/00/50/618360050.db2.gz	TULWWCGSWBDZRZ-LLVKDONJSA-N	-1	0	283.356	2.981	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cscc1C(F)F	ZINC000892499397	618394509	/nfs/dbraw/zinc/39/45/09/618394509.db2.gz	WXQKRWZQDRFSPO-SSDOTTSWSA-N	-1	0	286.303	2.533	20	30		CFEDRM
Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086054807	618398436	/nfs/dbraw/zinc/39/84/36/618398436.db2.gz	CBORLUFXROQFSZ-UHFFFAOYSA-N	-1	0	281.377	2.880	20	30		CFEDRM
CSCCON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000794573689	618430675	/nfs/dbraw/zinc/43/06/75/618430675.db2.gz	HPTFLWGUGNHXAN-UHFFFAOYSA-N	-1	0	283.349	2.706	20	30		CFEDRM
CSCCON=C(C)c1ccc(C(=O)[O-])c(F)c1	ZINC000794573305	618430766	/nfs/dbraw/zinc/43/07/66/618430766.db2.gz	WGABSNXCTJEKIB-UHFFFAOYSA-N	-1	0	271.313	2.628	20	30		CFEDRM
[O-]c1c(F)cc(C=NNCc2ccccc2)cc1F	ZINC000749854149	618443163	/nfs/dbraw/zinc/44/31/63/618443163.db2.gz	FJEFLYIHSUWSLD-UHFFFAOYSA-N	-1	0	262.259	2.794	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@H]2CCC(C)C)[n-]c1=O	ZINC000727254818	618470206	/nfs/dbraw/zinc/47/02/06/618470206.db2.gz	ZWRXVYRNBMIFRK-NSHDSACASA-N	-1	0	277.372	2.890	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000909510341	618493068	/nfs/dbraw/zinc/49/30/68/618493068.db2.gz	HGUVPNLUKCSOFD-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000909515447	618535804	/nfs/dbraw/zinc/53/58/04/618535804.db2.gz	MWBCDWAJUVATIB-ZDUSSCGKSA-N	-1	0	283.349	2.614	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000119887130	618808199	/nfs/dbraw/zinc/80/81/99/618808199.db2.gz	UKNUFJQTXMQQJN-OAHLLOKOSA-N	-1	0	284.359	2.584	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2sccc2Cl)C(=O)O1	ZINC000195333059	618949968	/nfs/dbraw/zinc/94/99/68/618949968.db2.gz	MLQNVFHQQNYWHV-JDGPPOGSSA-N	-1	0	296.731	2.630	20	30		CFEDRM
[O-]c1c(F)cc(C=NOCCC(F)(F)F)cc1F	ZINC000777462896	618961941	/nfs/dbraw/zinc/96/19/41/618961941.db2.gz	QSYODUXSTFSKFW-UHFFFAOYSA-N	-1	0	269.169	2.973	20	30		CFEDRM
Cc1nc(N[C@@H](CC(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC000261575712	619172546	/nfs/dbraw/zinc/17/25/46/619172546.db2.gz	BQVXWQHJRLZBKV-NSHDSACASA-N	-1	0	281.743	2.826	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1c(C)noc1C(C)C	ZINC000048518569	619348519	/nfs/dbraw/zinc/34/85/19/619348519.db2.gz	PWLAOBJZCJZAFY-UHFFFAOYSA-N	-1	0	288.369	2.541	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000048518768	619348898	/nfs/dbraw/zinc/34/88/98/619348898.db2.gz	DLRHFZCKAXPCQI-VIFPVBQESA-N	-1	0	283.349	2.581	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000048518763	619349203	/nfs/dbraw/zinc/34/92/03/619349203.db2.gz	IXSPEMSZDJNGJL-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1	ZINC000048519009	619349497	/nfs/dbraw/zinc/34/94/97/619349497.db2.gz	HXJNDTYCGSUGMU-UHFFFAOYSA-N	-1	0	285.365	2.777	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519401	619349791	/nfs/dbraw/zinc/34/97/91/619349791.db2.gz	MHYITWVDUSKZER-UHFFFAOYSA-N	-1	0	255.339	2.663	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000151354425	619480867	/nfs/dbraw/zinc/48/08/67/619480867.db2.gz	GQQNGRPFSFRDGG-UHFFFAOYSA-N	-1	0	285.409	2.534	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000793072686	619507306	/nfs/dbraw/zinc/50/73/06/619507306.db2.gz	VCFGLLZUQAGAAL-JTQLQIEISA-N	-1	0	292.232	2.631	20	30		CFEDRM
C[C@H](NN=Cc1ccc(OCC(=O)[O-])cc1)C(C)(C)C	ZINC000793113912	619509459	/nfs/dbraw/zinc/50/94/59/619509459.db2.gz	HSMUPUCOGFGABC-NSHDSACASA-N	-1	0	278.352	2.508	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000793157454	619528445	/nfs/dbraw/zinc/52/84/45/619528445.db2.gz	AMAKPEFWJCGMMS-VIFPVBQESA-N	-1	0	252.270	2.697	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C	ZINC000049135014	619535117	/nfs/dbraw/zinc/53/51/17/619535117.db2.gz	LPUDLEJIVGHFQN-LBPRGKRZSA-N	-1	0	299.392	2.701	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000909527886	619590266	/nfs/dbraw/zinc/59/02/66/619590266.db2.gz	JPTSHCIFOHDKCS-IAQYHMDHSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000896505068	619752218	/nfs/dbraw/zinc/75/22/18/619752218.db2.gz	KULFTONUTYHKQP-SECBINFHSA-N	-1	0	295.726	2.689	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CS1	ZINC000840712346	619930860	/nfs/dbraw/zinc/93/08/60/619930860.db2.gz	XWSMMIRMLDVKFG-YMNBLOPZSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000909602071	619985085	/nfs/dbraw/zinc/98/50/85/619985085.db2.gz	SVTRCBPURLCKKO-SJORKVTESA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262792162	620078759	/nfs/dbraw/zinc/07/87/59/620078759.db2.gz	BYQMWZUXKBTFJA-UONOGXRCSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000899295619	620541016	/nfs/dbraw/zinc/54/10/16/620541016.db2.gz	PABLYOYFZIXMPZ-JTQLQIEISA-N	-1	0	279.311	2.742	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c([O-])c1	ZINC000899362334	620553221	/nfs/dbraw/zinc/55/32/21/620553221.db2.gz	QIVADAKAOFOBDN-HJWRWDBZSA-N	-1	0	298.342	2.519	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899820363	620604502	/nfs/dbraw/zinc/60/45/02/620604502.db2.gz	ULPVVRDHYFYNLC-QDEPRCCBSA-N	-1	0	291.391	2.760	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c(Cl)c1	ZINC000899841742	620605442	/nfs/dbraw/zinc/60/54/42/620605442.db2.gz	DPTOHABZMHMMPR-RYUDHWBXSA-N	-1	0	291.734	2.617	20	30		CFEDRM
C#Cc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1	ZINC000899856076	620607039	/nfs/dbraw/zinc/60/70/39/620607039.db2.gz	OWEKGCOHXZWDJV-UHFFFAOYSA-N	-1	0	269.300	2.562	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(CCC)s1	ZINC000901585287	620870083	/nfs/dbraw/zinc/87/00/83/620870083.db2.gz	CJSVAGKOTYYGCO-UHFFFAOYSA-N	-1	0	253.367	2.773	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1	ZINC000902052343	620965076	/nfs/dbraw/zinc/96/50/76/620965076.db2.gz	ZGPDFPJNHDCCKN-DGMVEKRQSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000902069235	620967504	/nfs/dbraw/zinc/96/75/04/620967504.db2.gz	JXXBHPGTHJOYJR-CQSZACIVSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(C#N)c1	ZINC000903409118	621363825	/nfs/dbraw/zinc/36/38/25/621363825.db2.gz	WCOSBYYVMGHMLO-GWCFXTLKSA-N	-1	0	292.766	2.897	20	30		CFEDRM
CC#CC[C@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-]	ZINC000904057615	621513121	/nfs/dbraw/zinc/51/31/21/621513121.db2.gz	WQBSXUNOCHGEBE-HNNXBMFYSA-N	-1	0	285.343	2.951	20	30		CFEDRM
C[C@@H](CC(=O)N(O)Cc1ccccc1Cl)n1ccnc1	ZINC000904192973	621546831	/nfs/dbraw/zinc/54/68/31/621546831.db2.gz	GYTMJWHQUCMXOD-NSHDSACASA-N	-1	0	293.754	2.906	20	30		CFEDRM
N#CCc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1	ZINC000904231828	621553520	/nfs/dbraw/zinc/55/35/20/621553520.db2.gz	NIDBLDFMQUFOQZ-KGLIPLIRSA-N	-1	0	285.347	2.743	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904245856	621555543	/nfs/dbraw/zinc/55/55/43/621555543.db2.gz	FYUBTOMTGCRKGL-KBPBESRZSA-N	-1	0	285.347	2.857	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@]1(C#N)CC12CCCC2	ZINC000832732242	625500624	/nfs/dbraw/zinc/50/06/24/625500624.db2.gz	CGOMUULOLHZUSX-BXUZGUMPSA-N	-1	0	250.342	2.554	20	30		CFEDRM
N#CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000905003921	621680828	/nfs/dbraw/zinc/68/08/28/621680828.db2.gz	YGGDIIKJDSMWOH-KCUAXXGYSA-N	-1	0	287.197	2.564	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCc2ccccc2)CC2CCC1CC2	ZINC000905353577	621748764	/nfs/dbraw/zinc/74/87/64/621748764.db2.gz	IMLILMIQMTTXKN-PGEKIEPBSA-N	-1	0	284.359	2.954	20	30		CFEDRM
C=CCC[C@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905754689	621850036	/nfs/dbraw/zinc/85/00/36/621850036.db2.gz	PZFWVMZHMKWWPS-NSHDSACASA-N	-1	0	273.336	2.888	20	30		CFEDRM
C[C@H]1Cc2c(C#N)c([N-]S(C)(=O)=O)sc2[C@H](C)C1	ZINC000906074553	621928876	/nfs/dbraw/zinc/92/88/76/621928876.db2.gz	HXOBFAOJGWFDPP-HTQZYQBOSA-N	-1	0	284.406	2.677	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)CCCCC1	ZINC000907598163	622141345	/nfs/dbraw/zinc/14/13/45/622141345.db2.gz	PGHMIHQADMABGY-HNNXBMFYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000907635958	622144861	/nfs/dbraw/zinc/14/48/61/622144861.db2.gz	RAMLXZAQNZBREW-LALPHHSUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])CCCCC1	ZINC000907671654	622149630	/nfs/dbraw/zinc/14/96/30/622149630.db2.gz	AWROWGBTPRTFGF-JTQLQIEISA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000907647823	622150947	/nfs/dbraw/zinc/15/09/47/622150947.db2.gz	VRCXMIMDXWGOCH-UKRRQHHQSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])s1	ZINC000907684290	622151412	/nfs/dbraw/zinc/15/14/12/622151412.db2.gz	VPXMNMNAHWXGCL-VIFPVBQESA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000907682039	622151641	/nfs/dbraw/zinc/15/16/41/622151641.db2.gz	IZFSDQIIBHTXHO-NEPJUHHUSA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H](C=C)CC)C(=O)[O-]	ZINC000907781033	622163144	/nfs/dbraw/zinc/16/31/44/622163144.db2.gz	MIZIWLWHNDPZST-RYUDHWBXSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000908040433	622190195	/nfs/dbraw/zinc/19/01/95/622190195.db2.gz	ZGWOTVLGDPLUSB-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCCN(CC)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000908221045	622202979	/nfs/dbraw/zinc/20/29/79/622202979.db2.gz	MVSUSCVZFYFTNV-OLZOCXBDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCCN(CC)C(=O)C(C)(C)CCC(=O)[O-]	ZINC000908220225	622202983	/nfs/dbraw/zinc/20/29/83/622202983.db2.gz	OHGLFACNBRUVCL-UHFFFAOYSA-N	-1	0	255.358	2.692	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908237401	622207015	/nfs/dbraw/zinc/20/70/15/622207015.db2.gz	OCAHOOQSTNJEEP-HIFRSBDPSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908294472	622215083	/nfs/dbraw/zinc/21/50/83/622215083.db2.gz	XRDFOFFOTNMBKL-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908291750	622215147	/nfs/dbraw/zinc/21/51/47/622215147.db2.gz	LVZRGJCKLAMVES-CYBMUJFWSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C=CC(C)(C)NS(=O)(=O)c1cc(Cl)cnc1Cl	ZINC000908466532	622232923	/nfs/dbraw/zinc/23/29/23/622232923.db2.gz	MTSLNCSDQPVAON-UHFFFAOYSA-N	-1	0	295.191	2.631	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(C)CCCC(=O)[O-]	ZINC000908634025	622251325	/nfs/dbraw/zinc/25/13/25/622251325.db2.gz	BWFOAOJGCNYKCE-UHFFFAOYSA-N	-1	0	293.388	2.902	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000908646698	622253735	/nfs/dbraw/zinc/25/37/35/622253735.db2.gz	OSEAINAMEUHGQX-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000908698278	622262138	/nfs/dbraw/zinc/26/21/38/622262138.db2.gz	JENQYJNFXNNYFK-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1ncc(CCC)s1)C(=O)[O-]	ZINC000908673280	622262412	/nfs/dbraw/zinc/26/24/12/622262412.db2.gz	IDKRXWBRMCUJJI-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000909125758	622315902	/nfs/dbraw/zinc/31/59/02/622315902.db2.gz	JCXNVQGHWNHVGT-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909184328	622323403	/nfs/dbraw/zinc/32/34/03/622323403.db2.gz	YJVBCLZTEYBHEV-AWEZNQCLSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909293886	622335731	/nfs/dbraw/zinc/33/57/31/622335731.db2.gz	KTWVXBORNXGULM-CZUORRHYSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000909846447	622360763	/nfs/dbraw/zinc/36/07/63/622360763.db2.gz	ROZKCCBKDYHDPI-QGZVFWFLSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000909874605	622363398	/nfs/dbraw/zinc/36/33/98/622363398.db2.gz	HBXCSQPBZLZZAB-SWLSCSKDSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000909933694	622373422	/nfs/dbraw/zinc/37/34/22/622373422.db2.gz	ZOZITWYZYTUDRK-AGIUHOORSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CC[C@H]1N(C(=O)[C@@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000910024483	622387715	/nfs/dbraw/zinc/38/77/15/622387715.db2.gz	XULODGROCNATDS-NWDGAFQWSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC000910054260	622392732	/nfs/dbraw/zinc/39/27/32/622392732.db2.gz	LHNFMOPUPBZYCL-UONOGXRCSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-]	ZINC000910050391	622396722	/nfs/dbraw/zinc/39/67/22/622396722.db2.gz	JJQYHABZSGVVQG-CQSZACIVSA-N	-1	0	287.359	2.581	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910154202	622407385	/nfs/dbraw/zinc/40/73/85/622407385.db2.gz	XGHZPFLEXRZRDW-MRVPVSSYSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C#CCCCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000910217578	622412488	/nfs/dbraw/zinc/41/24/88/622412488.db2.gz	DLOSMEHZSFSPPV-MRXNPFEDSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000910251805	622419392	/nfs/dbraw/zinc/41/93/92/622419392.db2.gz	YIIAPALKCKWUCJ-KGLIPLIRSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)C(=O)[O-]	ZINC000910266575	622421131	/nfs/dbraw/zinc/42/11/31/622421131.db2.gz	NCKVSEWNIYEHHD-LNLATYFQSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC[C@H](C)CC)C(=O)[O-]	ZINC000910265562	622421254	/nfs/dbraw/zinc/42/12/54/622421254.db2.gz	HOWPGYWHNMGQSJ-SCZZXKLOSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910266573	622421408	/nfs/dbraw/zinc/42/14/08/622421408.db2.gz	NCKVSEWNIYEHHD-AUTRQRHGSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000910291145	622429938	/nfs/dbraw/zinc/42/99/38/622429938.db2.gz	FBUISIWIESCEQU-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C)c2c1CCC2)C(=O)[O-]	ZINC000910291453	622429950	/nfs/dbraw/zinc/42/99/50/622429950.db2.gz	IRCNVRXIJHNILL-OAHLLOKOSA-N	-1	0	287.359	2.633	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000910293149	622430435	/nfs/dbraw/zinc/43/04/35/622430435.db2.gz	UWCXXYIVGIXAED-GFCCVEGCSA-N	-1	0	297.301	2.702	20	30		CFEDRM
C=CC[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000910354505	622438206	/nfs/dbraw/zinc/43/82/06/622438206.db2.gz	AZRSBEZPEMQIHJ-VIFPVBQESA-N	-1	0	264.281	2.978	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1	ZINC000910570653	622454624	/nfs/dbraw/zinc/45/46/24/622454624.db2.gz	ZSMUHKFTVHFXDY-AWEZNQCLSA-N	-1	0	279.380	2.905	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000910620077	622460887	/nfs/dbraw/zinc/46/08/87/622460887.db2.gz	DAINVACGGOYVCP-UHFFFAOYSA-N	-1	0	263.293	2.688	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910904952	622484204	/nfs/dbraw/zinc/48/42/04/622484204.db2.gz	LDFAUMNCZUTNHH-CZUORRHYSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](CC)OC1CCCC1)C(=O)[O-]	ZINC000910914664	622486246	/nfs/dbraw/zinc/48/62/46/622486246.db2.gz	MJPLPAGDVVHPBO-UONOGXRCSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C(C)(C)C)on1)C(=O)[O-]	ZINC000910914393	622486360	/nfs/dbraw/zinc/48/63/60/622486360.db2.gz	KGKNWXGSTAKSAD-JTQLQIEISA-N	-1	0	294.351	2.511	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC1=CCCCC1)C(=O)[O-]	ZINC000910915393	622486708	/nfs/dbraw/zinc/48/67/08/622486708.db2.gz	YSKXUWWNPBCBJQ-CYBMUJFWSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc2ccsc2[nH]1)C(=O)[O-]	ZINC000910915696	622486742	/nfs/dbraw/zinc/48/67/42/622486742.db2.gz	PWWGXRGYFZCXBP-JTQLQIEISA-N	-1	0	292.360	2.769	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCO[C@@H](CCC)C1)C(=O)[O-]	ZINC000910918083	622487282	/nfs/dbraw/zinc/48/72/82/622487282.db2.gz	XJSUYYOBQMXVAA-IHRRRGAJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C(\C)c1ccco1)C(=O)[O-]	ZINC000910921069	622487385	/nfs/dbraw/zinc/48/73/85/622487385.db2.gz	ACWTZZKHYQBMJC-HCRIHEDKSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000910919199	622487408	/nfs/dbraw/zinc/48/74/08/622487408.db2.gz	UDOMKAFJNQTDEK-NSHDSACASA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](CC)CCC)C(=O)[O-]	ZINC000910922591	622487741	/nfs/dbraw/zinc/48/77/41/622487741.db2.gz	KVZTYYHQWKDYDH-NEPJUHHUSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)CCC)C(=O)[O-]	ZINC000910926933	622488667	/nfs/dbraw/zinc/48/86/67/622488667.db2.gz	WBKGYEKJBKSIGR-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1	ZINC000911446690	622521372	/nfs/dbraw/zinc/52/13/72/622521372.db2.gz	FHEFPXSXCAXJLT-HNNXBMFYSA-N	-1	0	293.363	2.995	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C)c1ccncc1	ZINC000819819200	622564125	/nfs/dbraw/zinc/56/41/25/622564125.db2.gz	UAGQVZIJMMOBQW-MDZLAQPJSA-N	-1	0	275.352	2.609	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000819935911	622576671	/nfs/dbraw/zinc/57/66/71/622576671.db2.gz	OUHCTVYQHOKRIF-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C#N)[nH]1	ZINC000833906679	625581852	/nfs/dbraw/zinc/58/18/52/625581852.db2.gz	WZJYFJQUMMMBOZ-UHFFFAOYSA-N	-1	0	284.275	2.537	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1CC	ZINC000820889860	622782723	/nfs/dbraw/zinc/78/27/23/622782723.db2.gz	OCUOYGGHNHZCAI-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000156672029	622953207	/nfs/dbraw/zinc/95/32/07/622953207.db2.gz	JMJYSLCKNUIQBR-DUXPYHPUSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000045098068	622964724	/nfs/dbraw/zinc/96/47/24/622964724.db2.gz	YOYQUTRPTNESLF-UHFFFAOYSA-N	-1	0	281.333	2.501	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cccs1	ZINC000045100108	622965283	/nfs/dbraw/zinc/96/52/83/622965283.db2.gz	AYVKZPRMJLGGIB-UHFFFAOYSA-N	-1	0	299.348	2.722	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](OCCC)c1ccc(F)cc1C	ZINC000821891559	623002683	/nfs/dbraw/zinc/00/26/83/623002683.db2.gz	GVLQDKPMGSOGRW-AWEZNQCLSA-N	-1	0	281.327	2.836	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)C1CC=CC1	ZINC000077940522	623087604	/nfs/dbraw/zinc/08/76/04/623087604.db2.gz	TVGHSARYYJDCIA-UHFFFAOYSA-N	-1	0	285.752	2.951	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000822417537	623099464	/nfs/dbraw/zinc/09/94/64/623099464.db2.gz	QAIYQGQTVLHHHG-VIFPVBQESA-N	-1	0	289.360	2.738	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000046929929	623104804	/nfs/dbraw/zinc/10/48/04/623104804.db2.gz	SCDQZNLSAIMKCX-UHFFFAOYSA-N	-1	0	255.339	2.749	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1C	ZINC000046929736	623105034	/nfs/dbraw/zinc/10/50/34/623105034.db2.gz	LEGZJCGPNILHHN-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)o1	ZINC000046929333	623105539	/nfs/dbraw/zinc/10/55/39/623105539.db2.gz	XJKFHFWOIUYDMF-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CC[C@@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000087509402	623170648	/nfs/dbraw/zinc/17/06/48/623170648.db2.gz	SRVJLGQMMAVOHC-QMMMGPOBSA-N	-1	0	252.701	2.734	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1	ZINC000076910496	623346700	/nfs/dbraw/zinc/34/67/00/623346700.db2.gz	IMVSVLODFIYUPR-SNVBAGLBSA-N	-1	0	287.356	2.872	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(F)c1	ZINC000173943859	623375859	/nfs/dbraw/zinc/37/58/59/623375859.db2.gz	AYPCJMYGZNLJDJ-AWEZNQCLSA-N	-1	0	290.338	2.763	20	30		CFEDRM
c1cc(-c2nn[nH]n2)ccc1CNN=C1CCCCCC1	ZINC000823742865	623389292	/nfs/dbraw/zinc/38/92/92/623389292.db2.gz	MMUHOMXYEQXUKM-UHFFFAOYSA-N	-1	0	284.367	2.667	20	30		CFEDRM
C=CCCO[N-]C(=O)C1=C(c2ccccc2)SCCO1	ZINC000824659494	623540450	/nfs/dbraw/zinc/54/04/50/623540450.db2.gz	IDPNVGGWLJQMCD-UHFFFAOYSA-N	-1	0	291.372	2.743	20	30		CFEDRM
CC(N=Nc1cncc(Cl)n1)c1ccc(C(=O)[O-])cc1	ZINC000825808839	623756753	/nfs/dbraw/zinc/75/67/53/623756753.db2.gz	GEFXWIPMOUAXCZ-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
CCC(=NOC[C@@H]1CCOC1)c1ccc(C(=O)[O-])cc1	ZINC000788034356	623973048	/nfs/dbraw/zinc/97/30/48/623973048.db2.gz	QUNIZTIMWPZTSJ-LLVKDONJSA-N	-1	0	277.320	2.552	20	30		CFEDRM
C[C@@]1(C(=O)Nc2cc(C#N)ccc2[O-])CC=CCC1	ZINC000827829262	624104967	/nfs/dbraw/zinc/10/49/67/624104967.db2.gz	KQCRBRHJYCADGP-OAHLLOKOSA-N	-1	0	256.305	2.949	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(CC(C)C)cc1	ZINC000916279648	624235259	/nfs/dbraw/zinc/23/52/59/624235259.db2.gz	DZRMBABEJMMNKS-UHFFFAOYSA-N	-1	0	299.378	2.920	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H]3CCCC[C@@H]3C2)[n-]c1=O	ZINC000916282414	624236104	/nfs/dbraw/zinc/23/61/04/624236104.db2.gz	DWBNFQXZLIEJEK-GHMZBOCLSA-N	-1	0	275.356	2.644	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc2c(c1)CCC2	ZINC000917554688	624358668	/nfs/dbraw/zinc/35/86/68/624358668.db2.gz	JAFKGCGNEJERPY-UHFFFAOYSA-N	-1	0	292.346	2.678	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1coc2ccccc12	ZINC000073289713	624701024	/nfs/dbraw/zinc/70/10/24/624701024.db2.gz	FYHOASWYODMTEL-UHFFFAOYSA-N	-1	0	281.333	2.723	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NNc1cccc(F)c1	ZINC000920384001	624717035	/nfs/dbraw/zinc/71/70/35/624717035.db2.gz	MGHVKVOEOQUWRG-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])COC(=O)CCC(C)C)n1	ZINC000921292179	624835861	/nfs/dbraw/zinc/83/58/61/624835861.db2.gz	DUFOBMGHTGYZCZ-LLVKDONJSA-N	-1	0	294.376	2.607	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000069620609	625185104	/nfs/dbraw/zinc/18/51/04/625185104.db2.gz	KFLPEYAINGEXNM-UHFFFAOYSA-N	-1	0	299.417	2.574	20	30		CFEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])oc1C)C1CCCCC1	ZINC000851595257	634448923	/nfs/dbraw/zinc/44/89/23/634448923.db2.gz	OWVAEGDYGYUQRF-UHFFFAOYSA-N	-1	0	289.331	2.694	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000851609284	634454698	/nfs/dbraw/zinc/45/46/98/634454698.db2.gz	RWCYXKNGXSVEAL-NTMALXAHSA-N	-1	0	277.320	2.854	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C	ZINC000073086759	625772159	/nfs/dbraw/zinc/77/21/59/625772159.db2.gz	WUWZFYVLIZEJBV-LLVKDONJSA-N	-1	0	269.366	2.932	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000851615921	634456722	/nfs/dbraw/zinc/45/67/22/634456722.db2.gz	KXHLAJJTLUFSKG-CYBMUJFWSA-N	-1	0	285.343	2.569	20	30		CFEDRM
CC[C@H](NN=C(C)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000834981055	625944368	/nfs/dbraw/zinc/94/43/68/625944368.db2.gz	IAZQWNIWXBCNAD-LBPRGKRZSA-N	-1	0	274.320	2.918	20	30		CFEDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)[O-])nc2)o1	ZINC000835007434	625954523	/nfs/dbraw/zinc/95/45/23/625954523.db2.gz	TWZSDARZEWTVPV-SKDRFNHKSA-N	-1	0	285.303	2.942	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1C	ZINC000835008831	625954817	/nfs/dbraw/zinc/95/48/17/625954817.db2.gz	JOZZUBSXMSRKKV-SFYZADRCSA-N	-1	0	250.273	2.968	20	30		CFEDRM
Cc1ccc(CN=NC2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1	ZINC000835008521	625955243	/nfs/dbraw/zinc/95/52/43/625955243.db2.gz	KNBNGRKMGXBTKV-WFASDCNBSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@@H]1C	ZINC000835008827	625955317	/nfs/dbraw/zinc/95/53/17/625955317.db2.gz	JOZZUBSXMSRKKV-HTQZYQBOSA-N	-1	0	250.273	2.968	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1	ZINC000835009176	625956011	/nfs/dbraw/zinc/95/60/11/625956011.db2.gz	SJIOQDYFDXPDPI-TZMCWYRMSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1	ZINC000835009049	625956051	/nfs/dbraw/zinc/95/60/51/625956051.db2.gz	MZYIODOUMJKKOF-DTORHVGOSA-N	-1	0	280.299	2.879	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1F	ZINC000835010667	625957322	/nfs/dbraw/zinc/95/73/22/625957322.db2.gz	GZLWHVOUULIUEX-WDEREUQCSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCOCC1	ZINC000835011505	625958193	/nfs/dbraw/zinc/95/81/93/625958193.db2.gz	GWLDUTIFRXGWGA-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)C1CCOCC1	ZINC000835012443	625958766	/nfs/dbraw/zinc/95/87/66/625958766.db2.gz	QBDZLVZDRQXEBF-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1	ZINC000921544695	625981734	/nfs/dbraw/zinc/98/17/34/625981734.db2.gz	AYGNGUUJHPOPTP-GFCCVEGCSA-N	-1	0	296.729	2.997	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)sc1C	ZINC000086054378	626235019	/nfs/dbraw/zinc/23/50/19/626235019.db2.gz	DNDPWLLXVSGOIR-UHFFFAOYSA-N	-1	0	287.406	2.942	20	30		CFEDRM
N#CC[C@H](NCc1cc(F)cc(F)c1[O-])C(F)(F)F	ZINC000922650405	626333858	/nfs/dbraw/zinc/33/38/58/626333858.db2.gz	PIWJGGULRWEISX-VIFPVBQESA-N	-1	0	280.196	2.605	20	30		CFEDRM
CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)c1ccccc1	ZINC000073839221	626396098	/nfs/dbraw/zinc/39/60/98/626396098.db2.gz	MNSYWGYJIIOADA-DGCLKSJQSA-N	-1	0	299.392	2.501	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(F)cc1	ZINC000073838178	626396165	/nfs/dbraw/zinc/39/61/65/626396165.db2.gz	HRIOZZCGQCSXKM-UHFFFAOYSA-N	-1	0	273.329	2.649	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC2(CC2)C1	ZINC000923060205	626447240	/nfs/dbraw/zinc/44/72/40/626447240.db2.gz	PWICHCMDZBAVEA-UHFFFAOYSA-N	-1	0	288.278	2.546	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000923076596	626449256	/nfs/dbraw/zinc/44/92/56/626449256.db2.gz	SNHLOWDSTRTVDC-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCC2)cc1	ZINC000923080419	626449498	/nfs/dbraw/zinc/44/94/98/626449498.db2.gz	LBHVZVMLUGKDQL-SNVBAGLBSA-N	-1	0	272.304	2.507	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1	ZINC000923082041	626449568	/nfs/dbraw/zinc/44/95/68/626449568.db2.gz	YCAQLFLTDKBLKM-NOEPWBJOSA-N	-1	0	286.331	2.753	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000923078469	626449953	/nfs/dbraw/zinc/44/99/53/626449953.db2.gz	CBTCRMJLQREJCC-UHFFFAOYSA-N	-1	0	290.319	2.662	20	30		CFEDRM
Cc1cc(F)c(NC(=O)C2(C#N)CC(C)C2)cc1C(=O)[O-]	ZINC000923108061	626451425	/nfs/dbraw/zinc/45/14/25/626451425.db2.gz	AJSXZWGXMADJEU-UHFFFAOYSA-N	-1	0	290.294	2.711	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000923105943	626451642	/nfs/dbraw/zinc/45/16/42/626451642.db2.gz	HXYDFGOFCPTFPA-CQSZACIVSA-N	-1	0	260.293	2.572	20	30		CFEDRM
C=CCC1(C(=O)NCCc2ccccc2C(=O)[O-])CCC1	ZINC000923122948	626451950	/nfs/dbraw/zinc/45/19/50/626451950.db2.gz	SGKFNJIXVVIJOW-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C#CCCCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923171523	626454199	/nfs/dbraw/zinc/45/41/99/626454199.db2.gz	AKPNIDXZIKFMHG-HNNXBMFYSA-N	-1	0	293.407	2.967	20	30		CFEDRM
C#CCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923178281	626454725	/nfs/dbraw/zinc/45/47/25/626454725.db2.gz	SEUHLKZKSNSPMC-CQSZACIVSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923184935	626455379	/nfs/dbraw/zinc/45/53/79/626455379.db2.gz	AXESMIAVOPZIAH-HNNXBMFYSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])OCC	ZINC000923190309	626455878	/nfs/dbraw/zinc/45/58/78/626455878.db2.gz	NHBGTGKVZAXLON-CZUORRHYSA-N	-1	0	299.411	2.611	20	30		CFEDRM
C=CCOCCCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923210631	626456981	/nfs/dbraw/zinc/45/69/81/626456981.db2.gz	GWDQEFSBABSLQD-UHFFFAOYSA-N	-1	0	297.395	2.653	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NOCc1ccccc1	ZINC000839418826	626535836	/nfs/dbraw/zinc/53/58/36/626535836.db2.gz	CHQAUYNDQOUZPC-UHFFFAOYSA-N	-1	0	285.299	2.701	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])s1	ZINC000790056532	626541029	/nfs/dbraw/zinc/54/10/29/626541029.db2.gz	NWYJZYCNHVHQDX-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
Cn1nnc2cc(/C=C/C(=O)c3ccccc3[O-])ccc21	ZINC000757475215	626553215	/nfs/dbraw/zinc/55/32/15/626553215.db2.gz	QHQXOECGCMDTFB-VQHVLOKHSA-N	-1	0	279.299	2.570	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759094588	626628415	/nfs/dbraw/zinc/62/84/15/626628415.db2.gz	KPDPPJQDPVIWOL-UHFFFAOYSA-N	-1	0	256.305	2.971	20	30		CFEDRM
C[C@H](C[C@H]1CCOC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759641123	626679062	/nfs/dbraw/zinc/67/90/62/626679062.db2.gz	BUHCDUMAVCDOJU-VTVUARRKSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C=C[C@](C)(CC)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759687935	626683676	/nfs/dbraw/zinc/68/36/76/626683676.db2.gz	VTHHJHRAHQGPSM-GFCCVEGCSA-N	-1	0	295.301	2.589	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000759718624	626686939	/nfs/dbraw/zinc/68/69/39/626686939.db2.gz	ZMUBLJUJULRPCI-UHFFFAOYSA-N	-1	0	277.283	2.582	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3ccc(F)cc32)nc1	ZINC000763369411	626983390	/nfs/dbraw/zinc/98/33/90/626983390.db2.gz	USDQQGFTMCVYRM-UHFFFAOYSA-N	-1	0	285.278	2.681	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cnc1Cl	ZINC000763370186	626983403	/nfs/dbraw/zinc/98/34/03/626983403.db2.gz	LWFCZVXLWZKWQU-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCOc3ccccc32)nc1	ZINC000763371940	626983490	/nfs/dbraw/zinc/98/34/90/626983490.db2.gz	NBWRRJHSBGPUFR-NSHDSACASA-N	-1	0	297.314	2.744	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2C[C@H]2c2ccccc2)nc1	ZINC000763369211	626983662	/nfs/dbraw/zinc/98/36/62/626983662.db2.gz	SXWNMQRQTJNJHE-KGLIPLIRSA-N	-1	0	281.315	2.981	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)c(F)c(F)c2)nc1	ZINC000763371475	626983687	/nfs/dbraw/zinc/98/36/87/626983687.db2.gz	BHJPJWOQKYCDDP-UHFFFAOYSA-N	-1	0	295.220	2.643	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3cc(F)ccc32)nc1	ZINC000763371914	626983783	/nfs/dbraw/zinc/98/37/83/626983783.db2.gz	LWORTAJDDJIEDF-UHFFFAOYSA-N	-1	0	285.278	2.681	20	30		CFEDRM
CCOc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763372080	626983998	/nfs/dbraw/zinc/98/39/98/626983998.db2.gz	QPJXXSDISHZCQR-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1F	ZINC000763376293	626984020	/nfs/dbraw/zinc/98/40/20/626984020.db2.gz	DKMOYMIVVHCRLE-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2cccc(C(=O)[O-])c2)n1	ZINC000764639526	627079038	/nfs/dbraw/zinc/07/90/38/627079038.db2.gz	HVPDTYMVAZVTDN-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CC(=NNc1ccncc1Cl)c1cccc(C(=O)[O-])c1	ZINC000764697521	627084742	/nfs/dbraw/zinc/08/47/42/627084742.db2.gz	XSHULHUKJZQHHD-UHFFFAOYSA-N	-1	0	289.722	2.691	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000766424894	627202357	/nfs/dbraw/zinc/20/23/57/627202357.db2.gz	ROYGDCGZPMCODP-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC(C)(C)c1[n-]n(Cc2ccccn2)c(=O)c1CCC#N	ZINC000767542897	627260187	/nfs/dbraw/zinc/26/01/87/627260187.db2.gz	KOIMCKFMBZDYEW-UHFFFAOYSA-N	-1	0	284.363	2.786	20	30		CFEDRM
CC(Cc1ccncc1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000767733958	627280834	/nfs/dbraw/zinc/28/08/34/627280834.db2.gz	HXESTJSSZSVKFR-UHFFFAOYSA-N	-1	0	269.304	2.810	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2ccsc21	ZINC000767958813	627298168	/nfs/dbraw/zinc/29/81/68/627298168.db2.gz	FRKGRKTXSSJALX-CYBMUJFWSA-N	-1	0	298.367	2.846	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000767989209	627300470	/nfs/dbraw/zinc/30/04/70/627300470.db2.gz	CGFOERPTRXFCQR-STQMWFEESA-N	-1	0	295.404	2.796	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000767989207	627300767	/nfs/dbraw/zinc/30/07/67/627300767.db2.gz	CGFOERPTRXFCQR-OLZOCXBDSA-N	-1	0	295.404	2.796	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2c(F)cccc2Cl)[nH]1	ZINC000769826949	627479956	/nfs/dbraw/zinc/47/99/56/627479956.db2.gz	LHTJXELLGFUAPN-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccc(O)c2)c1	ZINC000774116795	627889662	/nfs/dbraw/zinc/88/96/62/627889662.db2.gz	TZUVIVVHVNVMTP-FPLPWBNLSA-N	-1	0	268.268	2.987	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC000774289463	627912210	/nfs/dbraw/zinc/91/22/10/627912210.db2.gz	BQCZOGDISJHGEL-LBPRGKRZSA-N	-1	0	294.399	2.577	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCNc3ccccc32)nc1	ZINC000774395277	627921213	/nfs/dbraw/zinc/92/12/13/627921213.db2.gz	BBMPBRGGRCGAIR-UHFFFAOYSA-N	-1	0	296.330	2.802	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776767955	628176321	/nfs/dbraw/zinc/17/63/21/628176321.db2.gz	BKIJXBCILUFADT-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NOCCC(F)(F)F	ZINC000777459098	628228021	/nfs/dbraw/zinc/22/80/21/628228021.db2.gz	GYJZPACUEUFKDV-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
CCc1cnccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000778518874	628312172	/nfs/dbraw/zinc/31/21/72/628312172.db2.gz	SDFRDWXKQLUTBV-LICLKQGHSA-N	-1	0	285.303	2.877	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@H]1CCCOC1	ZINC000779783200	628403288	/nfs/dbraw/zinc/40/32/88/628403288.db2.gz	LMWIKFWUSISLHR-LBPRGKRZSA-N	-1	0	292.335	2.608	20	30		CFEDRM
COc1ccc(NN=C(C)c2cccc(C(=O)[O-])c2)nc1	ZINC000780274677	628449237	/nfs/dbraw/zinc/44/92/37/628449237.db2.gz	HSEGMIIQQMOINU-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CCC1(CN=Nc2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000781115221	628522597	/nfs/dbraw/zinc/52/25/97/628522597.db2.gz	JTJXWIHUOAQSCB-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
N#CCC1CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000782058842	628600742	/nfs/dbraw/zinc/60/07/42/628600742.db2.gz	XTFQDAMVOIQHGW-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
Cc1nc(F)ccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000782095752	628603719	/nfs/dbraw/zinc/60/37/19/628603719.db2.gz	ATTLNVZWCIUIIN-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccccc1C(=O)[O-]	ZINC000782290649	628624755	/nfs/dbraw/zinc/62/47/55/628624755.db2.gz	ZRYVWHOSYJFEGN-ZDUSSCGKSA-N	-1	0	260.337	2.887	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCC(F)(F)F)c(Cl)c1	ZINC000783854893	628750129	/nfs/dbraw/zinc/75/01/29/628750129.db2.gz	AGJCBNSZKDDUKJ-UHFFFAOYSA-N	-1	0	281.617	2.951	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1	ZINC000786538270	628967251	/nfs/dbraw/zinc/96/72/51/628967251.db2.gz	FFGUEZODZVIXRU-AWEZNQCLSA-N	-1	0	296.326	2.535	20	30		CFEDRM
CCOCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000788408086	629064342	/nfs/dbraw/zinc/06/43/42/629064342.db2.gz	IOQHRKJQDVRLNB-UHFFFAOYSA-N	-1	0	270.716	2.863	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNCCc1ccncc1	ZINC000789098363	629126780	/nfs/dbraw/zinc/12/67/80/629126780.db2.gz	WFPYZKVNHWQQOP-UHFFFAOYSA-N	-1	0	275.739	2.607	20	30		CFEDRM
COC1(CN=Nc2ccccc2C(=O)[O-])CCCC1	ZINC000790150514	629213936	/nfs/dbraw/zinc/21/39/36/629213936.db2.gz	ZEKURNXXSULXDQ-UHFFFAOYSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(C)on1	ZINC000790281216	629225404	/nfs/dbraw/zinc/22/54/04/629225404.db2.gz	FGGLGTJNEOOSRD-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(C)n(-c2ccccc2)c1C)C(=O)[O-]	ZINC000793056177	629480953	/nfs/dbraw/zinc/48/09/53/629480953.db2.gz	DGTVCCJRTGXXGO-MRXNPFEDSA-N	-1	0	299.374	2.881	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(Cl)cc(C)c1O)C(=O)[O-]	ZINC000793059057	629481493	/nfs/dbraw/zinc/48/14/93/629481493.db2.gz	XVHAUXYGOMQPHA-LLVKDONJSA-N	-1	0	284.743	2.531	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H]1Cc1ccccc1)C(=O)[O-]	ZINC000793057844	629481589	/nfs/dbraw/zinc/48/15/89/629481589.db2.gz	PWIWZKYREKPQBL-UONOGXRCSA-N	-1	0	274.364	2.838	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)C(=NN[C@@H](CC)C(=O)[O-])C1	ZINC000793070543	629482346	/nfs/dbraw/zinc/48/23/46/629482346.db2.gz	CIIXTXKBFBWLRD-NEPJUHHUSA-N	-1	0	250.342	2.728	20	30		CFEDRM
CC[C@@H](NN=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000793071025	629482866	/nfs/dbraw/zinc/48/28/66/629482866.db2.gz	BYNXIYGKKQXWRF-OAHLLOKOSA-N	-1	0	280.327	2.872	20	30		CFEDRM
CC[C@H](NN=C(C)c1cccc(Br)c1)C(=O)[O-]	ZINC000793072277	629482895	/nfs/dbraw/zinc/48/28/95/629482895.db2.gz	MXWHQGPEWVLLHL-NSHDSACASA-N	-1	0	299.168	2.626	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000793071359	629482966	/nfs/dbraw/zinc/48/29/66/629482966.db2.gz	DCTWIDVWSMKRSJ-NSHDSACASA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000793072560	629483015	/nfs/dbraw/zinc/48/30/15/629483015.db2.gz	NUVDFBUGEOQVQD-SSDOTTSWSA-N	-1	0	280.271	2.554	20	30		CFEDRM
CC[C@@H](NN=C1CC(C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793072902	629483759	/nfs/dbraw/zinc/48/37/59/629483759.db2.gz	RCDNEEDVLIEYIG-AFYYWNPRSA-N	-1	0	260.337	2.547	20	30		CFEDRM
CC[C@H](NN=C1CC[C@](C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793077342	629484291	/nfs/dbraw/zinc/48/42/91/629484291.db2.gz	DJXHWPCVSASJLK-HOCLYGCPSA-N	-1	0	274.364	2.937	20	30		CFEDRM
CC[C@@H](NN=C(C)c1sc(C(C)(C)C)nc1C)C(=O)[O-]	ZINC000793077764	629484457	/nfs/dbraw/zinc/48/44/57/629484457.db2.gz	HZWUYBKEGMIXCO-SNVBAGLBSA-N	-1	0	297.424	2.926	20	30		CFEDRM
CC[C@@H](NN=C1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-]	ZINC000793077902	629484486	/nfs/dbraw/zinc/48/44/86/629484486.db2.gz	JMEXIPVOJQKXKQ-UONOGXRCSA-N	-1	0	274.364	2.987	20	30		CFEDRM
CC[C@H](NN=Cc1cc(C(F)(F)F)ccc1F)C(=O)[O-]	ZINC000793080453	629485111	/nfs/dbraw/zinc/48/51/11/629485111.db2.gz	ZIDQPQMQVVCSPF-JTQLQIEISA-N	-1	0	292.232	2.631	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)C(C)(C)C	ZINC000793115130	629489279	/nfs/dbraw/zinc/48/92/79/629489279.db2.gz	KNOLASSXLQTURQ-NWDGAFQWSA-N	-1	0	292.379	2.897	20	30		CFEDRM
C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000793378982	629534243	/nfs/dbraw/zinc/53/42/43/629534243.db2.gz	OSLCGALRZMPIKH-CYBMUJFWSA-N	-1	0	298.298	2.714	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C1(C)CC1	ZINC000806030135	629604042	/nfs/dbraw/zinc/60/40/42/629604042.db2.gz	XTYXKMOSGGXFHF-UHFFFAOYSA-N	-1	0	275.414	2.736	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(SCC(=O)[O-])c1	ZINC000794401398	629643910	/nfs/dbraw/zinc/64/39/10/629643910.db2.gz	NZUFXLBPQVFEDE-UHFFFAOYSA-N	-1	0	261.224	2.754	20	30		CFEDRM
Oc1ccc(F)c(CN=Nc2cncc(Cl)n2)c1F	ZINC000794492190	629650611	/nfs/dbraw/zinc/65/06/11/629650611.db2.gz	GPBCKJMBAUXTPL-UHFFFAOYSA-N	-1	0	284.653	2.560	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCF)nc1	ZINC000794921558	629704487	/nfs/dbraw/zinc/70/44/87/629704487.db2.gz	CYUPCJHSGZSEMG-VIFPVBQESA-N	-1	0	265.288	2.707	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2c2ccccn2)nc1	ZINC000794922449	629704771	/nfs/dbraw/zinc/70/47/71/629704771.db2.gz	JZOCDYJUOOMXRF-LBPRGKRZSA-N	-1	0	296.330	2.910	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1ccc(C(=O)[O-])cc1	ZINC000794992685	629718839	/nfs/dbraw/zinc/71/88/39/629718839.db2.gz	APMRCZQATIUAIY-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
COCCCON=Cc1cccc(Br)c1[O-]	ZINC000795056202	629730796	/nfs/dbraw/zinc/73/07/96/629730796.db2.gz	VBTXQDRYMDOSHX-UHFFFAOYSA-N	-1	0	288.141	2.542	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2	ZINC000835563381	629841307	/nfs/dbraw/zinc/84/13/07/629841307.db2.gz	GMFFDFKVHLZBGG-WXRRBKDZSA-N	-1	0	299.436	2.613	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1	ZINC000796777681	629964667	/nfs/dbraw/zinc/96/46/67/629964667.db2.gz	DKPDJAIHKFTLCQ-AWEZNQCLSA-N	-1	0	298.367	2.695	20	30		CFEDRM
C#CCCCCCCOC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000835710453	629973707	/nfs/dbraw/zinc/97/37/07/629973707.db2.gz	HNOLYUROWQLPRK-UHFFFAOYSA-N	-1	0	264.281	2.663	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(C)CCCCCC1	ZINC000797724663	630097947	/nfs/dbraw/zinc/09/79/47/630097947.db2.gz	JLTBXTXOJDADFO-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(OCCC)c1	ZINC000797736263	630098660	/nfs/dbraw/zinc/09/86/60/630098660.db2.gz	NJVJFWZRHJHGNS-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])C1CCOCC1	ZINC000797749257	630099677	/nfs/dbraw/zinc/09/96/77/630099677.db2.gz	XYKBUEHQWWDLIQ-UHFFFAOYSA-N	-1	0	288.347	2.655	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccoc2C2CC2)c1	ZINC000798984728	630266737	/nfs/dbraw/zinc/26/67/37/630266737.db2.gz	CAMCQKPTDCLSTG-UHFFFAOYSA-N	-1	0	268.272	2.987	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cnoc1C	ZINC000799462715	630311252	/nfs/dbraw/zinc/31/12/52/630311252.db2.gz	SCKHZJNAEFJJLQ-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1C#N	ZINC000799473619	630311548	/nfs/dbraw/zinc/31/15/48/630311548.db2.gz	KNIXFIBUFHAUFX-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncc(C#N)s1	ZINC000799641180	630327557	/nfs/dbraw/zinc/32/75/57/630327557.db2.gz	ALTCDADZJVAPGF-UHFFFAOYSA-N	-1	0	287.410	2.727	20	30		CFEDRM
Cc1[nH]c(C=NNCc2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000800814514	630407444	/nfs/dbraw/zinc/40/74/44/630407444.db2.gz	WUAWNJXBMLFFOL-UHFFFAOYSA-N	-1	0	291.738	2.798	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1coc(C2CC2)n1	ZINC000802042967	630499394	/nfs/dbraw/zinc/49/93/94/630499394.db2.gz	MQNXZEDNDUCWBD-LBPRGKRZSA-N	-1	0	295.298	2.513	20	30		CFEDRM
CC(C)(C)OCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000802891606	630560745	/nfs/dbraw/zinc/56/07/45/630560745.db2.gz	UFJMCHUOQUOJGY-UHFFFAOYSA-N	-1	0	276.336	2.798	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C/c2cccnc2)C(=O)c2ccccc21	ZINC000806559595	630811943	/nfs/dbraw/zinc/81/19/43/630811943.db2.gz	DEIPBUZOFFQNCN-LDCOFTPGSA-N	-1	0	279.295	2.920	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(F)cc2[O-])nn1	ZINC000806573266	630814929	/nfs/dbraw/zinc/81/49/29/630814929.db2.gz	HCFMRCKNLYSULJ-XQRVVYSFSA-N	-1	0	275.283	2.600	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(F)ccc2[O-])nn1	ZINC000806573902	630815057	/nfs/dbraw/zinc/81/50/57/630815057.db2.gz	WHCMBIFWDBQACX-XQRVVYSFSA-N	-1	0	275.283	2.600	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc(Cl)c2)n1	ZINC000041516583	649991432	/nfs/dbraw/zinc/99/14/32/649991432.db2.gz	BVZDUSPMPGOOMV-VIFPVBQESA-N	-1	0	277.736	2.990	20	30		CFEDRM
C[C@@H]1CC=C(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000836780389	630881455	/nfs/dbraw/zinc/88/14/55/630881455.db2.gz	SUTWXEGHZFUCCP-SNVBAGLBSA-N	-1	0	256.305	2.949	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1	ZINC000837046205	630944203	/nfs/dbraw/zinc/94/42/03/630944203.db2.gz	GRKCYYWXUNAXOV-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
N#Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])ccn1	ZINC000808090180	630949443	/nfs/dbraw/zinc/94/94/43/630949443.db2.gz	SDWILFZSFCHYHY-UHFFFAOYSA-N	-1	0	294.141	3.000	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2COc3ccccc32)c1	ZINC000809144485	631088535	/nfs/dbraw/zinc/08/85/35/631088535.db2.gz	NSTUXBLAWAMROP-DTOZUZIGSA-N	-1	0	298.298	2.896	20	30		CFEDRM
O=C1OCc2c1cccc2N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000809144098	631088901	/nfs/dbraw/zinc/08/89/01/631088901.db2.gz	CWGXXQHDATUEGS-UHFFFAOYSA-N	-1	0	298.254	2.721	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc(Cl)c2)n1	ZINC000041516585	649991647	/nfs/dbraw/zinc/99/16/47/649991647.db2.gz	BVZDUSPMPGOOMV-SECBINFHSA-N	-1	0	277.736	2.990	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250398	649997147	/nfs/dbraw/zinc/99/71/47/649997147.db2.gz	GCISZRGNXVLCNA-UHFFFAOYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
Cc1cc(O)c(CN(C)C[C@H](C)C#N)c(Cl)c1	ZINC000840911396	631260685	/nfs/dbraw/zinc/26/06/85/631260685.db2.gz	ZAEBRMJQEFUFBC-SNVBAGLBSA-N	-1	0	252.745	2.946	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1noc2cc(Cl)ccc21	ZINC000840950613	631279166	/nfs/dbraw/zinc/27/91/66/631279166.db2.gz	PGHCBMOHVGMKBM-UHFFFAOYSA-N	-1	0	298.751	2.636	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1cccc(OC)c1	ZINC000042343842	649998023	/nfs/dbraw/zinc/99/80/23/649998023.db2.gz	RAJWLMKUOGABTR-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810530304	631382477	/nfs/dbraw/zinc/38/24/77/631382477.db2.gz	AGWSDAKRQPSRLX-MRXNPFEDSA-N	-1	0	294.354	2.855	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810532314	631383540	/nfs/dbraw/zinc/38/35/40/631383540.db2.gz	RVTVOHPLLQGQIF-INIZCTEOSA-N	-1	0	294.354	2.879	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)nc1	ZINC000810536813	631383868	/nfs/dbraw/zinc/38/38/68/631383868.db2.gz	OIGOBHCJZOOKGV-CQSZACIVSA-N	-1	0	299.374	2.586	20	30		CFEDRM
CC(NNc1ccc(C(=O)[O-])cc1F)=C1CC1(F)F	ZINC000841642000	631441314	/nfs/dbraw/zinc/44/13/14/631441314.db2.gz	ZOOONLICVYDNRY-MRVPVSSYSA-N	-1	0	272.226	2.967	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)CCCC)CC1	ZINC000810979628	631490366	/nfs/dbraw/zinc/49/03/66/631490366.db2.gz	GKDJYEXWXDVWRF-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@H](C)C2)CC1	ZINC000810988859	631491162	/nfs/dbraw/zinc/49/11/62/631491162.db2.gz	YZGWUTOQUCAFFL-STQMWFEESA-N	-1	0	299.436	2.758	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC[C@@H]2CCSC2)c(Cl)c1	ZINC000811660464	631599015	/nfs/dbraw/zinc/59/90/15/631599015.db2.gz	NQBFHXWVFXIMSH-VIFPVBQESA-N	-1	0	298.795	2.715	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2ccc(C)cc2[O-])cn1C	ZINC000811692359	631607078	/nfs/dbraw/zinc/60/70/78/631607078.db2.gz	FABOWYHHZLQACO-FNORWQNLSA-N	-1	0	299.326	2.722	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC(C)=C(C)C2)CC1	ZINC000842798688	631743878	/nfs/dbraw/zinc/74/38/78/631743878.db2.gz	FEXHBRRYBLOZIQ-ZDUSSCGKSA-N	-1	0	297.420	2.678	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC1CCC1	ZINC000812787387	631775383	/nfs/dbraw/zinc/77/53/83/631775383.db2.gz	QCXKAUVOSNVQSD-GFCCVEGCSA-N	-1	0	256.346	2.558	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1cc(C(F)(F)F)ccn1	ZINC000813218425	631883213	/nfs/dbraw/zinc/88/32/13/631883213.db2.gz	OUUWFVKXCFRPEE-JTQLQIEISA-N	-1	0	282.221	2.581	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1	ZINC000814023276	631995669	/nfs/dbraw/zinc/99/56/69/631995669.db2.gz	WPQUDVQETCIEJN-ZDUSSCGKSA-N	-1	0	281.377	2.550	20	30		CFEDRM
O=C([O-])c1ccc(NN=C2COc3ccccc32)cc1	ZINC000814680981	632106809	/nfs/dbraw/zinc/10/68/09/632106809.db2.gz	RASYHOSSWXGAOP-UHFFFAOYSA-N	-1	0	268.272	2.593	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccnc2Cl)cc1	ZINC000814680880	632107129	/nfs/dbraw/zinc/10/71/29/632107129.db2.gz	MOGJMXNXWGTKOZ-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc([N+](=O)[O-])c1	ZINC000814694292	632110088	/nfs/dbraw/zinc/11/00/88/632110088.db2.gz	DDPFFUZSUWCLNJ-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C(N=Nc2nncc3ccccc32)CC[C@H]1CC(=O)[O-]	ZINC000814706331	632110794	/nfs/dbraw/zinc/11/07/94/632110794.db2.gz	XUQAUULHPIPTAU-QWRGUYRKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NNCc2ccccc2)C1	ZINC000814751698	632118342	/nfs/dbraw/zinc/11/83/42/632118342.db2.gz	QPNZKFHPQDWGDX-UHFFFAOYSA-N	-1	0	294.354	2.949	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814763437	632119467	/nfs/dbraw/zinc/11/94/67/632119467.db2.gz	CNAJQFYUNKBUHB-WDEREUQCSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814764477	632119847	/nfs/dbraw/zinc/11/98/47/632119847.db2.gz	WJVLUDVKDIDJBV-MNOVXSKESA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCON=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000814788256	632123513	/nfs/dbraw/zinc/12/35/13/632123513.db2.gz	KWQCZGJYEOPCKP-LBPRGKRZSA-N	-1	0	279.336	2.884	20	30		CFEDRM
CC(N=Nc1cncc(Cl)n1)c1cc(C(=O)[O-])cs1	ZINC000814797808	632126339	/nfs/dbraw/zinc/12/63/39/632126339.db2.gz	PWRGRRNGEMPLNS-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1csc(C(=O)[O-])c1	ZINC000814831729	632134427	/nfs/dbraw/zinc/13/44/27/632134427.db2.gz	OOJWJDCPQBCHFB-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc2ccccc12	ZINC000814841487	632136407	/nfs/dbraw/zinc/13/64/07/632136407.db2.gz	PAMSCLPXVFITRK-RYUDHWBXSA-N	-1	0	297.358	2.945	20	30		CFEDRM
CC(N=Nc1nccnc1Cl)c1csc(C(=O)[O-])c1	ZINC000814850353	632138168	/nfs/dbraw/zinc/13/81/68/632138168.db2.gz	KIESUGZMOOKALG-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNCC(F)F	ZINC000814854595	632139845	/nfs/dbraw/zinc/13/98/45/632139845.db2.gz	OPLXYBJDOZXQHQ-UHFFFAOYSA-N	-1	0	250.289	2.642	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(C#N)cc1	ZINC000814882704	632147417	/nfs/dbraw/zinc/14/74/17/632147417.db2.gz	MNJKJSXAEGNGMA-FZMZJTMJSA-N	-1	0	285.347	2.525	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCS[C@H]1C	ZINC000814887917	632149826	/nfs/dbraw/zinc/14/98/26/632149826.db2.gz	SQDSHGQAIGCMBN-QMMMGPOBSA-N	-1	0	280.349	2.687	20	30		CFEDRM
CC(Cc1ccc(F)cc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000814890146	632150829	/nfs/dbraw/zinc/15/08/29/632150829.db2.gz	ITSWSIZBYZCUKT-UHFFFAOYSA-N	-1	0	287.294	2.949	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(F)c1	ZINC000814901881	632155975	/nfs/dbraw/zinc/15/59/75/632155975.db2.gz	APBURIRSOFZRSN-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(N=Nc1ncncc1Cl)c1cc(C(=O)[O-])cs1	ZINC000814908988	632160018	/nfs/dbraw/zinc/16/00/18/632160018.db2.gz	GAVXDCQOTUZAQP-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814911532	632161783	/nfs/dbraw/zinc/16/17/83/632161783.db2.gz	MLJDVXVUKYMGES-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CSCCON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814922088	632166059	/nfs/dbraw/zinc/16/60/59/632166059.db2.gz	SYUBMNBQXSQUND-UHFFFAOYSA-N	-1	0	279.361	2.538	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ncccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814927558	632168137	/nfs/dbraw/zinc/16/81/37/632168137.db2.gz	UQXZECIRNIUGSW-SCZZXKLOSA-N	-1	0	265.288	2.509	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOC2CCC2)C1	ZINC000814936453	632173313	/nfs/dbraw/zinc/17/33/13/632173313.db2.gz	SOMQTQGQKXOPEJ-UHFFFAOYSA-N	-1	0	259.305	2.728	20	30		CFEDRM
CC[C@H](NN=C1CCC(c2ccc(O)cc2)CC1)C(=O)[O-]	ZINC000814936835	632173377	/nfs/dbraw/zinc/17/33/77/632173377.db2.gz	LLWREMHYUUQWMU-MHTVFEQDSA-N	-1	0	290.363	2.859	20	30		CFEDRM
CC(C)OCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814936710	632173721	/nfs/dbraw/zinc/17/37/21/632173721.db2.gz	GOLINGYGFVBMTG-VXGBXAGGSA-N	-1	0	285.384	2.941	20	30		CFEDRM
C[C@@H](N=NC1CC[C@H](C(=O)[O-])C[C@H]1C)C(C)(C)C	ZINC000814938208	632174175	/nfs/dbraw/zinc/17/41/75/632174175.db2.gz	XTZIQJVSOFYOMJ-MXWKQRLJSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000814937326	632174288	/nfs/dbraw/zinc/17/42/88/632174288.db2.gz	BYOVXLXLYSXWLT-GXTWGEPZSA-N	-1	0	260.337	2.763	20	30		CFEDRM
C[C@H]1C(=NOCC2CC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814941186	632176198	/nfs/dbraw/zinc/17/61/98/632176198.db2.gz	PTXWSYDPEHFSHL-ONGXEEELSA-N	-1	0	253.342	2.926	20	30		CFEDRM
C[C@@H]1OCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1C	ZINC000844564788	632248030	/nfs/dbraw/zinc/24/80/30/632248030.db2.gz	GPGAUSFHNXBULQ-SFYZADRCSA-N	-1	0	282.727	2.861	20	30		CFEDRM
CSCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844624374	632267589	/nfs/dbraw/zinc/26/75/89/632267589.db2.gz	PVMBWGMREXMRJU-UHFFFAOYSA-N	-1	0	252.339	2.844	20	30		CFEDRM
Cc1c(NN=Cc2cnn(C(C)C)c2)cccc1C(=O)[O-]	ZINC000844623964	632267647	/nfs/dbraw/zinc/26/76/47/632267647.db2.gz	OQNLRSUSBVYBDE-UHFFFAOYSA-N	-1	0	286.335	2.917	20	30		CFEDRM
Cc1c(N=NC(C)[C@H]2CCCOC2)cccc1C(=O)[O-]	ZINC000844623918	632267818	/nfs/dbraw/zinc/26/78/18/632267818.db2.gz	NWHJWWSDIGCYKH-LBPRGKRZSA-N	-1	0	276.336	2.908	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCc3cccc(O)c32)c1	ZINC000815877773	632328052	/nfs/dbraw/zinc/32/80/52/632328052.db2.gz	GXVMJXMHTIEUFE-GFCCVEGCSA-N	-1	0	294.310	2.638	20	30		CFEDRM
CC[C@H](C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000816499452	632472571	/nfs/dbraw/zinc/47/25/71/632472571.db2.gz	QHTARNVTJIIVPU-ZLUOBGJFSA-N	-1	0	283.187	2.980	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000816978880	632543529	/nfs/dbraw/zinc/54/35/29/632543529.db2.gz	CXPHLMIGXROXLU-LLVKDONJSA-N	-1	0	290.338	2.823	20	30		CFEDRM
CCOCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845836804	632577512	/nfs/dbraw/zinc/57/75/12/632577512.db2.gz	MFMJELNIQVDHCR-LLVKDONJSA-N	-1	0	291.372	2.555	20	30		CFEDRM
CCC(=O)C(C#N)=C([O-])c1sccc1Br	ZINC000845844754	632579401	/nfs/dbraw/zinc/57/94/01/632579401.db2.gz	KVKJBFFUKAHZCC-LURJTMIESA-N	-1	0	286.150	2.812	20	30		CFEDRM
CC[C@H](C#N)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000845854347	632583310	/nfs/dbraw/zinc/58/33/10/632583310.db2.gz	PBBGBRQAMVEEKR-SNVBAGLBSA-N	-1	0	286.253	2.803	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(Cl)cc1OC)C(=O)[O-]	ZINC000817329090	632604166	/nfs/dbraw/zinc/60/41/66/632604166.db2.gz	RJTQHJWNNBPHDP-NSHDSACASA-N	-1	0	284.743	2.525	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1OC(C)C	ZINC000846263140	632677362	/nfs/dbraw/zinc/67/73/62/632677362.db2.gz	ATJWTKJHTSOIES-UHFFFAOYSA-N	-1	0	263.337	2.546	20	30		CFEDRM
N#CC1(CNC(=O)c2cccc(Cl)c2[O-])CCCC1	ZINC000846345188	632692719	/nfs/dbraw/zinc/69/27/19/632692719.db2.gz	NJAJQUDUDFPVGE-UHFFFAOYSA-N	-1	0	278.739	2.859	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000846536921	632726197	/nfs/dbraw/zinc/72/61/97/632726197.db2.gz	BQMDVKCCFABTNH-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cccc(Cl)c1C	ZINC000846538235	632727848	/nfs/dbraw/zinc/72/78/48/632727848.db2.gz	UDTNUMFKWFHPEI-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(Cl)ccc1Cl	ZINC000846542736	632731118	/nfs/dbraw/zinc/73/11/18/632731118.db2.gz	HQFCRDDBLUIDSX-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1	ZINC000846548343	632736273	/nfs/dbraw/zinc/73/62/73/632736273.db2.gz	SVQGJOGTGLYARP-XUXIUFHCSA-N	-1	0	269.385	2.983	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCc2sccc21	ZINC000846547699	632736725	/nfs/dbraw/zinc/73/67/25/632736725.db2.gz	LUCIOAIAUDAKPZ-KOLCDFICSA-N	-1	0	251.351	2.790	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)SCc1ccccc1	ZINC000846549381	632737415	/nfs/dbraw/zinc/73/74/15/632737415.db2.gz	JVHBHYHNEFPBAG-NWDGAFQWSA-N	-1	0	265.378	2.931	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)OC1CCCCC1	ZINC000846550532	632738932	/nfs/dbraw/zinc/73/89/32/632738932.db2.gz	YALDHCGDLMOXDH-AAEUAGOBSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000846552780	632739578	/nfs/dbraw/zinc/73/95/78/632739578.db2.gz	PPDZLMAGQVFTHM-JTQLQIEISA-N	-1	0	276.311	2.597	20	30		CFEDRM
C=CCCCC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000846710897	632779287	/nfs/dbraw/zinc/77/92/87/632779287.db2.gz	GRYPAKXSJBGLIU-MRXNPFEDSA-N	-1	0	275.348	2.501	20	30		CFEDRM
N#CCC1(CNC(=O)c2ccc3oc(=S)[n-]c3c2)CC1	ZINC000847007709	632879070	/nfs/dbraw/zinc/87/90/70/632879070.db2.gz	HXMBPRSAJHPJKN-UHFFFAOYSA-N	-1	0	287.344	2.540	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000848244785	633223113	/nfs/dbraw/zinc/22/31/13/633223113.db2.gz	DRQPOEUZMKPBEO-MFKMUULPSA-N	-1	0	282.771	2.565	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000848275412	633228140	/nfs/dbraw/zinc/22/81/40/633228140.db2.gz	NKYDOPPVIWIWMW-JTQLQIEISA-N	-1	0	297.276	2.896	20	30		CFEDRM
C=CCCCCCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000848293371	633235971	/nfs/dbraw/zinc/23/59/71/633235971.db2.gz	IVHQPOHXBVEYOE-UHFFFAOYSA-N	-1	0	285.347	2.812	20	30		CFEDRM
CC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCOCC1	ZINC000848415333	633253099	/nfs/dbraw/zinc/25/30/99/633253099.db2.gz	ZPAHHEKZEVLWNB-UHFFFAOYSA-N	-1	0	276.336	2.528	20	30		CFEDRM
COCC1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000848415130	633253191	/nfs/dbraw/zinc/25/31/91/633253191.db2.gz	WZKPBFNHEZOCTF-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
C[C@H](CCC#N)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414382	633253265	/nfs/dbraw/zinc/25/32/65/633253265.db2.gz	NWQCGGIEOPDOEO-LLVKDONJSA-N	-1	0	259.309	2.651	20	30		CFEDRM
O=C(C=Cc1cc2n(n1)CCCC2)c1sccc1[O-]	ZINC000848639915	633305514	/nfs/dbraw/zinc/30/55/14/633305514.db2.gz	GCBRADKKGUTJEF-PLNGDYQASA-N	-1	0	274.345	2.883	20	30		CFEDRM
CC1(C)C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000849169174	633576975	/nfs/dbraw/zinc/57/69/75/633576975.db2.gz	BWJDPEQVZCFTET-UWJMNNEMSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1ncc(CO)c(/C=N\[C@@H]2Cc3ccccc3[C@@H]2C)c1O	ZINC000849170037	633578331	/nfs/dbraw/zinc/57/83/31/633578331.db2.gz	KBNUVWBBXPYVJU-GGWKHGSLSA-N	-1	0	296.370	2.735	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000849247469	633589620	/nfs/dbraw/zinc/58/96/20/633589620.db2.gz	TZKJBHSKJDZDJE-HJWRWDBZSA-N	-1	0	268.316	2.899	20	30		CFEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1ccccc1[O-]	ZINC000849246243	633589727	/nfs/dbraw/zinc/58/97/27/633589727.db2.gz	GFVQDZLQLDOHLT-BQYQJAHWSA-N	-1	0	268.316	2.895	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccnn2CC2CC2)c([O-])c1	ZINC000849246360	633590084	/nfs/dbraw/zinc/59/00/84/633590084.db2.gz	HOJDSULQVVHMNU-QPJJXVBHSA-N	-1	0	298.342	2.903	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000850751538	634079576	/nfs/dbraw/zinc/07/95/76/634079576.db2.gz	CUKFTDFRFLLCHV-HNNXBMFYSA-N	-1	0	284.359	2.755	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850760379	634081797	/nfs/dbraw/zinc/08/17/97/634081797.db2.gz	YQSYIPRPGPKFLY-INIZCTEOSA-N	-1	0	296.370	2.945	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(CF)cc1	ZINC000850768754	634083988	/nfs/dbraw/zinc/08/39/88/634083988.db2.gz	XBMOLGZYNSJMEA-CQSZACIVSA-N	-1	0	288.322	2.537	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC(CF)(CF)C2)cc1	ZINC000853251975	634952293	/nfs/dbraw/zinc/95/22/93/634952293.db2.gz	GMYZVOJMEIXWLZ-UHFFFAOYSA-N	-1	0	268.263	2.872	20	30		CFEDRM
CCCOc1ccc(C=NN[C@H](CC)C(=O)[O-])c(C)c1	ZINC000853348471	634979861	/nfs/dbraw/zinc/97/98/61/634979861.db2.gz	ILQYSIGFNDTODH-CQSZACIVSA-N	-1	0	278.352	2.571	20	30		CFEDRM
C[C@@H]1CCCCN1N=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853384923	634989888	/nfs/dbraw/zinc/98/98/88/634989888.db2.gz	OHSYYMQSUVCRCD-MRVPVSSYSA-N	-1	0	293.754	2.576	20	30		CFEDRM
CC(=NOCC1CCC1)c1cc(C(=O)[O-])cs1	ZINC000853441513	635001271	/nfs/dbraw/zinc/00/12/71/635001271.db2.gz	ZMIQXNQPGZHHOF-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
C=CCO[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCCC1	ZINC000854852481	635409626	/nfs/dbraw/zinc/40/96/26/635409626.db2.gz	OSXHOFIOMFOALD-UHFFFAOYSA-N	-1	0	297.395	2.903	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccccc2C)CCCCC1	ZINC000855602958	635596493	/nfs/dbraw/zinc/59/64/93/635596493.db2.gz	HGNIHVCRYZLKPS-UHFFFAOYSA-N	-1	0	271.360	2.878	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(/C=C\C)cc1OC	ZINC000856028539	635704619	/nfs/dbraw/zinc/70/46/19/635704619.db2.gz	IZXHCSYHQIMOSG-ALCCZGGFSA-N	-1	0	291.347	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)Oc1ccc(OCC)cc1	ZINC000856030042	635705163	/nfs/dbraw/zinc/70/51/63/635705163.db2.gz	NGKGBFDKLZRINL-UHFFFAOYSA-N	-1	0	293.363	2.867	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000856029593	635705478	/nfs/dbraw/zinc/70/54/78/635705478.db2.gz	VNZOOSCABMSDQS-LLVKDONJSA-N	-1	0	281.739	2.515	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000856030357	635705757	/nfs/dbraw/zinc/70/57/57/635705757.db2.gz	DIBXACAUBVYEAU-HNNXBMFYSA-N	-1	0	288.347	2.586	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(SC)cc1	ZINC000856032247	635707806	/nfs/dbraw/zinc/70/78/06/635707806.db2.gz	LHVKAMAKTTUQFO-LLVKDONJSA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl	ZINC000856032688	635707906	/nfs/dbraw/zinc/70/79/06/635707906.db2.gz	SMXARAXJKWTZND-VIFPVBQESA-N	-1	0	287.718	2.870	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1SCCc2ccccc21	ZINC000856032245	635707931	/nfs/dbraw/zinc/70/79/31/635707931.db2.gz	LHTBKLGOQKLCQT-CYBMUJFWSA-N	-1	0	263.362	2.641	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)[C@@H]1OCCc2sccc21	ZINC000856035905	635710337	/nfs/dbraw/zinc/71/03/37/635710337.db2.gz	NEFHVCGVRSNUSC-GWCFXTLKSA-N	-1	0	281.377	2.622	20	30		CFEDRM
CCCCCCCC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000114922484	635941859	/nfs/dbraw/zinc/94/18/59/635941859.db2.gz	NEMDLXQKMLFSSY-GFCCVEGCSA-N	-1	0	257.374	2.820	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCOCC2)cc1F	ZINC000857209532	635946810	/nfs/dbraw/zinc/94/68/10/635946810.db2.gz	BBZFLRLOQNFQLZ-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048425512	650266239	/nfs/dbraw/zinc/26/62/39/650266239.db2.gz	TVMDPISPTGCULQ-SECBINFHSA-N	-1	0	255.339	2.686	20	30		CFEDRM
CC(C)(C(=O)[N-]OCCC1CC1)c1ccc(C#N)cc1	ZINC000861825015	637241246	/nfs/dbraw/zinc/24/12/46/637241246.db2.gz	ZJQHOXVUVPFARN-UHFFFAOYSA-N	-1	0	272.348	2.684	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862132491	637278758	/nfs/dbraw/zinc/27/87/58/637278758.db2.gz	GUXLFXIYKKMTGQ-CYBMUJFWSA-N	-1	0	284.359	2.992	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)OCc1ccc(C)cc1	ZINC000862132256	637278816	/nfs/dbraw/zinc/27/88/16/637278816.db2.gz	BVYNMLIRQDWQAQ-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862217321	637288281	/nfs/dbraw/zinc/28/82/81/637288281.db2.gz	ADVZMCRMQLSFRZ-UHFFFAOYSA-N	-1	0	284.359	2.994	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCCCO1	ZINC000863063173	637547686	/nfs/dbraw/zinc/54/76/86/637547686.db2.gz	PBRYOACFXOXELQ-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])nc1)C(C)(F)F	ZINC000863118325	637563796	/nfs/dbraw/zinc/56/37/96/637563796.db2.gz	UNARIHBYJZWJDQ-UHFFFAOYSA-N	-1	0	271.267	2.859	20	30		CFEDRM
Oc1ccc(C=NNCC(F)(F)C(F)(F)F)c(F)c1	ZINC000863182906	637581185	/nfs/dbraw/zinc/58/11/85/637581185.db2.gz	DGLQUWHGCNCXMJ-UHFFFAOYSA-N	-1	0	286.175	2.652	20	30		CFEDRM
C=C(Cl)CN1CCC(c2ncc(C(=O)[O-])s2)CC1	ZINC000863473606	637670172	/nfs/dbraw/zinc/67/01/72/637670172.db2.gz	SJLWDDCIXLIXAG-UHFFFAOYSA-N	-1	0	286.784	2.773	20	30		CFEDRM
C=CCCCCCNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864152725	637893784	/nfs/dbraw/zinc/89/37/84/637893784.db2.gz	NVIBLPRJCXJOSE-FPLPWBNLSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=CCCCCCNC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864152724	637894159	/nfs/dbraw/zinc/89/41/59/637894159.db2.gz	NVIBLPRJCXJOSE-BQYQJAHWSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1	ZINC000864156197	637895952	/nfs/dbraw/zinc/89/59/52/637895952.db2.gz	MWQAQKYLHQQBMU-YPUOHESYSA-N	-1	0	289.331	2.806	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-]	ZINC000864174695	637902155	/nfs/dbraw/zinc/90/21/55/637902155.db2.gz	KXFMGWZUDQOMSV-ZIAGYGMSSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000864177505	637903734	/nfs/dbraw/zinc/90/37/34/637903734.db2.gz	GRSKOUUDONOLNB-QWHCGFSZSA-N	-1	0	273.332	2.707	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864183097	637906651	/nfs/dbraw/zinc/90/66/51/637906651.db2.gz	QPYZYJCWZRFEOB-LBPRGKRZSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000864182770	637906732	/nfs/dbraw/zinc/90/67/32/637906732.db2.gz	DJWQZYCPJHLGIF-CYBMUJFWSA-N	-1	0	293.750	2.501	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(CC)cc1)C(=O)[O-]	ZINC000864184983	637907500	/nfs/dbraw/zinc/90/75/00/637907500.db2.gz	ZKIAPJUJABRLCX-LBPRGKRZSA-N	-1	0	281.739	2.575	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000864186850	637908553	/nfs/dbraw/zinc/90/85/53/637908553.db2.gz	YREDZECOKJBQSI-MNOVXSKESA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCC2(CC2)CC1)C(=O)[O-]	ZINC000864186545	637908745	/nfs/dbraw/zinc/90/87/45/637908745.db2.gz	RPLBTVDMQHOLGM-LLVKDONJSA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(C)C[C@@H](NCc1nc2c(s1)CCCC2)C(=O)[O-]	ZINC000864529573	638013682	/nfs/dbraw/zinc/01/36/82/638013682.db2.gz	JYMHREOQAASVPQ-LLVKDONJSA-N	-1	0	280.393	2.531	20	30		CFEDRM
C=C(C)C[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000864529735	638013848	/nfs/dbraw/zinc/01/38/48/638013848.db2.gz	LQQLRCOGRFVPPH-CQSZACIVSA-N	-1	0	286.331	2.851	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccc(CC)cc1)C(=O)[O-]	ZINC000864581554	638033406	/nfs/dbraw/zinc/03/34/06/638033406.db2.gz	UQXVHTAZCORWBV-GFCCVEGCSA-N	-1	0	296.754	2.966	20	30		CFEDRM
C=C(C)C[N@@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccccc1	ZINC000864785476	638092010	/nfs/dbraw/zinc/09/20/10/638092010.db2.gz	DKJIFTPALDAOEK-UHFFFAOYSA-N	-1	0	299.374	2.697	20	30		CFEDRM
C[C@@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866358538	638803536	/nfs/dbraw/zinc/80/35/36/638803536.db2.gz	JKWLUMXOFNUNGW-SFYZADRCSA-N	-1	0	258.243	2.865	20	30		CFEDRM
C[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1csnn1	ZINC000866374811	638808768	/nfs/dbraw/zinc/80/87/68/638808768.db2.gz	NZAXEUZHQXTPSH-IUCAKERBSA-N	-1	0	274.349	2.527	20	30		CFEDRM
O=C(/C=C\c1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000207541164	638987522	/nfs/dbraw/zinc/98/75/22/638987522.db2.gz	YNSAXWPAZMOGIE-CLTKARDFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2nccc3ccccc32)CC1	ZINC000869152470	639048863	/nfs/dbraw/zinc/04/88/63/639048863.db2.gz	CWZMATNCMWLDAO-UHFFFAOYSA-N	-1	0	282.343	2.890	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)sc1Cl	ZINC000191273186	650486889	/nfs/dbraw/zinc/48/68/89/650486889.db2.gz	YKJZUVCBPWLXKC-UHFFFAOYSA-N	-1	0	294.159	2.768	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2cc(C)c(C)cc2o1	ZINC000191267921	650487008	/nfs/dbraw/zinc/48/70/08/650487008.db2.gz	VPTXLRYXWVWRDA-UHFFFAOYSA-N	-1	0	287.315	2.762	20	30		CFEDRM
CN(C(=O)c1cccc(Cl)c1[O-])[C@@H]1CCC[C@@H]1C#N	ZINC000870673183	639762639	/nfs/dbraw/zinc/76/26/39/639762639.db2.gz	DDDHZNMTOGQZBX-BXKDBHETSA-N	-1	0	278.739	2.810	20	30		CFEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)C(C)(F)F	ZINC000870690093	639772602	/nfs/dbraw/zinc/77/26/02/639772602.db2.gz	JBYIJVVDCHXVRX-UHFFFAOYSA-N	-1	0	268.263	2.650	20	30		CFEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)[C@@H]1CCCCO1	ZINC000870691531	639774936	/nfs/dbraw/zinc/77/49/36/639774936.db2.gz	PSTPIIVVCRTIMR-AWEZNQCLSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C[C@@H]1CCC[C@@H](OCC(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692777	639775626	/nfs/dbraw/zinc/77/56/26/639775626.db2.gz	NPUJXZAMQOPUDS-TZMCWYRMSA-N	-1	0	288.347	2.564	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000193369237	650647575	/nfs/dbraw/zinc/64/75/75/650647575.db2.gz	JPDHDJZJPQRYDX-AWEZNQCLSA-N	-1	0	272.348	2.624	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1	ZINC000871597531	641362463	/nfs/dbraw/zinc/36/24/63/641362463.db2.gz	RZLIQDIGOCYFKG-IHFACSKXSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CCOC1CC2(C[C@@H]2/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871598223	641364131	/nfs/dbraw/zinc/36/41/31/641364131.db2.gz	JBIWVYLUBXZMHP-NGQAIQAESA-N	-1	0	290.319	2.677	20	30		CFEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCCOC1	ZINC000872387636	641786504	/nfs/dbraw/zinc/78/65/04/641786504.db2.gz	UNGRZOPOYODOHS-ZDUSSCGKSA-N	-1	0	290.363	2.918	20	30		CFEDRM
Cc1cccc2sc(N=NC3CC(C(=O)[O-])C3)nc21	ZINC000872419856	641804162	/nfs/dbraw/zinc/80/41/62/641804162.db2.gz	YCMLYTPOYUTUEI-UHFFFAOYSA-N	-1	0	275.333	2.867	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1sccc1C(F)F)C(=O)[O-]	ZINC000872740560	641918331	/nfs/dbraw/zinc/91/83/31/641918331.db2.gz	KXWSGMDJYYEZNL-MRVPVSSYSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000872739554	641918372	/nfs/dbraw/zinc/91/83/72/641918372.db2.gz	DXFZTWMTVXEHLW-RRFJBIMHSA-N	-1	0	287.359	2.921	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000872753372	641921225	/nfs/dbraw/zinc/92/12/25/641921225.db2.gz	VXTLPNOEOXPKTO-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C#CCOc1cccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])c1	ZINC000872844065	641950112	/nfs/dbraw/zinc/95/01/12/641950112.db2.gz	RYTXIBJRZANTGA-INIZCTEOSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000872852161	641951756	/nfs/dbraw/zinc/95/17/56/641951756.db2.gz	KRWNJKYYXUZNBL-WMLDXEAASA-N	-1	0	287.359	2.758	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000872852162	641951823	/nfs/dbraw/zinc/95/18/23/641951823.db2.gz	KRWNJKYYXUZNBL-YOEHRIQHSA-N	-1	0	287.359	2.758	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1sccc1C(F)F	ZINC000873498208	642224423	/nfs/dbraw/zinc/22/44/23/642224423.db2.gz	SDFDEGUMNLWJNF-VIFPVBQESA-N	-1	0	298.314	2.631	20	30		CFEDRM
N#Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)o1	ZINC000873642296	642285344	/nfs/dbraw/zinc/28/53/44/642285344.db2.gz	RFEUSGSSSNJSOY-AWEZNQCLSA-N	-1	0	282.299	2.730	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000874419600	642381862	/nfs/dbraw/zinc/38/18/62/642381862.db2.gz	BUDWEZYNLOOHDB-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1ccc(F)cc1-c1ccc(OCC(=O)[O-])c(C=O)c1	ZINC000874969177	642566661	/nfs/dbraw/zinc/56/66/61/642566661.db2.gz	IOQNXZNMUPWWPO-UHFFFAOYSA-N	-1	0	299.257	2.640	20	30		CFEDRM
O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055444	650794490	/nfs/dbraw/zinc/79/44/90/650794490.db2.gz	FXVQXUIHBZRQLI-UHFFFAOYSA-N	-1	0	285.340	2.597	20	30		CFEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)s1	ZINC000086055104	650794500	/nfs/dbraw/zinc/79/45/00/650794500.db2.gz	YJXNBCQHJXTPQX-UHFFFAOYSA-N	-1	0	287.406	2.888	20	30		CFEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086055445	650794744	/nfs/dbraw/zinc/79/47/44/650794744.db2.gz	FCFFKKVIGFGKJU-UHFFFAOYSA-N	-1	0	281.377	2.826	20	30		CFEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086056456	650795492	/nfs/dbraw/zinc/79/54/92/650795492.db2.gz	DMNXCUXAMHPAGF-UHFFFAOYSA-N	-1	0	259.371	2.796	20	30		CFEDRM
N#CCN(Cc1ccc(F)c(F)c1[O-])C1CCCC1	ZINC000876755168	642996003	/nfs/dbraw/zinc/99/60/03/642996003.db2.gz	KXYSMEVLETXBBS-UHFFFAOYSA-N	-1	0	266.291	2.939	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2c(F)cccc2F)c1	ZINC000088401193	650812008	/nfs/dbraw/zinc/81/20/08/650812008.db2.gz	SHDIJRSCDKREQN-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCO1	ZINC000088813785	650821240	/nfs/dbraw/zinc/82/12/40/650821240.db2.gz	YKVYVDLSTIXJHI-NEPJUHHUSA-N	-1	0	291.413	2.668	20	30		CFEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C#N)cn3)c(=O)c2C1	ZINC000887295199	647262507	/nfs/dbraw/zinc/26/25/07/647262507.db2.gz	ZRWBYSDDVWBTOX-OLZOCXBDSA-N	-1	0	282.347	2.728	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000887325428	647272221	/nfs/dbraw/zinc/27/22/21/647272221.db2.gz	PETDTDVNZDAHQL-UHFFFAOYSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926566462	648535496	/nfs/dbraw/zinc/53/54/96/648535496.db2.gz	BCROLXQDDQHJAD-NXEZZACHSA-N	-1	0	277.748	2.743	20	30		CFEDRM
N#C[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000928218639	648875962	/nfs/dbraw/zinc/87/59/62/648875962.db2.gz	IQLGWTKALVCIGZ-MRVPVSSYSA-N	-1	0	282.702	2.560	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](CCC)c1ccccc1	ZINC000929026878	648974524	/nfs/dbraw/zinc/97/45/24/648974524.db2.gz	VHSCIWCQPTUXIP-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
N#C[C@H](NC(=O)c1cccc(F)c1[O-])C1CCCCC1	ZINC000934135506	649754357	/nfs/dbraw/zinc/75/43/57/649754357.db2.gz	VQRSNOLQVQOYQX-ZDUSSCGKSA-N	-1	0	276.311	2.734	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1	ZINC000119698158	651299918	/nfs/dbraw/zinc/29/99/18/651299918.db2.gz	DJCUWYIINUKXCT-OAHLLOKOSA-N	-1	0	284.359	2.630	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243508154	782244936	/nfs/dbraw/zinc/24/49/36/782244936.db2.gz	BRJNDIALYNQUOQ-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1cc(F)cc(F)c1[O-]	ZINC001243505264	782241601	/nfs/dbraw/zinc/24/16/01/782241601.db2.gz	VTRHPHPERMJMCP-UHFFFAOYSA-N	-1	0	290.269	2.648	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1cc(F)cc(F)c1[O-]	ZINC001243505350	782241689	/nfs/dbraw/zinc/24/16/89/782241689.db2.gz	REJYBHZABOXBDJ-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243515817	782249603	/nfs/dbraw/zinc/24/96/03/782249603.db2.gz	YILXNAJJRSVLAJ-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])c(F)c2F)cc1F	ZINC001243515638	782249621	/nfs/dbraw/zinc/24/96/21/782249621.db2.gz	UYOLLBZUTCAMOF-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229239742	776763025	/nfs/dbraw/zinc/76/30/25/776763025.db2.gz	PONXCRUUGLFQBI-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
C=CCC[C@H](CC)OCCCC[P@@](=O)([O-])O	ZINC001225019026	778815190	/nfs/dbraw/zinc/81/51/90/778815190.db2.gz	PCPPNQHXYXZWHR-NSHDSACASA-N	-1	0	250.275	2.706	20	30		CFEDRM
C#Cc1ccc(Nc2cccc(C(=O)[O-])c2F)cn1	ZINC001210240466	770247592	/nfs/dbraw/zinc/24/75/92/770247592.db2.gz	RVFGFGRTAJEGRC-UHFFFAOYSA-N	-1	0	256.236	2.644	20	30		CFEDRM
CCOC(=O)c1nnsc1[N-]c1ccc(C#N)c(C)c1	ZINC001210806115	770377161	/nfs/dbraw/zinc/37/71/61/770377161.db2.gz	QZPPVDOTLHOMKK-UHFFFAOYSA-N	-1	0	288.332	2.639	20	30		CFEDRM
N#Cc1cn(-c2ccccc2C(=O)[O-])c2cc(N)ccc12	ZINC001210968085	770406995	/nfs/dbraw/zinc/40/69/95/770406995.db2.gz	DCHQCTXPLCJBRS-UHFFFAOYSA-N	-1	0	277.283	2.783	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccncc1	ZINC000588386320	770469777	/nfs/dbraw/zinc/46/97/77/770469777.db2.gz	FERNYGYFYJXDOR-RQOWECAXSA-N	-1	0	270.244	2.592	20	30		CFEDRM
Cc1c(C)n(-c2ccc(C(=O)[O-])cc2C)c(N)c1C#N	ZINC001211616371	775251776	/nfs/dbraw/zinc/25/17/76/775251776.db2.gz	JJQBLOCHKAOXGL-UHFFFAOYSA-N	-1	0	269.304	2.555	20	30		CFEDRM
COC(=O)c1ccc(C=CC(=O)c2sccc2[O-])o1	ZINC000588599285	775262838	/nfs/dbraw/zinc/26/28/38/775262838.db2.gz	WUJMPYDDIFUNGG-RQOWECAXSA-N	-1	0	278.285	2.729	20	30		CFEDRM
O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)c1ccccc1[O-]	ZINC000588615375	775292543	/nfs/dbraw/zinc/29/25/43/775292543.db2.gz	CDNSYVHNHRKCMZ-ALCCZGGFSA-N	-1	0	295.294	2.619	20	30		CFEDRM
C#C[C@H](CCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019174	775338018	/nfs/dbraw/zinc/33/80/18/775338018.db2.gz	UGOULYBTAXMFHZ-GFCCVEGCSA-N	-1	0	262.286	2.543	20	30		CFEDRM
C#C[C@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518260	775489135	/nfs/dbraw/zinc/48/91/35/775489135.db2.gz	WAPVFZQERCLUJB-LLVKDONJSA-N	-1	0	268.334	2.504	20	30		CFEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ccc([S-])cc1	ZINC001225555405	775498512	/nfs/dbraw/zinc/49/85/12/775498512.db2.gz	MWVMQLAEBVJWQJ-LLVKDONJSA-N	-1	0	265.334	2.590	20	30		CFEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1ccc([S-])cc1	ZINC001225554445	775498713	/nfs/dbraw/zinc/49/87/13/775498713.db2.gz	DFXLVBBYUZPVNV-NSHDSACASA-N	-1	0	250.319	2.964	20	30		CFEDRM
C=C[C@@H]1O[C@@H](Oc2ccccc2[S-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001225588956	775513582	/nfs/dbraw/zinc/51/35/82/775513582.db2.gz	XZMUOHKWUIFTIX-HBEIAFGSSA-N	-1	0	294.372	2.785	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[n-]1	ZINC001226159502	775721171	/nfs/dbraw/zinc/72/11/71/775721171.db2.gz	OFYWHWKOJSWEPS-AWEZNQCLSA-N	-1	0	268.316	2.700	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1nc(C)cc(=O)[n-]1	ZINC001226159503	775721205	/nfs/dbraw/zinc/72/12/05/775721205.db2.gz	OFYWHWKOJSWEPS-CQSZACIVSA-N	-1	0	268.316	2.700	20	30		CFEDRM
Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226222438	775740876	/nfs/dbraw/zinc/74/08/76/775740876.db2.gz	BBLWVRPHSIILFK-SNVBAGLBSA-N	-1	0	287.294	2.950	20	30		CFEDRM
Cc1cc(=O)[n-]c(OCc2cccnc2OC(C)C)c1C#N	ZINC001226222631	775741697	/nfs/dbraw/zinc/74/16/97/775741697.db2.gz	FEXWVMSORTVRMQ-UHFFFAOYSA-N	-1	0	299.330	2.729	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C#N)c2ccccc2F)c1C#N	ZINC001226223964	775742326	/nfs/dbraw/zinc/74/23/26/775742326.db2.gz	WURAYTBVAARFKO-ZDUSSCGKSA-N	-1	0	283.262	2.750	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCC(F)(F)C2)c1C#N	ZINC001226223377	775742543	/nfs/dbraw/zinc/74/25/43/775742543.db2.gz	PJBWAMPNLHSFSL-QMMMGPOBSA-N	-1	0	254.236	2.534	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226335606	775784161	/nfs/dbraw/zinc/78/41/61/775784161.db2.gz	JLVOQQIIUHUHGF-NHCYSSNCSA-N	-1	0	293.323	2.850	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc(C)[n-]c(=O)c1F	ZINC001226418895	775811745	/nfs/dbraw/zinc/81/17/45/775811745.db2.gz	DXSNHFNAEKFKIX-JTQLQIEISA-N	-1	0	252.289	2.591	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556902	775872673	/nfs/dbraw/zinc/87/26/73/775872673.db2.gz	TVKJYDBVOZGTLI-ZETCQYMHSA-N	-1	0	265.700	2.727	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226557124	775873323	/nfs/dbraw/zinc/87/33/23/775873323.db2.gz	XMCWCOHSHYSKBS-VIFPVBQESA-N	-1	0	291.738	2.955	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226557123	775873525	/nfs/dbraw/zinc/87/35/25/775873525.db2.gz	XMCWCOHSHYSKBS-SECBINFHSA-N	-1	0	291.738	2.955	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226692851	775922265	/nfs/dbraw/zinc/92/22/65/775922265.db2.gz	RMBOUAJEVFBLSA-SNVBAGLBSA-N	-1	0	274.324	2.639	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2cnncc21	ZINC001226692850	775923336	/nfs/dbraw/zinc/92/33/36/775923336.db2.gz	RMBOUAJEVFBLSA-JTQLQIEISA-N	-1	0	274.324	2.639	20	30		CFEDRM
CC#CC[C@H](CC)Oc1nc[n-]c(=O)c1Br	ZINC001226722116	775938205	/nfs/dbraw/zinc/93/82/05/775938205.db2.gz	OJZQBBLFLKJVOF-QMMMGPOBSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784115	775964007	/nfs/dbraw/zinc/96/40/07/775964007.db2.gz	DPIAAYLWABSSTQ-MRVPVSSYSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cnccc21)[C@H](CC)CCCC	ZINC001226973911	776040201	/nfs/dbraw/zinc/04/02/01/776040201.db2.gz	KIMYXTOPYNZMTB-DOMZBBRYSA-N	-1	0	299.374	2.915	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2cnccc21)C(=C)C	ZINC001226975961	776042910	/nfs/dbraw/zinc/04/29/10/776042910.db2.gz	GAKLHWAPOROIEN-CYBMUJFWSA-N	-1	0	271.320	2.608	20	30		CFEDRM
Cc1[n-]c(=O)nc(O[C@@H](C)C#C[Si](C)(C)C)c1Cl	ZINC001227111827	776102095	/nfs/dbraw/zinc/10/20/95/776102095.db2.gz	REYLRYXYKKDAJF-QMMMGPOBSA-N	-1	0	284.819	2.792	20	30		CFEDRM
Cc1[n-]c(=O)nc(O[C@H](C)C#C[Si](C)(C)C)c1Cl	ZINC001227111824	776102178	/nfs/dbraw/zinc/10/21/78/776102178.db2.gz	REYLRYXYKKDAJF-MRVPVSSYSA-N	-1	0	284.819	2.792	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227346552	776181433	/nfs/dbraw/zinc/18/14/33/776181433.db2.gz	JYOKFGFSBDIXLD-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2ccccc2c1	ZINC000124669480	776213362	/nfs/dbraw/zinc/21/33/62/776213362.db2.gz	CVGPWJLSYCBWCE-INIZCTEOSA-N	-1	0	292.338	2.785	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611901	776242262	/nfs/dbraw/zinc/24/22/62/776242262.db2.gz	UAHITQILLRMQCR-SECBINFHSA-N	-1	0	289.360	2.775	20	30		CFEDRM
C=CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)C(C)C	ZINC001227696524	776261278	/nfs/dbraw/zinc/26/12/78/776261278.db2.gz	YGZBWYAIKLWWEH-JTQLQIEISA-N	-1	0	276.296	2.846	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715811	776269061	/nfs/dbraw/zinc/26/90/61/776269061.db2.gz	HAHGAAUXUMMMHY-BDAKNGLRSA-N	-1	0	250.298	2.507	20	30		CFEDRM
CC#C[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227742954	776275232	/nfs/dbraw/zinc/27/52/32/776275232.db2.gz	GBZFBNLHVWAVEC-JTQLQIEISA-N	-1	0	259.265	2.652	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227783675	776289192	/nfs/dbraw/zinc/28/91/92/776289192.db2.gz	ODGNAGJUOKCJMC-NSHDSACASA-N	-1	0	279.336	2.675	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228006134	776358928	/nfs/dbraw/zinc/35/89/28/776358928.db2.gz	ZHACMRWKAMGWBF-LLVKDONJSA-N	-1	0	271.320	2.691	20	30		CFEDRM
C#C[C@H](Oc1cc(O)cc(O)c1C(=O)CC)c1ccncc1	ZINC001228553292	776518991	/nfs/dbraw/zinc/51/89/91/776518991.db2.gz	AHGFZGJGRQKBNH-HNNXBMFYSA-N	-1	0	297.310	2.839	20	30		CFEDRM
C[C@H](COc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228898949	776649662	/nfs/dbraw/zinc/64/96/62/776649662.db2.gz	PIIAKSHDXDSSBW-LLVKDONJSA-N	-1	0	270.288	2.505	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCC(=O)c2ccccc21	ZINC001228898781	776649766	/nfs/dbraw/zinc/64/97/66/776649766.db2.gz	LPIRPWRONAZOAC-AWEZNQCLSA-N	-1	0	280.283	2.755	20	30		CFEDRM
COc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228902162	776651309	/nfs/dbraw/zinc/65/13/09/776651309.db2.gz	QKUZOPGUIOMOQS-SNVBAGLBSA-N	-1	0	270.288	2.807	20	30		CFEDRM
COc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)c(F)c1	ZINC001228903597	776653087	/nfs/dbraw/zinc/65/30/87/776653087.db2.gz	YZWLMKLVTBEXOE-SECBINFHSA-N	-1	0	288.278	2.947	20	30		CFEDRM
C[C@@H](Oc1cc([N+](=O)[O-])ccc1C#N)C1=CC=C[CH]1	ZINC001228925812	776658851	/nfs/dbraw/zinc/65/88/51/776658851.db2.gz	AKXOTUOXYQALSZ-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973851	776674343	/nfs/dbraw/zinc/67/43/43/776674343.db2.gz	NQMCAORTCFXAIU-NSHDSACASA-N	-1	0	291.303	2.989	20	30		CFEDRM
C=C[C@@H](CC)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001229626946	776858734	/nfs/dbraw/zinc/85/87/34/776858734.db2.gz	UWNCGKDHCYOOPH-WCQYABFASA-N	-1	0	291.372	2.924	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2ncc(C(=O)OC)[n-]2)C1	ZINC001230279071	776970060	/nfs/dbraw/zinc/97/00/60/776970060.db2.gz	BWTGIMGLEWAOKG-DGCLKSJQSA-N	-1	0	276.336	2.876	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889218	777083286	/nfs/dbraw/zinc/08/32/86/777083286.db2.gz	SRNJZTFYCREWKN-BXUZGUMPSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074451	777132319	/nfs/dbraw/zinc/13/23/19/777132319.db2.gz	OBESYVJTWZWBJS-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074452	777132606	/nfs/dbraw/zinc/13/26/06/777132606.db2.gz	OBESYVJTWZWBJS-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C#N	ZINC000711046145	777164521	/nfs/dbraw/zinc/16/45/21/777164521.db2.gz	NTYUOGRHPXCPQI-UHFFFAOYSA-N	-1	0	290.266	2.505	20	30		CFEDRM
C=C[C@@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231222830	777173709	/nfs/dbraw/zinc/17/37/09/777173709.db2.gz	AZUQKOWPSUZZAR-ZETCQYMHSA-N	-1	0	268.225	2.552	20	30		CFEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)C#C[Si](C)(C)C)[n-]1	ZINC001231265117	777181214	/nfs/dbraw/zinc/18/12/14/777181214.db2.gz	YOVNCNCTBXHPIC-JTQLQIEISA-N	-1	0	294.383	2.652	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231350158	777199240	/nfs/dbraw/zinc/19/92/40/777199240.db2.gz	RJRNURFPJFGUQR-VIFPVBQESA-N	-1	0	260.293	2.687	20	30		CFEDRM
COc1cc(/C=N/O)ccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001233803269	778082319	/nfs/dbraw/zinc/08/23/19/778082319.db2.gz	MJOZOLRBRVXZHS-YAFRSCOQSA-N	-1	0	258.297	2.971	20	30		CFEDRM
C#CC[C@@H](C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911615	778208107	/nfs/dbraw/zinc/20/81/07/778208107.db2.gz	FVCUTKCBJLUGEB-MRVPVSSYSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C=C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)C(=O)OC	ZINC001234423723	778223475	/nfs/dbraw/zinc/22/34/75/778223475.db2.gz	FWZWCJCZYLYOSE-SECBINFHSA-N	-1	0	281.358	2.691	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(F)(F)F	ZINC001234511941	778240872	/nfs/dbraw/zinc/24/08/72/778240872.db2.gz	YVZWCBVGRWLZMX-ZCFIWIBFSA-N	-1	0	283.209	2.537	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234516167	778241008	/nfs/dbraw/zinc/24/10/08/778241008.db2.gz	QLDOWPWODOWLKF-SECBINFHSA-N	-1	0	255.277	2.550	20	30		CFEDRM
Cc1cc(=O)c2c(O[C@@H]3CC[C@@H](C#N)C3)cc([O-])cc2o1	ZINC001234812433	778300056	/nfs/dbraw/zinc/30/00/56/778300056.db2.gz	JEKDSYVQGIVVBQ-ZYHUDNBSSA-N	-1	0	285.299	2.878	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000159710241	778578709	/nfs/dbraw/zinc/57/87/09/778578709.db2.gz	OOZYDVVDJVMNEW-CYBMUJFWSA-N	-1	0	288.347	2.582	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)c(C#N)c1	ZINC001236061379	778673882	/nfs/dbraw/zinc/67/38/82/778673882.db2.gz	VVUJEXSMDCLDLL-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
Cc1c(Cl)c(-c2cncc(C#N)n2)ccc1C(=O)[O-]	ZINC001236107953	778697607	/nfs/dbraw/zinc/69/76/07/778697607.db2.gz	JYKPIXVXNDQBDT-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2F)nn1	ZINC001236145133	778716252	/nfs/dbraw/zinc/71/62/52/778716252.db2.gz	YKAJRVDIBBPRSZ-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
Cc1ccc(F)c(-c2ncc(C#N)cc2C#N)c1[O-]	ZINC001236391528	778799908	/nfs/dbraw/zinc/79/99/08/778799908.db2.gz	JNWGPLLITJIFPM-UHFFFAOYSA-N	-1	0	253.236	2.645	20	30		CFEDRM
Cn1cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176396552	779122267	/nfs/dbraw/zinc/12/22/67/779122267.db2.gz	YXAXPXDFAPYEPK-UHFFFAOYSA-N	-1	0	275.695	2.508	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(F)c(C(=O)[O-])c2F)c1	ZINC001205106158	779223724	/nfs/dbraw/zinc/22/37/24/779223724.db2.gz	AANNBEUDAOAYKE-UHFFFAOYSA-N	-1	0	292.216	2.930	20	30		CFEDRM
Cc1cc(C#N)nc(N[C@H](c2ccccn2)C(F)(F)F)n1	ZINC001168476054	779255342	/nfs/dbraw/zinc/25/53/42/779255342.db2.gz	BESGGYSUIIPKLZ-LLVKDONJSA-N	-1	0	293.252	2.767	20	30		CFEDRM
N#Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cn1	ZINC001235458701	779355533	/nfs/dbraw/zinc/35/55/33/779355533.db2.gz	LOPFLIWQHQNERC-FPYGCLRLSA-N	-1	0	250.257	2.718	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239249693	779483983	/nfs/dbraw/zinc/48/39/83/779483983.db2.gz	HAUWPSVJPVOCNW-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2F)cnc1F	ZINC001239261362	779489376	/nfs/dbraw/zinc/48/93/76/779489376.db2.gz	GBZKDCLYSMLGQU-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1c(F)cc(-c2ccc(S(=O)(=O)[O-])cc2)cc1F	ZINC001239930808	779867447	/nfs/dbraw/zinc/86/74/47/779867447.db2.gz	AQWYXLDQHCXXRQ-UHFFFAOYSA-N	-1	0	295.266	2.750	20	30		CFEDRM
COc1nc(-c2cccc(/C=C/C(=O)[O-])c2)ccc1C#N	ZINC001240547506	780241402	/nfs/dbraw/zinc/24/14/02/780241402.db2.gz	XIWAJKBZXNTVHD-VMPITWQZSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240547715	780241784	/nfs/dbraw/zinc/24/17/84/780241784.db2.gz	VNHXNJYLPRDPLS-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2cc(F)ccc2[O-])n1	ZINC001240694554	780365388	/nfs/dbraw/zinc/36/53/88/780365388.db2.gz	XWULEKGVYGJZRM-UHFFFAOYSA-N	-1	0	260.268	2.862	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cc(F)ccc1[O-])CCC2	ZINC001240696409	780367961	/nfs/dbraw/zinc/36/79/61/780367961.db2.gz	OXKSXZNEUZAZPW-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc2c(cc1C#N)CCC2	ZINC001240735636	780402804	/nfs/dbraw/zinc/40/28/04/780402804.db2.gz	KSJXCXXHROBFEJ-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C#N)cc(C#N)c1	ZINC001240738006	780404912	/nfs/dbraw/zinc/40/49/12/780404912.db2.gz	XHTHYVWYOSZYBF-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
COc1cc(-c2cc(C#N)nc(C3CC3)n2)ccc1C(=O)[O-]	ZINC001240743381	780408909	/nfs/dbraw/zinc/40/89/09/780408909.db2.gz	MAUMDTICSSMNCM-UHFFFAOYSA-N	-1	0	295.298	2.599	20	30		CFEDRM
COc1cc(-c2cnc3[nH]cc(C#N)c3c2)ccc1C(=O)[O-]	ZINC001240744377	780409608	/nfs/dbraw/zinc/40/96/08/780409608.db2.gz	BIXWBEOZXVKXEQ-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cc(-c2ccnc(CC#N)c2)ccc1C(=O)[O-]	ZINC001240746078	780411215	/nfs/dbraw/zinc/41/12/15/780411215.db2.gz	SZFKECXUBNJCTL-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#CC1(c2ccc(-c3ccc(CC(=O)[O-])cc3)nc2)CC1	ZINC001240971667	780560380	/nfs/dbraw/zinc/56/03/80/780560380.db2.gz	GWXGPSNPXDSING-UHFFFAOYSA-N	-1	0	278.311	2.931	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnccc1CC#N	ZINC001241003272	780586817	/nfs/dbraw/zinc/58/68/17/780586817.db2.gz	MOZAKPLCPMHGER-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cnc1C#N	ZINC001212511966	780616857	/nfs/dbraw/zinc/61/68/57/780616857.db2.gz	OCAOEXUHOUEHCQ-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1O	ZINC001212515436	780625019	/nfs/dbraw/zinc/62/50/19/780625019.db2.gz	WPRABMOCXKGLBU-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
CSc1ncc(C#N)c(-c2c(F)cc([O-])cc2F)n1	ZINC001241117573	780646054	/nfs/dbraw/zinc/64/60/54/780646054.db2.gz	SJLIQGCZAYEUGZ-UHFFFAOYSA-N	-1	0	279.271	2.721	20	30		CFEDRM
COc1nc(-c2c(F)cc([O-])cc2F)c(F)cc1C#N	ZINC001241120427	780648523	/nfs/dbraw/zinc/64/85/23/780648523.db2.gz	UJGRZTRSTCXKJH-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])c(F)c1)CCOC2	ZINC001241184326	780689000	/nfs/dbraw/zinc/68/90/00/780689000.db2.gz	CFUWFELXSSKNBJ-UHFFFAOYSA-N	-1	0	298.273	2.530	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241186296	780690813	/nfs/dbraw/zinc/69/08/13/780690813.db2.gz	GPXCEXDLEIBODM-UHFFFAOYSA-N	-1	0	255.248	2.957	20	30		CFEDRM
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1F	ZINC001241244415	780728631	/nfs/dbraw/zinc/72/86/31/780728631.db2.gz	IOZQZDKBZXOVRN-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241247362	780732545	/nfs/dbraw/zinc/73/25/45/780732545.db2.gz	QJLXAGCURDMLDH-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#CCc1nccnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241345837	780800274	/nfs/dbraw/zinc/80/02/74/780800274.db2.gz	RODFHJZWHAUCIG-UHFFFAOYSA-N	-1	0	273.679	2.561	20	30		CFEDRM
Cc1nc(C#N)cc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241348463	780801544	/nfs/dbraw/zinc/80/15/44/780801544.db2.gz	UNADFOUVSWDEDY-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
C=CCOc1ccc(-c2cccc(C(=O)[O-])c2)nc1C#N	ZINC001241358157	780807204	/nfs/dbraw/zinc/80/72/04/780807204.db2.gz	QHELCNGYWDFOTP-UHFFFAOYSA-N	-1	0	280.283	2.883	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1cccc(O)c1F	ZINC001212547744	781040113	/nfs/dbraw/zinc/04/01/13/781040113.db2.gz	YUUWLRWMDCCUSM-UHFFFAOYSA-N	-1	0	250.254	2.914	20	30		CFEDRM
CCCCCCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000703715291	781049093	/nfs/dbraw/zinc/04/90/93/781049093.db2.gz	AXEPXMKCSZDQLD-NWDGAFQWSA-N	-1	0	270.373	2.509	20	30		CFEDRM
CCCCCCCNC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000703724630	781052487	/nfs/dbraw/zinc/05/24/87/781052487.db2.gz	WZJXPZUMWVIVRT-GFCCVEGCSA-N	-1	0	272.389	2.613	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000703729099	781052813	/nfs/dbraw/zinc/05/28/13/781052813.db2.gz	YJFFBXYVSAEIIU-UHFFFAOYSA-N	-1	0	284.400	2.853	20	30		CFEDRM
CCCCCCCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000703735876	781053659	/nfs/dbraw/zinc/05/36/59/781053659.db2.gz	ULRRXWLHIQPGLC-UHFFFAOYSA-N	-1	0	257.374	2.964	20	30		CFEDRM
N#CCc1cc(F)ccc1-c1cncc(C(=O)[O-])c1	ZINC001241804443	781136459	/nfs/dbraw/zinc/13/64/59/781136459.db2.gz	UUPRHAVCKGLHCD-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC001241821711	781144907	/nfs/dbraw/zinc/14/49/07/781144907.db2.gz	VDCWZPNIBLMNFG-UHFFFAOYSA-N	-1	0	283.262	2.730	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3cc(F)cc(C(=O)[O-])c3)cc12	ZINC001241833513	781148365	/nfs/dbraw/zinc/14/83/65/781148365.db2.gz	AIJDBYHALHVLJT-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1ccc(-c2cc(C#N)c(C)cn2)cc1C(=O)[O-]	ZINC001241864735	781157297	/nfs/dbraw/zinc/15/72/97/781157297.db2.gz	DLLUYTIXLVKJQK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cnc(F)c(C#N)c1	ZINC001242210008	781327896	/nfs/dbraw/zinc/32/78/96/781327896.db2.gz	CAKFINNUZZTGSM-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(F)cc2[O-])n1	ZINC001242216057	781331249	/nfs/dbraw/zinc/33/12/49/781331249.db2.gz	OAVPLRZHUHISEQ-UHFFFAOYSA-N	-1	0	260.268	2.862	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(F)cc2[O-])n1	ZINC001242216451	781332700	/nfs/dbraw/zinc/33/27/00/781332700.db2.gz	UTOAPPMEHOAYIR-UHFFFAOYSA-N	-1	0	261.281	2.582	20	30		CFEDRM
Cc1ccc(-c2cccc(CC(=O)[O-])c2)nc1C#N	ZINC001242262223	781347327	/nfs/dbraw/zinc/34/73/27/781347327.db2.gz	SPPRKGNQJVCLHB-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1cnc(-c2cccc(CC(=O)[O-])c2)cc1C#N	ZINC001242263049	781347902	/nfs/dbraw/zinc/34/79/02/781347902.db2.gz	SEBBQYPZMHGISU-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
O=C([O-])Cc1cccc(-c2cccc(/C=N/O)c2)c1	ZINC001242263990	781348909	/nfs/dbraw/zinc/34/89/09/781348909.db2.gz	RDSBPLZRSFIMGW-MHWRWJLKSA-N	-1	0	255.273	2.789	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc(CC(=O)[O-])c1	ZINC001242264703	781349208	/nfs/dbraw/zinc/34/92/08/781349208.db2.gz	ADMKJTXTBCOEGQ-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
Cc1cc(-c2ccc(F)cc2C#N)cnc1C(=O)[O-]	ZINC001242585249	781618988	/nfs/dbraw/zinc/61/89/88/781618988.db2.gz	LYFRUNGJKUDMFE-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)c(C#N)c1	ZINC001242594935	781626654	/nfs/dbraw/zinc/62/66/54/781626654.db2.gz	ZCXASEFJNGAIRR-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3cccc([O-])c3Cl)c12	ZINC001242798654	781764770	/nfs/dbraw/zinc/76/47/70/781764770.db2.gz	OAYLBWPJIZPLKU-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3cccc([S-])c3)c12	ZINC001242865252	781810306	/nfs/dbraw/zinc/81/03/06/781810306.db2.gz	RZVQAHUGPVJUFH-UHFFFAOYSA-N	-1	0	252.302	2.785	20	30		CFEDRM
N#CC[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230015699	781840420	/nfs/dbraw/zinc/84/04/20/781840420.db2.gz	AHUBYKBCJCZOFY-JTQLQIEISA-N	-1	0	275.695	2.869	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ncccc1CC#N	ZINC001242921264	781842902	/nfs/dbraw/zinc/84/29/02/781842902.db2.gz	UARVYRRUQVXSNP-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(CC#N)n1	ZINC001242921302	781843676	/nfs/dbraw/zinc/84/36/76/781843676.db2.gz	PGBZTJNOMIQBAH-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(NC[C@H](C)C(=O)[O-])c2c1	ZINC000594541127	349444180	/nfs/dbraw/zinc/44/41/80/349444180.db2.gz	PFKIUHMMDBBJJO-NSHDSACASA-N	-1	0	297.358	2.784	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NC[C@H](C(=O)[O-])C(C)C	ZINC000594541082	349444347	/nfs/dbraw/zinc/44/43/47/349444347.db2.gz	OTRYLJOVZOKELI-AWEZNQCLSA-N	-1	0	297.358	2.606	20	30		CFEDRM
N#Cc1cc(-c2nc3n(c2C(=O)[O-])CCCC3)cs1	ZINC000594872111	349491683	/nfs/dbraw/zinc/49/16/83/349491683.db2.gz	QWXOKECNPNSPIU-UHFFFAOYSA-N	-1	0	273.317	2.518	20	30		CFEDRM
C[C@H](CC(=O)[O-])n1cc(-c2ccsc2C#N)cn1	ZINC000594872147	349491805	/nfs/dbraw/zinc/49/18/05/349491805.db2.gz	YCYMMKGNRBDPIO-MRVPVSSYSA-N	-1	0	261.306	2.519	20	30		CFEDRM
CCN=c1[n-]nc(SCCc2ccc(C#N)cc2)s1	ZINC000594882243	349492365	/nfs/dbraw/zinc/49/23/65/349492365.db2.gz	RSKYCJXKLHZEAC-UHFFFAOYSA-N	-1	0	290.417	2.598	20	30		CFEDRM
Cc1cc(NCCC(C)(C)C(=O)[O-])cc(C#N)c1[N+](=O)[O-]	ZINC000595968946	349773037	/nfs/dbraw/zinc/77/30/37/349773037.db2.gz	MQSZONPTSVOXOV-UHFFFAOYSA-N	-1	0	291.307	2.688	20	30		CFEDRM
N#Cc1cc(F)c(NC[C@@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000595977307	349773874	/nfs/dbraw/zinc/77/38/74/349773874.db2.gz	HDQWEBMJROTPIG-SNVBAGLBSA-N	-1	0	280.274	2.749	20	30		CFEDRM
CC(C)CCOCCN=c1[n-]c(C#N)c(Cl)s1	ZINC000596092056	349792638	/nfs/dbraw/zinc/79/26/38/349792638.db2.gz	JCEIKGUOPGLVJU-UHFFFAOYSA-N	-1	0	273.789	2.565	20	30		CFEDRM
CC1(C)CCC[C@](O)(CN=c2[n-]c(C#N)c(Cl)s2)C1	ZINC000596203160	349825752	/nfs/dbraw/zinc/82/57/52/349825752.db2.gz	MTKVLBNYLJHJAB-CYBMUJFWSA-N	-1	0	299.827	2.833	20	30		CFEDRM
CC[C@H](N=c1[n-]c(C#N)c(Cl)s1)C(F)F	ZINC000596254379	349842213	/nfs/dbraw/zinc/84/22/13/349842213.db2.gz	CFFSQYWQLIFHIR-BYPYZUCNSA-N	-1	0	251.689	2.546	20	30		CFEDRM
CC[C@H](COCC1CC1)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596325575	349863855	/nfs/dbraw/zinc/86/38/55/349863855.db2.gz	BDRXZYFZTVRGKC-SECBINFHSA-N	-1	0	285.800	2.707	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C2CC2)s1	ZINC000596413113	349894728	/nfs/dbraw/zinc/89/47/28/349894728.db2.gz	FDHCGPBARLXYLV-UHFFFAOYSA-N	-1	0	255.412	2.559	20	30		CFEDRM
C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000076761062	347152057	/nfs/dbraw/zinc/15/20/57/347152057.db2.gz	QDYXGNRNGWCBBY-GHMZBOCLSA-N	-1	0	282.365	2.553	20	30		CFEDRM
N#Cc1c(F)cccc1N1CCC(CCC(=O)[O-])CC1	ZINC000093396182	347673205	/nfs/dbraw/zinc/67/32/05/347673205.db2.gz	QBXJHSRIYSKMLH-UHFFFAOYSA-N	-1	0	276.311	2.779	20	30		CFEDRM
Cc1sc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000132681823	347886236	/nfs/dbraw/zinc/88/62/36/347886236.db2.gz	KOOBIKCUULPIMV-UWVGGRQHSA-N	-1	0	292.360	2.676	20	30		CFEDRM
N#Cc1c(Cl)cccc1NCC1(C(=O)[O-])CCC1	ZINC000138548740	347916622	/nfs/dbraw/zinc/91/66/22/347916622.db2.gz	IWQUQKBXPSCQQM-UHFFFAOYSA-N	-1	0	264.712	2.878	20	30		CFEDRM
CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163843260	348035179	/nfs/dbraw/zinc/03/51/79/348035179.db2.gz	SOMJGMFRPDDPMS-SNVBAGLBSA-N	-1	0	272.226	2.852	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1Cl	ZINC000235078342	348224414	/nfs/dbraw/zinc/22/44/14/348224414.db2.gz	GMBMUCGLNRJHBP-MRVPVSSYSA-N	-1	0	280.711	2.651	20	30		CFEDRM
C=C[C@@H](CC(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000535449488	348650617	/nfs/dbraw/zinc/65/06/17/348650617.db2.gz	FOFAOBRHPKIXRT-AWEZNQCLSA-N	-1	0	281.359	2.814	20	30		CFEDRM
N#Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1	ZINC000589368340	348830445	/nfs/dbraw/zinc/83/04/45/348830445.db2.gz	NEKKXLTXZJNPEC-UHFFFAOYSA-N	-1	0	282.234	2.515	20	30		CFEDRM
CCCc1nc(=N[C@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000589692094	348851478	/nfs/dbraw/zinc/85/14/78/348851478.db2.gz	SNGRJXRHQXBMMU-ZDUSSCGKSA-N	-1	0	284.388	2.884	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@@H](C)c2cccc(C#N)c2)o1	ZINC000590692272	348929144	/nfs/dbraw/zinc/92/91/44/348929144.db2.gz	KMOPLQKHOZAMOR-JTQLQIEISA-N	-1	0	256.309	2.660	20	30		CFEDRM
CC(C)c1n[n-]c(=NCc2ccc(C#N)c(Cl)c2)o1	ZINC000590701140	348930938	/nfs/dbraw/zinc/93/09/38/348930938.db2.gz	XWKXELFPWGGWML-UHFFFAOYSA-N	-1	0	276.727	2.752	20	30		CFEDRM
CCCN=c1[n-]nc(SCC(C)(C)CC#N)s1	ZINC000573817343	334969123	/nfs/dbraw/zinc/96/91/23/334969123.db2.gz	RHMXGKFVWXELNY-UHFFFAOYSA-N	-1	0	270.427	2.814	20	30		CFEDRM
N#Cc1cccc(Cl)c1NCCCCC(=O)[O-]	ZINC000591326925	349010402	/nfs/dbraw/zinc/01/04/02/349010402.db2.gz	MBWMEQMRFSMTJV-UHFFFAOYSA-N	-1	0	252.701	2.878	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@H]2N=c1[n-]nc(C2CC2)o1	ZINC000591370784	349013287	/nfs/dbraw/zinc/01/32/87/349013287.db2.gz	VBTDTDJUUMKHAL-CQSZACIVSA-N	-1	0	280.331	2.730	20	30		CFEDRM
Cc1c(Cl)cnc(N2CCC(C)(C(=O)[O-])CC2)c1C#N	ZINC000592419680	349117619	/nfs/dbraw/zinc/11/76/19/349117619.db2.gz	OYSXTXXIEPLCOY-UHFFFAOYSA-N	-1	0	293.754	2.606	20	30		CFEDRM
C=C(C)CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000592976850	349179425	/nfs/dbraw/zinc/17/94/25/349179425.db2.gz	AYIBAVKWAVXXOR-UHFFFAOYSA-N	-1	0	264.281	2.614	20	30		CFEDRM
C=CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000592791142	349166692	/nfs/dbraw/zinc/16/66/92/349166692.db2.gz	JTRUGAJCDUISGX-UHFFFAOYSA-N	-1	0	284.699	2.602	20	30		CFEDRM
CC[C@H](C)N(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000597855479	350143226	/nfs/dbraw/zinc/14/32/26/350143226.db2.gz	RPBFYCCTZADGCI-VIFPVBQESA-N	-1	0	293.392	2.641	20	30		CFEDRM
C[C@@]1(C#N)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000598420937	350266979	/nfs/dbraw/zinc/26/69/79/350266979.db2.gz	WVECBEKKFISNTL-ZDUSSCGKSA-N	-1	0	298.264	2.787	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000598420856	350267057	/nfs/dbraw/zinc/26/70/57/350267057.db2.gz	AYYKJQQJETZHKV-TXEJJXNPSA-N	-1	0	288.303	2.624	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000600172094	350529257	/nfs/dbraw/zinc/52/92/57/350529257.db2.gz	VBNYIUZZZJXNPD-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])CCCC1	ZINC000600876193	350622315	/nfs/dbraw/zinc/62/23/15/350622315.db2.gz	UCDQKEYIHWVMJG-UHFFFAOYSA-N	-1	0	297.314	2.889	20	30		CFEDRM
N#Cc1c[n-][nH]c1=NC(=O)c1cccc(C2CCCC2)c1	ZINC000601637991	350751625	/nfs/dbraw/zinc/75/16/25/350751625.db2.gz	ZPKGJRNNXFIRTB-UHFFFAOYSA-N	-1	0	280.331	2.613	20	30		CFEDRM
CC(C)(CCCc1ccccc1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601641096	350752265	/nfs/dbraw/zinc/75/22/65/350752265.db2.gz	OJLBEEAOTOBGLV-UHFFFAOYSA-N	-1	0	296.374	2.691	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C#N	ZINC000601982007	350823415	/nfs/dbraw/zinc/82/34/15/350823415.db2.gz	IREISAMJQZXCJD-ZJUUUORDSA-N	-1	0	292.360	2.758	20	30		CFEDRM
CC(C)(C)Cn1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601930095	350805284	/nfs/dbraw/zinc/80/52/84/350805284.db2.gz	AGWRINRRGTYZOC-UHFFFAOYSA-N	-1	0	255.321	2.541	20	30		CFEDRM
C[C@@H](CC#N)n1[n-]c(-c2ccc(Cl)cc2)cc1=O	ZINC000601935675	350808065	/nfs/dbraw/zinc/80/80/65/350808065.db2.gz	LMRCXIDPMZHYOM-VIFPVBQESA-N	-1	0	261.712	2.579	20	30		CFEDRM
Cc1[n-]n(-c2nccc3sccc32)c(=O)c1CCC#N	ZINC000601939274	350809967	/nfs/dbraw/zinc/80/99/67/350809967.db2.gz	NFNMCSHUTFKEFN-JTQLQIEISA-N	-1	0	284.344	2.939	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c(CCc3ccccc3)cc2=O)o1	ZINC000601940961	350811106	/nfs/dbraw/zinc/81/11/06/350811106.db2.gz	UZQPUNTVNAYGOY-UHFFFAOYSA-N	-1	0	294.314	2.580	20	30		CFEDRM
Cc1[n-]n(CCCOc2ccccc2)c(=O)c1CCC#N	ZINC000601940845	350811367	/nfs/dbraw/zinc/81/13/67/350811367.db2.gz	TWDJKASYUQGMRY-HNNXBMFYSA-N	-1	0	285.347	2.594	20	30		CFEDRM
Cc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1CCC#N	ZINC000601944104	350812531	/nfs/dbraw/zinc/81/25/31/350812531.db2.gz	JUIVGCYMKBNPFH-HNNXBMFYSA-N	-1	0	292.342	2.873	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(C)cc(C#N)c1	ZINC000602004890	350827924	/nfs/dbraw/zinc/82/79/24/350827924.db2.gz	YMQWLPLHYDNNET-HNNXBMFYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
C=CCSCCNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000602005616	350828185	/nfs/dbraw/zinc/82/81/85/350828185.db2.gz	IAIOTCBVLOMHCD-CQSZACIVSA-N	-1	0	287.425	2.549	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)CC1(CC#N)CC1	ZINC000602809352	351034155	/nfs/dbraw/zinc/03/41/55/351034155.db2.gz	BHTQZILJZJKAFC-UHFFFAOYSA-N	-1	0	288.376	2.523	20	30		CFEDRM
Cc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1CCC#N	ZINC000603921275	351192317	/nfs/dbraw/zinc/19/23/17/351192317.db2.gz	OLYWKKNTOONJKO-VIFPVBQESA-N	-1	0	296.252	2.743	20	30		CFEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)CC(C)(C)C	ZINC000603873369	351187836	/nfs/dbraw/zinc/18/78/36/351187836.db2.gz	ZVOWLJQLFGWWCX-VIFPVBQESA-N	-1	0	273.340	2.554	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cccc(C)c1C#N	ZINC000291907759	198102389	/nfs/dbraw/zinc/10/23/89/198102389.db2.gz	RVSJJYLPEUFJRL-UHFFFAOYSA-N	-1	0	264.350	2.575	20	30		CFEDRM
Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1[N+](=O)[O-]	ZINC000614357300	352084041	/nfs/dbraw/zinc/08/40/41/352084041.db2.gz	XKDCPBIOXAVNFK-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2ccncc2)s1	ZINC000619948856	353085608	/nfs/dbraw/zinc/08/56/08/353085608.db2.gz	QABBJZINRRRHFO-SECBINFHSA-N	-1	0	278.406	2.806	20	30		CFEDRM
C=CCCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000621582764	353381822	/nfs/dbraw/zinc/38/18/22/353381822.db2.gz	YCBZLSNXMGKWPH-KGLIPLIRSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=CCC1(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CCC1	ZINC000621612265	353384349	/nfs/dbraw/zinc/38/43/49/353384349.db2.gz	WVWOXWMFFTVYOM-VIFPVBQESA-N	-1	0	294.376	2.765	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000621617459	353384788	/nfs/dbraw/zinc/38/47/88/353384788.db2.gz	YLBUWMYKLSJXNJ-WWGRRREGSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000622162984	353488365	/nfs/dbraw/zinc/48/83/65/353488365.db2.gz	DNBAZTOHGLZWIL-UHFFFAOYSA-N	-1	0	267.398	2.699	20	30		CFEDRM
CCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000626283902	354244502	/nfs/dbraw/zinc/24/45/02/354244502.db2.gz	VBQWVGODOMHFAP-JTQLQIEISA-N	-1	0	294.314	2.614	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000626767038	354320929	/nfs/dbraw/zinc/32/09/29/354320929.db2.gz	XRAREPBUXUXGPS-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000628490452	354606089	/nfs/dbraw/zinc/60/60/89/354606089.db2.gz	YOQGCOMUKCNFRE-SECBINFHSA-N	-1	0	267.275	2.709	20	30		CFEDRM
C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000629772846	354927860	/nfs/dbraw/zinc/92/78/60/354927860.db2.gz	YEKZPKCPAZAFQU-HIFRSBDPSA-N	-1	0	289.375	2.794	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630229656	355030863	/nfs/dbraw/zinc/03/08/63/355030863.db2.gz	VGPPCYMKQBFGNC-UHFFFAOYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])s1	ZINC000630301364	355045872	/nfs/dbraw/zinc/04/58/72/355045872.db2.gz	KNXFOZYYLCUDES-VIFPVBQESA-N	-1	0	265.334	2.627	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000630313853	355048561	/nfs/dbraw/zinc/04/85/61/355048561.db2.gz	LIBBNWNFVYMYLI-JOCQHMNTSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C(=O)[O-])co1	ZINC000630314797	355048901	/nfs/dbraw/zinc/04/89/01/355048901.db2.gz	VKVZBSBUWHENQM-UHFFFAOYSA-N	-1	0	265.309	2.700	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1ccccc1Cl)C(=O)[O-]	ZINC000630316669	355048941	/nfs/dbraw/zinc/04/89/41/355048941.db2.gz	GEMUEEHEFFEAQT-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CSc1ccccc1C)C(=O)[O-]	ZINC000630318565	355049314	/nfs/dbraw/zinc/04/93/14/355049314.db2.gz	JDNQYJGFHDQCNB-GFCCVEGCSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000630319955	355049960	/nfs/dbraw/zinc/04/99/60/355049960.db2.gz	LRAZXCGNQGUNNC-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000630319456	355050009	/nfs/dbraw/zinc/05/00/09/355050009.db2.gz	AZJKIEYXHMSGDY-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-]	ZINC000630320093	355050051	/nfs/dbraw/zinc/05/00/51/355050051.db2.gz	OUEUAQQMGOHNJF-OAHLLOKOSA-N	-1	0	285.343	2.795	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1ccc(C)cc1C)C(=O)[O-]	ZINC000630319114	355050186	/nfs/dbraw/zinc/05/01/86/355050186.db2.gz	SGBVTQPETWZLGJ-HNNXBMFYSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000630318988	355050236	/nfs/dbraw/zinc/05/02/36/355050236.db2.gz	PNMKQEPUJIROJM-CQSZACIVSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C(=O)[O-]	ZINC000630322481	355051456	/nfs/dbraw/zinc/05/14/56/355051456.db2.gz	UAVXLNSXCNYVOZ-RRFJBIMHSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)[O-]	ZINC000630325068	355052582	/nfs/dbraw/zinc/05/25/82/355052582.db2.gz	GZPINSDISXMSNS-SDQPKGBYSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000630330771	355053794	/nfs/dbraw/zinc/05/37/94/355053794.db2.gz	DYDSPSGPTFNANT-SNVBAGLBSA-N	-1	0	293.367	2.515	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(SC)cc1)C(=O)[O-]	ZINC000630543187	355107508	/nfs/dbraw/zinc/10/75/08/355107508.db2.gz	CACCRYVAOXFSPY-LBPRGKRZSA-N	-1	0	294.376	2.949	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000630544042	355107673	/nfs/dbraw/zinc/10/76/73/355107673.db2.gz	FJJAWOZHIHKAKM-CQSZACIVSA-N	-1	0	288.347	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630546576	355108062	/nfs/dbraw/zinc/10/80/62/355108062.db2.gz	XNEVMXXMAOIIHM-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000630467725	355090540	/nfs/dbraw/zinc/09/05/40/355090540.db2.gz	HELJRHOLJNWFND-GFCCVEGCSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=CCCCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000630481500	355092967	/nfs/dbraw/zinc/09/29/67/355092967.db2.gz	LIIAMLGUITXLCT-UHFFFAOYSA-N	-1	0	280.368	2.524	20	30		CFEDRM
Cc1cc(N=c2s[n-]c(C)c2C#N)nn1[C@H](C)C1CC1	ZINC000329324418	202283066	/nfs/dbraw/zinc/28/30/66/202283066.db2.gz	IAJUOHMGCDGPRZ-SNVBAGLBSA-N	-1	0	287.392	2.965	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2occ3c2CCC3)nc(C)n1	ZINC000671749109	541072210	/nfs/dbraw/zinc/07/22/10/541072210.db2.gz	ACCBFTJLNQZLKC-CYBMUJFWSA-N	-1	0	281.315	2.665	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000192861345	189630895	/nfs/dbraw/zinc/63/08/95/189630895.db2.gz	XZMQHMTXVVNCHA-YPMHNXCESA-N	-1	0	261.321	2.531	20	30		CFEDRM
CCc1ncsc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442672737	240978122	/nfs/dbraw/zinc/97/81/22/240978122.db2.gz	PAGAKDZJXHGUEX-UHFFFAOYSA-N	-1	0	273.317	2.535	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cc(C(=O)[O-])cs2)nc1	ZINC000445540892	241223076	/nfs/dbraw/zinc/22/30/76/241223076.db2.gz	RMPZTOKWEBSUPL-ONEGZZNKSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000276232352	193251197	/nfs/dbraw/zinc/25/11/97/193251197.db2.gz	ZEMVGMUYAAJICP-OAHLLOKOSA-N	-1	0	287.319	2.571	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccccc2[N+](=O)[O-])n1	ZINC000041520580	372845853	/nfs/dbraw/zinc/84/58/53/372845853.db2.gz	NONZORSFFCDSAV-JTQLQIEISA-N	-1	0	287.300	2.850	20	30		CFEDRM
Cc1c(C(=O)[N-]S(C)(=O)=O)oc2c1c(C)ccc2C	ZINC000049003973	373248509	/nfs/dbraw/zinc/24/85/09/373248509.db2.gz	UAPXREZEUFVSCG-UHFFFAOYSA-N	-1	0	281.333	2.622	20	30		CFEDRM
CSc1cccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1	ZINC000451732770	383693664	/nfs/dbraw/zinc/69/36/64/383693664.db2.gz	ZLVUZXXAWFXGEQ-UHFFFAOYSA-N	-1	0	298.371	2.555	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C)c2C(F)F)n1	ZINC000067600424	373987495	/nfs/dbraw/zinc/98/74/95/373987495.db2.gz	FMIDQXIUBJTUMA-SSDOTTSWSA-N	-1	0	296.302	2.613	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2OCO3)n1	ZINC000077429265	374561571	/nfs/dbraw/zinc/56/15/71/374561571.db2.gz	MJHRMOPAVYGCAO-JTQLQIEISA-N	-1	0	286.312	2.670	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000262945867	190065267	/nfs/dbraw/zinc/06/52/67/190065267.db2.gz	MARDPPLJOQJQSF-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000263172427	190066980	/nfs/dbraw/zinc/06/69/80/190066980.db2.gz	YVXRZZHYISOXPY-CYBMUJFWSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000263282433	190067349	/nfs/dbraw/zinc/06/73/49/190067349.db2.gz	OUGBNLWDZFGMQT-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000263314494	190067770	/nfs/dbraw/zinc/06/77/70/190067770.db2.gz	YMKOOMJDZCJZOR-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000263316279	190067864	/nfs/dbraw/zinc/06/78/64/190067864.db2.gz	ZCTHKLOKECDWGW-FZMZJTMJSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000263316281	190067992	/nfs/dbraw/zinc/06/79/92/190067992.db2.gz	ZCTHKLOKECDWGW-SMDDNHRTSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000263493243	190069157	/nfs/dbraw/zinc/06/91/57/190069157.db2.gz	XIRZRLMVDOZWDY-JHJVBQTASA-N	-1	0	275.348	2.572	20	30		CFEDRM
CC(C)C[C@@H](CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000126956377	377255576	/nfs/dbraw/zinc/25/55/76/377255576.db2.gz	MBJIIVMSIIDSDZ-JTQLQIEISA-N	-1	0	282.290	2.995	20	30		CFEDRM
C=CCOCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000679588094	542213101	/nfs/dbraw/zinc/21/31/01/542213101.db2.gz	MJHCDAZIAFABGS-UHFFFAOYSA-N	-1	0	290.146	2.631	20	30		CFEDRM
C=CC[C@H](C)NC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000162530177	378915758	/nfs/dbraw/zinc/91/57/58/378915758.db2.gz	IBOFHKVXHXDBNP-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000163146852	378957565	/nfs/dbraw/zinc/95/75/65/378957565.db2.gz	YGCIBFUZQQADDK-UHFFFAOYSA-N	-1	0	251.713	2.579	20	30		CFEDRM
Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000335312778	379065656	/nfs/dbraw/zinc/06/56/56/379065656.db2.gz	WVSPBVRPULMPMV-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccoc2)cc1	ZINC000334455914	379330003	/nfs/dbraw/zinc/33/00/03/379330003.db2.gz	XEQRDYVZBOWSDW-UHFFFAOYSA-N	-1	0	290.344	2.882	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCCC2(F)F)[n-]1	ZINC000334514564	379433402	/nfs/dbraw/zinc/43/34/02/379433402.db2.gz	ZRJKSOIKQLONOS-NSHDSACASA-N	-1	0	296.321	2.522	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])o1	ZINC000335937384	380129475	/nfs/dbraw/zinc/12/94/75/380129475.db2.gz	OBEIWPRRJQJSER-UHFFFAOYSA-N	-1	0	262.652	2.763	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(C)(C)C2)[n-]1	ZINC000335980140	380190653	/nfs/dbraw/zinc/19/06/53/380190653.db2.gz	MRSOMFNLFAFMOM-NSHDSACASA-N	-1	0	274.368	2.522	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)cc(C)[nH]c2=O)n1	ZINC000354216583	381146955	/nfs/dbraw/zinc/14/69/55/381146955.db2.gz	DIGYWEWNDDPXIM-JTQLQIEISA-N	-1	0	287.344	2.659	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)o1	ZINC000182820502	381165589	/nfs/dbraw/zinc/16/55/89/381165589.db2.gz	QWYACGMXYCBXBD-UHFFFAOYSA-N	-1	0	290.344	2.877	20	30		CFEDRM
N#CC(=C([O-])c1cc2ccccc2o1)c1ccncn1	ZINC000354469469	381291073	/nfs/dbraw/zinc/29/10/73/381291073.db2.gz	QZNHQEFHACHSQL-LLVKDONJSA-N	-1	0	263.256	2.713	20	30		CFEDRM
N#CC(=C([O-])c1ncccc1C(F)(F)F)c1ccccn1	ZINC000183482344	381277888	/nfs/dbraw/zinc/27/78/88/381277888.db2.gz	UKOQBLVPIKOUDF-SECBINFHSA-N	-1	0	291.232	2.985	20	30		CFEDRM
N#Cc1ccccc1COc1ccc(-c2n[n-]c(=N)o2)cc1	ZINC000359369644	381378505	/nfs/dbraw/zinc/37/85/05/381378505.db2.gz	OJANLLYXKQDFDK-UHFFFAOYSA-N	-1	0	292.298	2.600	20	30		CFEDRM
CC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCC(C)CC1	ZINC000359825801	381627577	/nfs/dbraw/zinc/62/75/77/381627577.db2.gz	FXOQTJFXOQSHJL-HTAVTVPLSA-N	-1	0	299.378	2.944	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1cccc(OCC(=O)[O-])c1	ZINC000349109361	381824855	/nfs/dbraw/zinc/82/48/55/381824855.db2.gz	NGQNGYZHCLGKLX-SNAWJCMRSA-N	-1	0	280.283	2.587	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1cccc(C(=O)[O-])c1	ZINC000349109591	381825926	/nfs/dbraw/zinc/82/59/26/381825926.db2.gz	NJZBDCBCEYQNAD-PLNGDYQASA-N	-1	0	250.257	2.822	20	30		CFEDRM
CC[C@@H](C)CONC(=O)Nc1ccc(F)c(C#N)c1	ZINC000292946638	381916885	/nfs/dbraw/zinc/91/68/85/381916885.db2.gz	NVGBWROMGWFPTP-SECBINFHSA-N	-1	0	265.288	2.797	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnccc2C)n1	ZINC000357013476	381962205	/nfs/dbraw/zinc/96/22/05/381962205.db2.gz	MESGXAZPWJYGFB-SNVBAGLBSA-N	-1	0	257.318	2.645	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350984368	382021410	/nfs/dbraw/zinc/02/14/10/382021410.db2.gz	JCCMFYGXOKPJMQ-SNVBAGLBSA-N	-1	0	282.413	2.779	20	30		CFEDRM
C=CCn1c(-c2ccccc2)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000351118510	382029184	/nfs/dbraw/zinc/02/91/84/382029184.db2.gz	SCOBUHLMVQLZAV-UHFFFAOYSA-N	-1	0	294.362	2.637	20	30		CFEDRM
Cc1sc(/C=C\c2cc(C#N)n(C)c2)nc1C(=O)[O-]	ZINC000352029533	382139179	/nfs/dbraw/zinc/13/91/79/382139179.db2.gz	ZXWRUVNHVYIJFC-ARJAWSKDSA-N	-1	0	273.317	2.530	20	30		CFEDRM
COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1F	ZINC000357569273	382229779	/nfs/dbraw/zinc/22/97/79/382229779.db2.gz	QTEGFWHEVYJFGE-DJWKRKHSSA-N	-1	0	298.273	2.970	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000293855600	382307668	/nfs/dbraw/zinc/30/76/68/382307668.db2.gz	XKTOIXVHNXLUCO-LBPRGKRZSA-N	-1	0	290.363	2.810	20	30		CFEDRM
Cc1csc([C@H](C)NC(=O)c2ccc(C#N)c(O)c2)n1	ZINC000188431105	382412732	/nfs/dbraw/zinc/41/27/32/382412732.db2.gz	POPADRWOAWQOEW-VIFPVBQESA-N	-1	0	287.344	2.520	20	30		CFEDRM
N#CC(=C([O-])c1cncnc1)c1nc2cc(F)ccc2s1	ZINC000680647348	542347013	/nfs/dbraw/zinc/34/70/13/542347013.db2.gz	NQVOOZLZMZABEA-SNVBAGLBSA-N	-1	0	298.302	2.715	20	30		CFEDRM
N#CC(=C([O-])c1cc2occc2s1)c1ccncn1	ZINC000680617217	542342923	/nfs/dbraw/zinc/34/29/23/542342923.db2.gz	IRZHYIIATUGXSN-MRVPVSSYSA-N	-1	0	269.285	2.774	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000316374677	382530189	/nfs/dbraw/zinc/53/01/89/382530189.db2.gz	RZFAAFBKVMITCY-XQQFMLRXSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C/c1cccc(C)c1)C(=O)[O-]	ZINC000316729971	382530517	/nfs/dbraw/zinc/53/05/17/382530517.db2.gz	YXOATRAUMGBSSO-ATWMFIQVSA-N	-1	0	273.332	2.544	20	30		CFEDRM
N#CC(=C([O-])c1cncc(F)c1)c1cnc2ccccc2n1	ZINC000190991647	382687434	/nfs/dbraw/zinc/68/74/34/382687434.db2.gz	KLSUWOCPLNROCV-GFCCVEGCSA-N	-1	0	292.273	2.654	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](C)CCC(=O)[O-])c1ccccc1	ZINC000191148959	382693232	/nfs/dbraw/zinc/69/32/32/382693232.db2.gz	WPTOFHYARPQNBR-STQMWFEESA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000192861365	382713172	/nfs/dbraw/zinc/71/31/72/382713172.db2.gz	XZMQHMTXVVNCHA-DGCLKSJQSA-N	-1	0	261.321	2.531	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(Br)cc1C#N	ZINC000229154911	382850547	/nfs/dbraw/zinc/85/05/47/382850547.db2.gz	RZSDRUOPZAFZKK-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)s1	ZINC000337518653	382836000	/nfs/dbraw/zinc/83/60/00/382836000.db2.gz	AUSALWMNGUAYDV-LLVKDONJSA-N	-1	0	286.360	2.657	20	30		CFEDRM
C=CCCOCCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000229857979	382853639	/nfs/dbraw/zinc/85/36/39/382853639.db2.gz	GCTROJKWZXFVBV-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
Cc1cnc(C(=O)Nc2cc(C#N)ccc2C)c([O-])c1	ZINC000494828796	382931915	/nfs/dbraw/zinc/93/19/15/382931915.db2.gz	IEXZFYALXDZAID-UHFFFAOYSA-N	-1	0	267.288	2.528	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3nccnc32)n1	ZINC000543580553	382971807	/nfs/dbraw/zinc/97/18/07/382971807.db2.gz	RNURHDVOVMIXJJ-LLVKDONJSA-N	-1	0	294.339	2.885	20	30		CFEDRM
COC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2ccccc2O)C1	ZINC000495471635	382989609	/nfs/dbraw/zinc/98/96/09/382989609.db2.gz	ALQYKMJJDAQXJZ-STYDFJLESA-N	-1	0	290.363	2.678	20	30		CFEDRM
C=CCCOCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000565036032	383175430	/nfs/dbraw/zinc/17/54/30/383175430.db2.gz	RASGUNIWRSSBFP-UHFFFAOYSA-N	-1	0	294.307	2.606	20	30		CFEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc2ccccc2[nH]1	ZINC000565268651	383177547	/nfs/dbraw/zinc/17/75/47/383177547.db2.gz	DLBXNAIZZZLBNF-SNVBAGLBSA-N	-1	0	292.298	2.918	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1nc(-c2ccccc2)o[n-]1	ZINC000555855619	383150049	/nfs/dbraw/zinc/15/00/49/383150049.db2.gz	WFVOOXACYHVANW-UONOGXRCSA-N	-1	0	285.347	2.552	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000424758893	383252592	/nfs/dbraw/zinc/25/25/92/383252592.db2.gz	JXCAJMXUWFEXBR-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634916048	383402660	/nfs/dbraw/zinc/40/26/60/383402660.db2.gz	NJUVDGNEMSBDMI-RISCZKNCSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCN(C)C(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634914560	383402888	/nfs/dbraw/zinc/40/28/88/383402888.db2.gz	XTARCWKODDKHHQ-OAHLLOKOSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](N=c2nc(-c3ccccc3)o[n-]2)C1	ZINC000568474403	383404963	/nfs/dbraw/zinc/40/49/63/383404963.db2.gz	GBZBGUYWKBTYQV-AAEUAGOBSA-N	-1	0	268.320	2.653	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCC2)C1	ZINC000634928592	383408053	/nfs/dbraw/zinc/40/80/53/383408053.db2.gz	QNWGLHXOMXXHDY-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634931713	383409896	/nfs/dbraw/zinc/40/98/96/383409896.db2.gz	JGBWMCXBPZJQQI-ZOWXZIJZSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000634938903	383412864	/nfs/dbraw/zinc/41/28/64/383412864.db2.gz	VPTNAECZQWKNER-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
CCCCn1c(SCC2(C#N)CCC2)n[nH]c1=O	ZINC000450702311	383483647	/nfs/dbraw/zinc/48/36/47/383483647.db2.gz	IMMOBCARJUZQGW-UHFFFAOYSA-N	-1	0	266.370	2.570	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F	ZINC000427781226	383416895	/nfs/dbraw/zinc/41/68/95/383416895.db2.gz	SCUOHJJTCDTDPO-JTQLQIEISA-N	-1	0	285.331	2.603	20	30		CFEDRM
C[C@@H](C1CC1)n1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cn1	ZINC000450455415	383417409	/nfs/dbraw/zinc/41/74/09/383417409.db2.gz	UXHRZYXEWUYZOQ-VIFPVBQESA-N	-1	0	298.306	2.773	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000635530047	383578746	/nfs/dbraw/zinc/57/87/46/383578746.db2.gz	OAQMXJCUSKULAP-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000635530048	383578757	/nfs/dbraw/zinc/57/87/57/383578757.db2.gz	OAQMXJCUSKULAP-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000262813334	383639719	/nfs/dbraw/zinc/63/97/19/383639719.db2.gz	DOVFRMQJKJPHRS-JTQLQIEISA-N	-1	0	267.350	2.514	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NCCCC(=O)[O-])c2c1	ZINC000263413293	383664278	/nfs/dbraw/zinc/66/42/78/383664278.db2.gz	NBDLZUJGMCCUEP-UHFFFAOYSA-N	-1	0	269.304	2.692	20	30		CFEDRM
Cc1c(Cl)cnc(N[C@@H](CC(C)C)C(=O)[O-])c1C#N	ZINC000263419259	383664546	/nfs/dbraw/zinc/66/45/46/383664546.db2.gz	OWLXXYZZASODJE-NSHDSACASA-N	-1	0	281.743	2.826	20	30		CFEDRM
CC(C)C[C@@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000263516788	383673517	/nfs/dbraw/zinc/67/35/17/383673517.db2.gz	PAQJBNOLJOEWCZ-SECBINFHSA-N	-1	0	267.716	2.518	20	30		CFEDRM
N#CCC1(CNC(=O)CCCc2ccc(O)c(F)c2)CC1	ZINC000435959907	383782443	/nfs/dbraw/zinc/78/24/43/383782443.db2.gz	OQHQGAUDIFBCLU-UHFFFAOYSA-N	-1	0	290.338	2.664	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)nc2)c1	ZINC000436642287	383859794	/nfs/dbraw/zinc/85/97/94/383859794.db2.gz	AKXZSAUSYCYYBR-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
CNc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1[O-]	ZINC000436683951	383870667	/nfs/dbraw/zinc/87/06/67/383870667.db2.gz	XAWALMNSZMAGQP-UHFFFAOYSA-N	-1	0	285.278	2.697	20	30		CFEDRM
C=CCC1(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000646180640	383909751	/nfs/dbraw/zinc/90/97/51/383909751.db2.gz	SSZMNRGEIDAHGL-OLZOCXBDSA-N	-1	0	294.395	2.818	20	30		CFEDRM
C=C(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000436735157	383884483	/nfs/dbraw/zinc/88/44/83/383884483.db2.gz	LRMWZUXNADRQHG-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
COc1ccc(C(=O)N[C@H](C)[C@H]2CCCOC2)c(O)c1	ZINC000331249247	335052731	/nfs/dbraw/zinc/05/27/31/335052731.db2.gz	VINBEXJQPKNYGE-MNOVXSKESA-N	-1	0	279.336	2.521	20	30		CFEDRM
CO[C@@H]1[C@@H](C)[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000271779656	385391547	/nfs/dbraw/zinc/39/15/47/385391547.db2.gz	GQWSYKQBXGZSFH-WIVUVDFCSA-N	-1	0	292.335	2.779	20	30		CFEDRM
C=CCCCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000274726313	385858539	/nfs/dbraw/zinc/85/85/39/385858539.db2.gz	SXSWTQDVRKYNQJ-UHFFFAOYSA-N	-1	0	255.264	2.757	20	30		CFEDRM
C=CCCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1	ZINC000238113195	131076938	/nfs/dbraw/zinc/07/69/38/131076938.db2.gz	BVDXRJNBEFQNPL-UHFFFAOYSA-N	-1	0	297.301	2.734	20	30		CFEDRM
C=CC[C@H]1N(C(=O)c2n[nH]c(C)c2[O-])CCCC1(C)C	ZINC000683517279	542690643	/nfs/dbraw/zinc/69/06/43/542690643.db2.gz	DRSGDOHWAZVZOU-LLVKDONJSA-N	-1	0	277.368	2.631	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1	ZINC000683902350	542741761	/nfs/dbraw/zinc/74/17/61/542741761.db2.gz	WRCFZBPVIZFCLW-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)Nc2cccc(C)c2)cc1C#N	ZINC000027605633	393497547	/nfs/dbraw/zinc/49/75/47/393497547.db2.gz	LLRMXRYMWDNJKZ-UHFFFAOYSA-N	-1	0	299.355	2.942	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000188226646	393562545	/nfs/dbraw/zinc/56/25/45/393562545.db2.gz	NFDDITGBQRLYRM-UHFFFAOYSA-N	-1	0	277.283	2.582	20	30		CFEDRM
CN=c1[n-]nc(SCCC2(C#N)CCCCC2)s1	ZINC000412989785	393777702	/nfs/dbraw/zinc/77/77/02/393777702.db2.gz	OCHSLNJZNPMMGX-UHFFFAOYSA-N	-1	0	282.438	2.958	20	30		CFEDRM
C=CCN=c1[n-]nc(SC2C[C@@H](C)O[C@H](C)C2)s1	ZINC000338508006	393788925	/nfs/dbraw/zinc/78/89/25/393788925.db2.gz	FNIARDDSZDDVIB-RKDXNWHRSA-N	-1	0	285.438	2.606	20	30		CFEDRM
C=CC[C@@H](CC)N=c1[n-]nc(C2CCOCC2)s1	ZINC000338714605	393796184	/nfs/dbraw/zinc/79/61/84/393796184.db2.gz	TZLHOAVPAMERJR-LLVKDONJSA-N	-1	0	267.398	2.621	20	30		CFEDRM
C=C(C)[C@@H](N=c1[n-]nc(C)o1)c1ccc(F)c(F)c1	ZINC000342885835	393873097	/nfs/dbraw/zinc/87/30/97/393873097.db2.gz	VKXSETRYUGZDAD-GFCCVEGCSA-N	-1	0	265.263	2.807	20	30		CFEDRM
C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000342986439	393876700	/nfs/dbraw/zinc/87/67/00/393876700.db2.gz	BPMNMXBMCFWUMY-JTQLQIEISA-N	-1	0	289.347	2.988	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N(C)CCCC(=O)[O-])c2c1	ZINC000416421532	393917779	/nfs/dbraw/zinc/91/77/79/393917779.db2.gz	DCZBNUXCWZJAGD-UHFFFAOYSA-N	-1	0	283.331	2.716	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2nc(C)sc2c1	ZINC000416939032	393946137	/nfs/dbraw/zinc/94/61/37/393946137.db2.gz	GHIDCNXKOHOJGZ-JTQLQIEISA-N	-1	0	295.389	2.649	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000349273739	393966840	/nfs/dbraw/zinc/96/68/40/393966840.db2.gz	DXKMHDGBEWDARX-VIFPVBQESA-N	-1	0	267.244	2.614	20	30		CFEDRM
C#C[C@@H](C)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000491732232	394057685	/nfs/dbraw/zinc/05/76/85/394057685.db2.gz	QTVVICUNHVPXDF-MRVPVSSYSA-N	-1	0	271.238	2.505	20	30		CFEDRM
Cc1ccc(O)c(NC(=O)c2sccc2C#N)c1	ZINC000128947686	394079796	/nfs/dbraw/zinc/07/97/96/394079796.db2.gz	CQRRCFYKLKOCQC-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cccc(C#N)c2)c1	ZINC000436864514	394030894	/nfs/dbraw/zinc/03/08/94/394030894.db2.gz	ZLFCHYOMONCLLL-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000289929335	394224845	/nfs/dbraw/zinc/22/48/45/394224845.db2.gz	VLDLITXNMUQZGT-SFYZADRCSA-N	-1	0	276.163	2.897	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)cc1	ZINC000043584991	134905928	/nfs/dbraw/zinc/90/59/28/134905928.db2.gz	RRDZQLGIWBYOKX-CYBMUJFWSA-N	-1	0	258.321	2.639	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C#N)c2)c1	ZINC000540976157	394661640	/nfs/dbraw/zinc/66/16/40/394661640.db2.gz	FPUJVUBNBKLAMP-UHFFFAOYSA-N	-1	0	294.310	2.648	20	30		CFEDRM
Cc1cnn(C)c1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380279	395320253	/nfs/dbraw/zinc/32/02/53/395320253.db2.gz	ZIWCHXCHQPCJKE-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nc(C2CC2)cs1	ZINC000647379463	395320359	/nfs/dbraw/zinc/32/03/59/395320359.db2.gz	KWTMRRXCTGMZHQ-LBPRGKRZSA-N	-1	0	294.339	2.777	20	30		CFEDRM
C=C(CN=c1[n-]c(C2CCC2)no1)c1ccccc1	ZINC000649367947	395478993	/nfs/dbraw/zinc/47/89/93/395478993.db2.gz	DVXKFZIZZJTNOJ-UHFFFAOYSA-N	-1	0	255.321	2.884	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000653474075	413315483	/nfs/dbraw/zinc/31/54/83/413315483.db2.gz	YNCFTZHYBGRVAL-CHWSQXEVSA-N	-1	0	265.353	2.516	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000654884167	414025901	/nfs/dbraw/zinc/02/59/01/414025901.db2.gz	ZAXBZLOERWZIJJ-ZETCQYMHSA-N	-1	0	259.227	2.715	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000037453165	173219065	/nfs/dbraw/zinc/21/90/65/173219065.db2.gz	UWMPSHPCRUGMAJ-SSDOTTSWSA-N	-1	0	272.226	2.852	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000655555830	414324949	/nfs/dbraw/zinc/32/49/49/414324949.db2.gz	AFJRYVQCWQZILL-STQMWFEESA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000655564883	414326063	/nfs/dbraw/zinc/32/60/63/414326063.db2.gz	UCEQCIVCIOTKMP-UKRRQHHQSA-N	-1	0	289.375	2.819	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655575243	414330701	/nfs/dbraw/zinc/33/07/01/414330701.db2.gz	HAMDATGBHVUGOH-FVCCEPFGSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000659166774	414459798	/nfs/dbraw/zinc/45/97/98/414459798.db2.gz	SNMIZMXUNOREFM-AAEUAGOBSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)CC(=O)[O-]	ZINC000659168213	414460084	/nfs/dbraw/zinc/46/00/84/414460084.db2.gz	TZYQBHNWOOOPHY-JHJVBQTASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659167923	414460737	/nfs/dbraw/zinc/46/07/37/414460737.db2.gz	RSHMNJOOVANLPB-XJFOESAGSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000659170170	414461841	/nfs/dbraw/zinc/46/18/41/414461841.db2.gz	QNQHYUHJMFGCJK-MGPQQGTHSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000659170243	414461977	/nfs/dbraw/zinc/46/19/77/414461977.db2.gz	JZODVJKYWYUGHI-JTQLQIEISA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21	ZINC000659184465	414465023	/nfs/dbraw/zinc/46/50/23/414465023.db2.gz	LJOHEKPICIDBMP-CQSZACIVSA-N	-1	0	287.359	2.887	20	30		CFEDRM
C=CCC1(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)CCCC1	ZINC000655880863	414486965	/nfs/dbraw/zinc/48/69/65/414486965.db2.gz	XWVQACUVXBNXRX-ZDUSSCGKSA-N	-1	0	296.411	2.779	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000655893829	414487990	/nfs/dbraw/zinc/48/79/90/414487990.db2.gz	RBQAUDOXATUWQT-ZDUSSCGKSA-N	-1	0	284.400	2.731	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000655893828	414488560	/nfs/dbraw/zinc/48/85/60/414488560.db2.gz	RBQAUDOXATUWQT-CYBMUJFWSA-N	-1	0	284.400	2.731	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659410646	414518265	/nfs/dbraw/zinc/51/82/65/414518265.db2.gz	XZLLOOMADWSDLN-RFQIPJPRSA-N	-1	0	294.395	2.674	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1	ZINC000663034887	414647102	/nfs/dbraw/zinc/64/71/02/414647102.db2.gz	VGVCZJSSDZLKPP-INIZCTEOSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000663125860	414653872	/nfs/dbraw/zinc/65/38/72/414653872.db2.gz	TVFNNSZDXRIZSR-STQMWFEESA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@H](C(=O)[O-])C2CC2)CCCC1	ZINC000663127179	414654003	/nfs/dbraw/zinc/65/40/03/414654003.db2.gz	ZUWQOPKYJJESBJ-CYBMUJFWSA-N	-1	0	279.380	2.740	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)cnc2ccccc12	ZINC000354466954	227003903	/nfs/dbraw/zinc/00/39/03/227003903.db2.gz	KNFAWECEWWGZNK-ZDUSSCGKSA-N	-1	0	288.310	2.823	20	30		CFEDRM
[O-]/C(=N/Cc1cn2ccsc2n1)[C@@H]1CCCOCC1	ZINC000330261560	228084082	/nfs/dbraw/zinc/08/40/82/228084082.db2.gz	PEOJGYWYVNXVBO-SNVBAGLBSA-N	-1	0	279.365	2.669	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C(C)C)n1	ZINC000353639479	228136878	/nfs/dbraw/zinc/13/68/78/228136878.db2.gz	WDWFWEILYYEGJG-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H](C)C(=O)c2ccco2)s1	ZINC000412981479	262750268	/nfs/dbraw/zinc/75/02/68/262750268.db2.gz	VPBJZUYJHSMANA-MRVPVSSYSA-N	-1	0	295.389	2.514	20	30		CFEDRM
N#CCc1cccc(NC(=O)NCCCCCC(=O)[O-])c1	ZINC000313441766	260294476	/nfs/dbraw/zinc/29/44/76/260294476.db2.gz	VECSOBQHWQZEKP-UHFFFAOYSA-N	-1	0	289.335	2.519	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2cccc(C3CC3)c2)[n-]1	ZINC000517958142	260326348	/nfs/dbraw/zinc/32/63/48/260326348.db2.gz	ZFSSQDGLQIYKMW-UHFFFAOYSA-N	-1	0	294.358	2.887	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cnc(F)c(C#N)c2)c1	ZINC001243176831	782037150	/nfs/dbraw/zinc/03/71/50/782037150.db2.gz	DSZRMKTZFONLOG-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(CC#N)cn2)c1	ZINC001243177271	782037275	/nfs/dbraw/zinc/03/72/75/782037275.db2.gz	KTFPJIZMNRTWMO-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184376041	262018506	/nfs/dbraw/zinc/01/85/06/262018506.db2.gz	PGBUAIZNUHRHSZ-ZETCQYMHSA-N	-1	0	270.691	2.559	20	30		CFEDRM
CC[C@@H](CO)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000186943669	262117463	/nfs/dbraw/zinc/11/74/63/262117463.db2.gz	YOBCIJRDFKTONL-QFKBZZQOSA-N	-1	0	262.136	2.889	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nccs1	ZINC000194786464	262242380	/nfs/dbraw/zinc/24/23/80/262242380.db2.gz	MWFBROLOKRGWAS-UHFFFAOYSA-N	-1	0	262.400	2.855	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(Cl)o1	ZINC000058070545	262350527	/nfs/dbraw/zinc/35/05/27/262350527.db2.gz	QLHKWIFJMPXQFJ-UHFFFAOYSA-N	-1	0	291.756	2.900	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2nnc(C)s2)s1	ZINC000340599343	263218198	/nfs/dbraw/zinc/21/81/98/263218198.db2.gz	YVZGHKKHXRKOPQ-ZCFIWIBFSA-N	-1	0	299.450	2.571	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000120234206	263285049	/nfs/dbraw/zinc/28/50/49/263285049.db2.gz	VKJVYOUHQWSEJS-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
CC(C)(C)c1nc(=NCC(C)(C)CCC#N)s[n-]1	ZINC000340924642	263312716	/nfs/dbraw/zinc/31/27/16/263312716.db2.gz	CZSCUABBQWRITG-UHFFFAOYSA-N	-1	0	266.414	2.999	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](C)C2)s1	ZINC000331280860	264171500	/nfs/dbraw/zinc/17/15/00/264171500.db2.gz	BVIRWPKHNHJJBE-HTQZYQBOSA-N	-1	0	286.426	2.587	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000190931032	264440661	/nfs/dbraw/zinc/44/06/61/264440661.db2.gz	OTUCORQNWJMXML-OLZOCXBDSA-N	-1	0	275.348	2.525	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2ncc(C)o2)s1	ZINC000356186791	266065969	/nfs/dbraw/zinc/06/59/69/266065969.db2.gz	HFFSEYAMXMNKNP-QMMMGPOBSA-N	-1	0	282.394	2.708	20	30		CFEDRM
Cn1nccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000356713801	266164109	/nfs/dbraw/zinc/16/41/09/266164109.db2.gz	RPDVTAUHKYFCDC-VIFPVBQESA-N	-1	0	282.328	2.520	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1	ZINC000357810285	266369901	/nfs/dbraw/zinc/36/99/01/266369901.db2.gz	QGMQAYBXMQTTQN-LLVKDONJSA-N	-1	0	265.272	2.656	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nccc2ccccc21	ZINC000361843122	266892796	/nfs/dbraw/zinc/89/27/96/266892796.db2.gz	OJMQDBHGPKNXKK-INIZCTEOSA-N	-1	0	298.305	2.992	20	30		CFEDRM
COc1ccnc(-c2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001243178537	782040053	/nfs/dbraw/zinc/04/00/53/782040053.db2.gz	RYIGHSYTYLOXSB-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1ccccc1OC(F)(F)F	ZINC000123083362	267985753	/nfs/dbraw/zinc/98/57/53/267985753.db2.gz	VKUGGACQRDAMJJ-UHFFFAOYSA-N	-1	0	295.282	2.903	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(C#N)s2)nc(C)n1	ZINC000429343748	268021916	/nfs/dbraw/zinc/02/19/16/268021916.db2.gz	IPUADQQJGDUJNN-NSHDSACASA-N	-1	0	282.328	2.517	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000064070488	280464357	/nfs/dbraw/zinc/46/43/57/280464357.db2.gz	LFPBNEDEQNCXCQ-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1C#N	ZINC000137185680	280786656	/nfs/dbraw/zinc/78/66/56/280786656.db2.gz	LZRGCFKIYREMQB-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1	ZINC000548150222	281771590	/nfs/dbraw/zinc/77/15/90/281771590.db2.gz	DRYZPXYDCMHDOI-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
Cc1ccc(-c2cccnc2CC#N)cc1C(=O)[O-]	ZINC001243195388	782055693	/nfs/dbraw/zinc/05/56/93/782055693.db2.gz	OTNOMCMFMBCOMW-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2ccc3ncc(C#N)n3c2)cc1C(=O)[O-]	ZINC001243195977	782056516	/nfs/dbraw/zinc/05/65/16/782056516.db2.gz	SSDHXBXMGFPGGL-UHFFFAOYSA-N	-1	0	277.283	2.880	20	30		CFEDRM
Cc1ccc(-c2c(C)ccnc2C#N)cc1C(=O)[O-]	ZINC001243199344	782059665	/nfs/dbraw/zinc/05/96/65/782059665.db2.gz	OJPJNISCUDMCDL-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C#N	ZINC000181147806	302005505	/nfs/dbraw/zinc/00/55/05/302005505.db2.gz	RMOIRAWSLHRPOK-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000037115753	303180529	/nfs/dbraw/zinc/18/05/29/303180529.db2.gz	ZFDGGTHGKTVVHB-VIFPVBQESA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1cc(F)c(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(F)c1	ZINC000263549136	303182623	/nfs/dbraw/zinc/18/26/23/303182623.db2.gz	JJZOZAMAXVUSPS-ZUZCIYMTSA-N	-1	0	292.285	2.528	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@H](C(=O)[O-])C1	ZINC000062784850	303191814	/nfs/dbraw/zinc/19/18/14/303191814.db2.gz	KVNIHCNTZKCZND-JTQLQIEISA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnc(F)c(C#N)c1	ZINC001243205155	782066155	/nfs/dbraw/zinc/06/61/55/782066155.db2.gz	ZYDYABLRIYUZIH-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CCCCCCNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000570815730	327621868	/nfs/dbraw/zinc/62/18/68/327621868.db2.gz	FERYLIUZYQMFBL-UHFFFAOYSA-N	-1	0	290.363	2.930	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)c(C)o1	ZINC000353420861	328213023	/nfs/dbraw/zinc/21/30/23/328213023.db2.gz	VRXDAPTXLDSKJY-SECBINFHSA-N	-1	0	275.333	2.800	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)cc1[O-]	ZINC000188539216	324016606	/nfs/dbraw/zinc/01/66/06/324016606.db2.gz	JWRWKZSYPYRNPP-UHFFFAOYSA-N	-1	0	290.322	2.956	20	30		CFEDRM
O=C(NC[C@H]1CCCS1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000331047108	328475503	/nfs/dbraw/zinc/47/55/03/328475503.db2.gz	IOPGIHQYRQUWFB-LLVKDONJSA-N	-1	0	282.321	2.501	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000398254922	326876514	/nfs/dbraw/zinc/87/65/14/326876514.db2.gz	PVOAVPLXDXZXTP-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
CC(C)(C#N)CCCS(=O)(=O)c1nc2ccccc2[n-]1	ZINC000083024862	327147497	/nfs/dbraw/zinc/14/74/97/327147497.db2.gz	WIVXHXAGWISQRP-UHFFFAOYSA-N	-1	0	291.376	2.667	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)CC(C)(C)C(=O)[O-]	ZINC000570479267	327594421	/nfs/dbraw/zinc/59/44/21/327594421.db2.gz	DWRKDOPAEGTBLU-UHFFFAOYSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000570605784	327603141	/nfs/dbraw/zinc/60/31/41/327603141.db2.gz	ONLTUDJEBISUCW-AWEZNQCLSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ccc(O)cc2O)c1	ZINC000194263310	329081125	/nfs/dbraw/zinc/08/11/25/329081125.db2.gz	OWQKTCTXHCDHLX-UHFFFAOYSA-N	-1	0	285.299	2.915	20	30		CFEDRM
O=C1c2ccc(O)cc2O/C1=C\c1cc(F)c([O-])c(F)c1	ZINC000175323072	329164938	/nfs/dbraw/zinc/16/49/38/329164938.db2.gz	CKPLNESESFIIQX-ACAGNQJTSA-N	-1	0	290.221	2.992	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])co1	ZINC000183766186	329250191	/nfs/dbraw/zinc/25/01/91/329250191.db2.gz	DZXOAEDECCCEDA-UHFFFAOYSA-N	-1	0	285.299	2.806	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000186012343	329335692	/nfs/dbraw/zinc/33/56/92/329335692.db2.gz	ALJXILYYBWGSJV-SECBINFHSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCCCCCNC(=O)N=c1nc(SC)[n-]s1	ZINC000572300731	329971027	/nfs/dbraw/zinc/97/10/27/329971027.db2.gz	KCPFLKKPGVZLGQ-UHFFFAOYSA-N	-1	0	286.426	2.550	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000262793540	330031689	/nfs/dbraw/zinc/03/16/89/330031689.db2.gz	CAONXXRGIVUFBX-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000262810004	330033251	/nfs/dbraw/zinc/03/32/51/330033251.db2.gz	DHGHZDZXPOYGRR-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@H]1c1sccc1C)C(=O)[O-]	ZINC000262938201	330037343	/nfs/dbraw/zinc/03/73/43/330037343.db2.gz	PPZGPALWNHOPPU-WOPDTQHZSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000263157125	330046321	/nfs/dbraw/zinc/04/63/21/330046321.db2.gz	ZNLLSCQZRABOQJ-AWEZNQCLSA-N	-1	0	261.321	2.512	20	30		CFEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCCC2)cc1	ZINC000263186837	330048055	/nfs/dbraw/zinc/04/80/55/330048055.db2.gz	IAPSROGAWFOQDR-NSHDSACASA-N	-1	0	286.331	2.897	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263202622	330049059	/nfs/dbraw/zinc/04/90/59/330049059.db2.gz	HQASQNVGCFCWLD-HEHGZKQESA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000263288042	330051833	/nfs/dbraw/zinc/05/18/33/330051833.db2.gz	UUZKHNXQCNUOJF-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000263314093	330052217	/nfs/dbraw/zinc/05/22/17/330052217.db2.gz	YJHIAFGEESSEHR-IUODEOHRSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CC(C)(C)CCN=c1[n-]c(C(F)(F)F)ns1	ZINC000528076515	330305531	/nfs/dbraw/zinc/30/55/31/330305531.db2.gz	YNSCITASZJVABH-UHFFFAOYSA-N	-1	0	265.304	2.993	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000430528216	330568847	/nfs/dbraw/zinc/56/88/47/330568847.db2.gz	XEGHKHNJEXHIRQ-NSHDSACASA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SC[C@H]1CCCCC1(F)F	ZINC000450792544	331000027	/nfs/dbraw/zinc/00/00/27/331000027.db2.gz	NWVQCCOAHKIFJX-SECBINFHSA-N	-1	0	288.367	2.794	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457302019	331218528	/nfs/dbraw/zinc/21/85/28/331218528.db2.gz	XANURQQEPHVUTM-QMMMGPOBSA-N	-1	0	271.263	2.590	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000467466423	331420636	/nfs/dbraw/zinc/42/06/36/331420636.db2.gz	RFOQYIMCOCZGCI-UHFFFAOYSA-N	-1	0	276.384	2.725	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCc2cccc(C)n2)s1	ZINC000521622795	333180116	/nfs/dbraw/zinc/18/01/16/333180116.db2.gz	CONVLJFCMSOXIF-UHFFFAOYSA-N	-1	0	292.433	2.596	20	30		CFEDRM
C=CC1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1	ZINC000173301159	335131163	/nfs/dbraw/zinc/13/11/63/335131163.db2.gz	NYOQBZCVRNAQFP-UHFFFAOYSA-N	-1	0	297.358	2.616	20	30		CFEDRM
C=CCOCCCC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000539675650	333684725	/nfs/dbraw/zinc/68/47/25/333684725.db2.gz	IFUJZSXFMZWWOM-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)c1cc(Br)ccc1O	ZINC000136924594	334165713	/nfs/dbraw/zinc/16/57/13/334165713.db2.gz	XMTOBWFTLXFCSK-QMMMGPOBSA-N	-1	0	297.152	2.529	20	30		CFEDRM
N#CCc1ccccc1NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000549716970	334202527	/nfs/dbraw/zinc/20/25/27/334202527.db2.gz	VMZJYCBAVJZBLU-UHFFFAOYSA-N	-1	0	288.253	2.989	20	30		CFEDRM
Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000552243746	334307639	/nfs/dbraw/zinc/30/76/39/334307639.db2.gz	IQMKSBMVZOYNGR-LBPRGKRZSA-N	-1	0	296.330	2.757	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)co1	ZINC000555085724	334467576	/nfs/dbraw/zinc/46/75/76/334467576.db2.gz	VUUCYUBQRPRJHL-NSHDSACASA-N	-1	0	284.319	2.524	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000566436874	334648965	/nfs/dbraw/zinc/64/89/65/334648965.db2.gz	SFQAKLPSWWVZIL-MRVPVSSYSA-N	-1	0	286.253	2.643	20	30		CFEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000568710618	334837229	/nfs/dbraw/zinc/83/72/29/334837229.db2.gz	ZBZREZBCWQYGQI-LBPRGKRZSA-N	-1	0	298.346	2.832	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000577696104	335389716	/nfs/dbraw/zinc/38/97/16/335389716.db2.gz	WHPSYBIHJJNQBH-ZRUQZJFASA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354750296	335762592	/nfs/dbraw/zinc/76/25/92/335762592.db2.gz	VJPPSTVAPDIOHZ-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=C(C)CCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000386744417	336177899	/nfs/dbraw/zinc/17/78/99/336177899.db2.gz	FBOFPHNNCGOYFK-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)n1	ZINC001243324235	782138930	/nfs/dbraw/zinc/13/89/30/782138930.db2.gz	OGTNOZZPXXVIDH-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1cc2c(cc1NC(=O)c1ccc(C#N)c([O-])c1)OCO2	ZINC000188781101	534066864	/nfs/dbraw/zinc/06/68/64/534066864.db2.gz	LBQWIXOFUNKHGL-UHFFFAOYSA-N	-1	0	296.282	2.553	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2ccncn2)ccc1F	ZINC000354475888	534144248	/nfs/dbraw/zinc/14/42/48/534144248.db2.gz	YJZVVSCKWAZYSS-SNVBAGLBSA-N	-1	0	287.319	2.828	20	30		CFEDRM
CC(C)C[C@H](CNc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232615148	519353041	/nfs/dbraw/zinc/35/30/41/519353041.db2.gz	UAHMSAKQWBIGMG-SNVBAGLBSA-N	-1	0	281.743	2.765	20	30		CFEDRM
CC[C@H](C)n1ncc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000361305390	522081665	/nfs/dbraw/zinc/08/16/65/522081665.db2.gz	MXZITLTXEJQXEE-JTQLQIEISA-N	-1	0	298.346	2.992	20	30		CFEDRM
N#CC(=C([O-])c1nccc2ccccc21)c1ccncn1	ZINC000354471494	534741341	/nfs/dbraw/zinc/74/13/41/534741341.db2.gz	SLIWHFILQAUZDV-ZDUSSCGKSA-N	-1	0	274.283	2.515	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cl	ZINC000335078416	526665914	/nfs/dbraw/zinc/66/59/14/526665914.db2.gz	DGQMYROHPJXMBV-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
N#Cc1ccnc(NC2CCC(C(=O)[O-])CC2)c1Cl	ZINC000236427598	526760001	/nfs/dbraw/zinc/76/00/01/526760001.db2.gz	RDQWSOFGBQUUTL-UHFFFAOYSA-N	-1	0	279.727	2.662	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000343773338	527161646	/nfs/dbraw/zinc/16/16/46/527161646.db2.gz	ZFKODOSDBIKJNF-ZDUSSCGKSA-N	-1	0	299.374	2.559	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1cccc(C#N)n1)C(=O)[O-]	ZINC000416438015	527677991	/nfs/dbraw/zinc/67/79/91/527677991.db2.gz	JHUIHANDHJHQCS-NSHDSACASA-N	-1	0	261.325	2.645	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccnc1CC#N	ZINC001241002692	782165477	/nfs/dbraw/zinc/16/54/77/782165477.db2.gz	FPEMUWWNCYYQFL-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1C	ZINC000435337880	536571182	/nfs/dbraw/zinc/57/11/82/536571182.db2.gz	ZGTXTZQPJQSLRI-DHZHZOJOSA-N	-1	0	295.342	2.828	20	30		CFEDRM
COC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCCC1	ZINC000935107685	649876571	/nfs/dbraw/zinc/87/65/71/649876571.db2.gz	JPQPBAUVEIFGKP-UHFFFAOYSA-N	-1	0	288.347	2.942	20	30		CFEDRM
N#CCN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CCCC1	ZINC000738428510	574049378	/nfs/dbraw/zinc/04/93/78/574049378.db2.gz	OLQMKTPKZDBUDN-UHFFFAOYSA-N	-1	0	287.319	2.685	20	30		CFEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000736772730	574071658	/nfs/dbraw/zinc/07/16/58/574071658.db2.gz	HYBQXLIDGSUFGT-MEDUHNTESA-N	-1	0	286.331	2.587	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000738470029	574076497	/nfs/dbraw/zinc/07/64/97/574076497.db2.gz	GXXUTVRXSLYIPV-RDBSUJKOSA-N	-1	0	294.395	2.722	20	30		CFEDRM
C=CC1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)CC1	ZINC000738488451	574091146	/nfs/dbraw/zinc/09/11/46/574091146.db2.gz	KMBBDVKJNPAPTB-UHFFFAOYSA-N	-1	0	288.347	2.744	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1	ZINC000738488767	574091684	/nfs/dbraw/zinc/09/16/84/574091684.db2.gz	MPSQDVSQCUSLNE-SECBINFHSA-N	-1	0	293.323	2.871	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2scnc2Cl)nc(C)n1	ZINC000744936223	574093924	/nfs/dbraw/zinc/09/39/24/574093924.db2.gz	PKTWOOBLHUVFDR-QMMMGPOBSA-N	-1	0	292.751	2.693	20	30		CFEDRM
C=CCCCOC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000738492242	574094770	/nfs/dbraw/zinc/09/47/70/574094770.db2.gz	CCZDOHFSHQRRSM-UHFFFAOYSA-N	-1	0	265.265	2.605	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738494225	574095898	/nfs/dbraw/zinc/09/58/98/574095898.db2.gz	XRPQEOGEMYNDIQ-OLZOCXBDSA-N	-1	0	282.384	2.628	20	30		CFEDRM
Cc1ncccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000728778456	574108504	/nfs/dbraw/zinc/10/85/04/574108504.db2.gz	RAUOUCWUNWNDHK-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CCOc1ccc(/C=N\C[C@@H](CC(C)C)C(=O)[O-])c(O)c1	ZINC000737198699	574118314	/nfs/dbraw/zinc/11/83/14/574118314.db2.gz	FJPWPRPESBVFSZ-ZLYHGVDXSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/C2CCC(C(=O)[O-])CC2)c1	ZINC000737204244	574118752	/nfs/dbraw/zinc/11/87/52/574118752.db2.gz	VZPQGDOODRNNFG-LICLKQGHSA-N	-1	0	291.347	2.853	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\C2CCC(C(=O)[O-])CC2)c1	ZINC000737204245	574118786	/nfs/dbraw/zinc/11/87/86/574118786.db2.gz	VZPQGDOODRNNFG-YVLHZVERSA-N	-1	0	291.347	2.853	20	30		CFEDRM
C=CC1CCN(c2c3ccccc3nnc2C(=O)[O-])CC1	ZINC000737526649	574145886	/nfs/dbraw/zinc/14/58/86/574145886.db2.gz	BTXMKPFPMCIGHD-UHFFFAOYSA-N	-1	0	283.331	2.730	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000737527806	574146299	/nfs/dbraw/zinc/14/62/99/574146299.db2.gz	DLPILJPZBMJDAJ-JTQLQIEISA-N	-1	0	279.292	2.663	20	30		CFEDRM
CO[C@]1(C)CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000746557365	574154837	/nfs/dbraw/zinc/15/48/37/574154837.db2.gz	AYGZFXHCRKVBOR-OAHLLOKOSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(C#N)nc1)c1ccc(C(=O)[O-])cc1	ZINC000738228553	574160821	/nfs/dbraw/zinc/16/08/21/574160821.db2.gz	YLSMLECOPOTZOH-JTQLQIEISA-N	-1	0	296.282	2.569	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NNc2ccccc2)c1	ZINC000746676393	574161892	/nfs/dbraw/zinc/16/18/92/574161892.db2.gz	DZRFBFPOZLYDTM-UHFFFAOYSA-N	-1	0	284.315	2.986	20	30		CFEDRM
Cc1cccn2c(C=NNc3ccc(C(=O)[O-])cc3)cnc12	ZINC000755453855	574163034	/nfs/dbraw/zinc/16/30/34/574163034.db2.gz	CSKZUYHNCMCEKP-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
CCn1ccnc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755467591	574163680	/nfs/dbraw/zinc/16/36/80/574163680.db2.gz	QMBACYUDGUCWNI-UHFFFAOYSA-N	-1	0	292.726	2.701	20	30		CFEDRM
O=[N+]([O-])c1cccc(NN=Cc2cccc(F)c2[O-])c1	ZINC000755481540	574164773	/nfs/dbraw/zinc/16/47/73/574164773.db2.gz	LIDRGVKHZZCFLK-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2o1	ZINC000732708028	574166166	/nfs/dbraw/zinc/16/61/66/574166166.db2.gz	JSKUSKYTOUYEGH-CFHLNLSMSA-N	-1	0	296.326	2.987	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738488863	574170752	/nfs/dbraw/zinc/17/07/52/574170752.db2.gz	OCOMWIUFTWUFRB-CABZTGNLSA-N	-1	0	296.754	2.730	20	30		CFEDRM
CCC[C@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755618248	574172286	/nfs/dbraw/zinc/17/22/86/574172286.db2.gz	YKFNOLAXKNKBQD-JTQLQIEISA-N	-1	0	275.377	2.955	20	30		CFEDRM
CCC[C@@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755618249	574172346	/nfs/dbraw/zinc/17/23/46/574172346.db2.gz	YKFNOLAXKNKBQD-SNVBAGLBSA-N	-1	0	275.377	2.955	20	30		CFEDRM
Cc1ccc(C=NOCc2cc(C(=O)[O-])co2)cc1	ZINC000738582877	574174934	/nfs/dbraw/zinc/17/49/34/574174934.db2.gz	JOJDNBJGPVLWNH-UHFFFAOYSA-N	-1	0	259.261	2.837	20	30		CFEDRM
C[C@H](CCC(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000755740341	574182905	/nfs/dbraw/zinc/18/29/05/574182905.db2.gz	LFCKIJQWSDKJPH-VXGBXAGGSA-N	-1	0	289.379	2.774	20	30		CFEDRM
C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])c1cccc(C#N)c1	ZINC000739042145	574194624	/nfs/dbraw/zinc/19/46/24/574194624.db2.gz	IMEFUTFKQJYSQU-JTQLQIEISA-N	-1	0	290.319	2.599	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)CC2CCCC2)C(=O)[O-])cc1	ZINC000739107382	574198757	/nfs/dbraw/zinc/19/87/57/574198757.db2.gz	AZNOJKOBSWRXAI-HNNXBMFYSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1ccc(CCC(=O)OCc2cc(C(=O)[O-])co2)cc1	ZINC000739116481	574199117	/nfs/dbraw/zinc/19/91/17/574199117.db2.gz	AFNMMEBKDTZUQO-UHFFFAOYSA-N	-1	0	299.282	2.525	20	30		CFEDRM
N#Cc1ccccc1OCc1ccc(F)cc1C(=O)[O-]	ZINC000739146926	574199689	/nfs/dbraw/zinc/19/96/89/574199689.db2.gz	MJIZPOSDLYUPCG-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000756231897	574217759	/nfs/dbraw/zinc/21/77/59/574217759.db2.gz	PFMKAPCKTLQOHG-IAQYHMDHSA-N	-1	0	284.359	2.801	20	30		CFEDRM
O=C([O-])C[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1	ZINC000739624460	574220720	/nfs/dbraw/zinc/22/07/20/574220720.db2.gz	KIBHCEXPRSIMMT-VGSSETLESA-N	-1	0	285.299	2.733	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000740320575	574246923	/nfs/dbraw/zinc/24/69/23/574246923.db2.gz	UTJYWCPOXWKKAU-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1nc(NC[C@@H]2CCCCN2C(=O)[O-])ccc1Cl	ZINC000740324997	574247190	/nfs/dbraw/zinc/24/71/90/574247190.db2.gz	RSLBMTADPYMJSG-VIFPVBQESA-N	-1	0	294.742	2.551	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc32)c1	ZINC000748411872	574251295	/nfs/dbraw/zinc/25/12/95/574251295.db2.gz	BFSQFIGTMOZDMI-CYBMUJFWSA-N	-1	0	264.284	2.542	20	30		CFEDRM
COc1ccc(C)cc1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411216	574251403	/nfs/dbraw/zinc/25/14/03/574251403.db2.gz	YTAYZMQUIXZZOR-UHFFFAOYSA-N	-1	0	296.326	2.762	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccccc1F	ZINC000740619371	574258615	/nfs/dbraw/zinc/25/86/15/574258615.db2.gz	DHJOQTJXWTXILQ-SECBINFHSA-N	-1	0	265.288	2.661	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O	ZINC000740631064	574259631	/nfs/dbraw/zinc/25/96/31/574259631.db2.gz	WTUZHCVOXNHSEE-JVYTYZJESA-N	-1	0	276.336	2.638	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccc(O)cc1	ZINC000756899329	574271320	/nfs/dbraw/zinc/27/13/20/574271320.db2.gz	WQTNKUWRTOVMEM-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C1CCOCC1	ZINC000756901226	574271524	/nfs/dbraw/zinc/27/15/24/574271524.db2.gz	LSVMIRBOMDODKG-UHFFFAOYSA-N	-1	0	292.335	2.608	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1CCCC1	ZINC000756906326	574271868	/nfs/dbraw/zinc/27/18/68/574271868.db2.gz	YXKNAKAZHQIVMO-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cccc(C)c1C	ZINC000734296172	574280490	/nfs/dbraw/zinc/28/04/90/574280490.db2.gz	NPKJGIIMZSUKIM-UHFFFAOYSA-N	-1	0	280.335	2.806	20	30		CFEDRM
CCCCCCCC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1	ZINC000739333679	574289733	/nfs/dbraw/zinc/28/97/33/574289733.db2.gz	YFFYZCJMZJUEIE-LBPRGKRZSA-N	-1	0	270.373	2.558	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CC1CCCC1	ZINC000741847512	574306569	/nfs/dbraw/zinc/30/65/69/574306569.db2.gz	MLWHMPQSFCLCHP-UHFFFAOYSA-N	-1	0	273.361	2.709	20	30		CFEDRM
Oc1ccccc1/C=N/Cc1cccc(-n2cncn2)c1	ZINC000735413967	574322671	/nfs/dbraw/zinc/32/26/71/574322671.db2.gz	ARTIHJFPNAGWNQ-LICLKQGHSA-N	-1	0	278.315	2.592	20	30		CFEDRM
N#CCCCCOC(=O)c1ccccc1NC(=O)[O-]	ZINC000739068196	574343522	/nfs/dbraw/zinc/34/35/22/574343522.db2.gz	BFBCSDVGOPIQHG-UHFFFAOYSA-N	-1	0	262.265	2.627	20	30		CFEDRM
Cc1nnc(NN=C(CC2CC2)c2ccccc2)[n-]c1=O	ZINC000735970719	574344777	/nfs/dbraw/zinc/34/47/77/574344777.db2.gz	NEAXXQMFWNMSLX-UHFFFAOYSA-N	-1	0	283.335	2.502	20	30		CFEDRM
C#CCOc1ccccc1OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000736087460	574350342	/nfs/dbraw/zinc/35/03/42/574350342.db2.gz	HRNVYLXHPNIOST-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C#CCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000736088700	574350505	/nfs/dbraw/zinc/35/05/05/574350505.db2.gz	BMBBGTSORCXRFD-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736095008	574350662	/nfs/dbraw/zinc/35/06/62/574350662.db2.gz	DBQKROVDIUCMOP-UHFFFAOYSA-N	-1	0	291.351	2.884	20	30		CFEDRM
C#Cc1cccc(Nc2nc(C)c(C(=O)[O-])s2)c1	ZINC000736095241	574350758	/nfs/dbraw/zinc/35/07/58/574350758.db2.gz	NNDNIEVKXYEOQJ-UHFFFAOYSA-N	-1	0	258.302	2.875	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736097346	574351224	/nfs/dbraw/zinc/35/12/24/574351224.db2.gz	IXGPEXKASXWEEY-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1	ZINC000736096063	574351337	/nfs/dbraw/zinc/35/13/37/574351337.db2.gz	HHAOUXWXNPCHLG-UHFFFAOYSA-N	-1	0	292.310	2.954	20	30		CFEDRM
C=CCc1ccccc1OC(=O)CCCN(C)C(=O)[O-]	ZINC000736114762	574351613	/nfs/dbraw/zinc/35/16/13/574351613.db2.gz	QSTCDSSDWVLEPB-UHFFFAOYSA-N	-1	0	277.320	2.711	20	30		CFEDRM
C/C(=C/CSc1nc(C)cc(C)c1C#N)C(=O)[O-]	ZINC000736120836	574351857	/nfs/dbraw/zinc/35/18/57/574351857.db2.gz	DWYBWPYWOCTMTF-YWEYNIOJSA-N	-1	0	262.334	2.693	20	30		CFEDRM
C[C@H](C#N)CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736203899	574354098	/nfs/dbraw/zinc/35/40/98/574354098.db2.gz	WKJVYHMMYQMGRR-BXKDBHETSA-N	-1	0	266.728	2.557	20	30		CFEDRM
COc1ccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000750925079	574363344	/nfs/dbraw/zinc/36/33/44/574363344.db2.gz	PQCSYFCNMOLSOZ-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000398202192	574363879	/nfs/dbraw/zinc/36/38/79/574363879.db2.gz	FZLZHUHORBAPHQ-QWRGUYRKSA-N	-1	0	270.373	2.530	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736355658	574364405	/nfs/dbraw/zinc/36/44/05/574364405.db2.gz	RLAFNWRQMFZNMN-ZWNOBZJWSA-N	-1	0	275.304	2.519	20	30		CFEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736401168	574367468	/nfs/dbraw/zinc/36/74/68/574367468.db2.gz	CVVWYRMYJBLDQC-OAHLLOKOSA-N	-1	0	289.335	2.835	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000751516021	574378169	/nfs/dbraw/zinc/37/81/69/574378169.db2.gz	DLXBOUONIOPSRP-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2ccccc2s1	ZINC000752474157	574391705	/nfs/dbraw/zinc/39/17/05/574391705.db2.gz	QIAAQYGCKFFCQM-JTQLQIEISA-N	-1	0	292.323	2.986	20	30		CFEDRM
CCC(CC)(CNc1cccc(F)c1C#N)NC(=O)[O-]	ZINC000826566479	603523557	/nfs/dbraw/zinc/52/35/57/603523557.db2.gz	KSOHCCXBTRBISG-UHFFFAOYSA-N	-1	0	279.315	2.936	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2sccc2C(=O)[O-])s1	ZINC000833071907	601277977	/nfs/dbraw/zinc/27/79/77/601277977.db2.gz	MSYDNDFIGMUYND-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000087844997	597181837	/nfs/dbraw/zinc/18/18/37/597181837.db2.gz	CGFQAGXDFOBXIK-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ncc(C#N)cc1Cl	ZINC000263425946	597363635	/nfs/dbraw/zinc/36/36/35/597363635.db2.gz	RFFOCJTYSIQYLZ-UHFFFAOYSA-N	-1	0	267.716	2.662	20	30		CFEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000820161243	597606398	/nfs/dbraw/zinc/60/63/98/597606398.db2.gz	NHERMNJQHCUICZ-RMLUDKJBSA-N	-1	0	297.257	2.574	20	30		CFEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000820161244	597606403	/nfs/dbraw/zinc/60/64/03/597606403.db2.gz	NHERMNJQHCUICZ-RTHLEPHNSA-N	-1	0	297.257	2.574	20	30		CFEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000820161242	597606522	/nfs/dbraw/zinc/60/65/22/597606522.db2.gz	NHERMNJQHCUICZ-CLAHSXSESA-N	-1	0	297.257	2.574	20	30		CFEDRM
COc1ccccc1-c1ccc(C=NNCCC(=O)[O-])cc1	ZINC000820871286	597743933	/nfs/dbraw/zinc/74/39/33/597743933.db2.gz	VHJRONXHRSKMSG-UHFFFAOYSA-N	-1	0	298.342	2.760	20	30		CFEDRM
COc1cc(C#N)ccc1CNc1cccc(CC(=O)[O-])c1	ZINC000820754668	598087100	/nfs/dbraw/zinc/08/71/00/598087100.db2.gz	IOFAGHQKJLEOIJ-UHFFFAOYSA-N	-1	0	296.326	2.806	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2ccc(F)c(F)c2)CC1	ZINC000821483604	598097621	/nfs/dbraw/zinc/09/76/21/598097621.db2.gz	QNMGGXZQQLPMAB-UHFFFAOYSA-N	-1	0	282.290	2.685	20	30		CFEDRM
CN(C(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000061984412	598140781	/nfs/dbraw/zinc/14/07/81/598140781.db2.gz	OGOAHUPJBWLFOA-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
Cc1csc([C@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC000821147019	598160079	/nfs/dbraw/zinc/16/00/79/598160079.db2.gz	ROGKOVWPFWQPKI-LLVKDONJSA-N	-1	0	286.312	2.640	20	30		CFEDRM
N#Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1	ZINC000037716803	598181673	/nfs/dbraw/zinc/18/16/73/598181673.db2.gz	KHUBOGUYVUGWRO-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCc2ccccc2)c1	ZINC000814791810	598201377	/nfs/dbraw/zinc/20/13/77/598201377.db2.gz	NCORMZLQZJLPDI-UHFFFAOYSA-N	-1	0	255.273	2.936	20	30		CFEDRM
Cc1cc(Cl)ccc1OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820976466	598221903	/nfs/dbraw/zinc/22/19/03/598221903.db2.gz	HSHWECULUBYXBV-ZDUSSCGKSA-N	-1	0	281.695	2.558	20	30		CFEDRM
Cc1ccc(Cl)c(OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821083510	598222272	/nfs/dbraw/zinc/22/22/72/598222272.db2.gz	KKIABZIGXVAYDF-CYBMUJFWSA-N	-1	0	281.695	2.558	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000136019867	600274686	/nfs/dbraw/zinc/27/46/86/600274686.db2.gz	SSHLLHZXULUREC-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000059269354	600531538	/nfs/dbraw/zinc/53/15/38/600531538.db2.gz	PBJVSQNKLCGXRU-GFCCVEGCSA-N	-1	0	257.374	2.962	20	30		CFEDRM
C[C@@H](CSCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000086109042	600600483	/nfs/dbraw/zinc/60/04/83/600600483.db2.gz	HUDAQGLLHRGSNY-QMMMGPOBSA-N	-1	0	253.298	2.651	20	30		CFEDRM
CCCCCCCC(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000117624268	600664261	/nfs/dbraw/zinc/66/42/61/600664261.db2.gz	SKNWCEKSOBYTAU-LBPRGKRZSA-N	-1	0	287.425	2.766	20	30		CFEDRM
N#CCSCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC000833067770	600820525	/nfs/dbraw/zinc/82/05/25/600820525.db2.gz	ILWFDBYSUDDYPL-UHFFFAOYSA-N	-1	0	290.388	2.784	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825699081	600874567	/nfs/dbraw/zinc/87/45/67/600874567.db2.gz	RKKXZHKYLSGLGB-UHFFFAOYSA-N	-1	0	296.298	2.837	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1F	ZINC000111476068	600927824	/nfs/dbraw/zinc/92/78/24/600927824.db2.gz	ILAVDRJBBBCSEB-ZJUUUORDSA-N	-1	0	290.294	2.527	20	30		CFEDRM
C=CCOc1ccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cc1	ZINC000825699007	600948790	/nfs/dbraw/zinc/94/87/90/600948790.db2.gz	PJOSYGIDSZTBTA-CQSZACIVSA-N	-1	0	292.331	2.908	20	30		CFEDRM
C=CCN(C/C=C(\C)C(=O)[O-])Cc1ccccc1F	ZINC000825682190	601051774	/nfs/dbraw/zinc/05/17/74/601051774.db2.gz	SBBWIGHRGUTPIB-XYOKQWHBSA-N	-1	0	263.312	2.845	20	30		CFEDRM
CCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829210097	601109165	/nfs/dbraw/zinc/10/91/65/601109165.db2.gz	ZKSIUIJZJXNAFK-GXFFZTMASA-N	-1	0	275.304	2.663	20	30		CFEDRM
N#CCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000111476042	601126067	/nfs/dbraw/zinc/12/60/67/601126067.db2.gz	YOUXOSDNKQTAIQ-CHWSQXEVSA-N	-1	0	286.331	2.582	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000829692981	601127685	/nfs/dbraw/zinc/12/76/85/601127685.db2.gz	SDTQJHIEVSLVPV-UHFFFAOYSA-N	-1	0	294.286	2.683	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000825600293	601143208	/nfs/dbraw/zinc/14/32/08/601143208.db2.gz	IDYXNRDJZBDPHH-ZDUSSCGKSA-N	-1	0	273.288	2.735	20	30		CFEDRM
C#CC[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000825600321	601143306	/nfs/dbraw/zinc/14/33/06/601143306.db2.gz	JNBVYNOOBGOUHP-OAHLLOKOSA-N	-1	0	286.327	2.663	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000825671101	601162900	/nfs/dbraw/zinc/16/29/00/601162900.db2.gz	CHMFUVPUEBTYCI-SWLSCSKDSA-N	-1	0	275.348	2.921	20	30		CFEDRM
Cc1c(NC(=O)c2ccc(C#N)s2)cccc1C(=O)[O-]	ZINC000832856339	601277367	/nfs/dbraw/zinc/27/73/67/601277367.db2.gz	OPWMXNLQCDGRGP-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
Cc1ccc(NC(=O)Cc2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000832943638	601277409	/nfs/dbraw/zinc/27/74/09/601277409.db2.gz	BHPRGFNNSNUQNX-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
Cc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832963807	601330706	/nfs/dbraw/zinc/33/07/06/601330706.db2.gz	QNEBXDPPKWCJJY-SOFGYWHQSA-N	-1	0	255.273	2.917	20	30		CFEDRM
Cc1ccsc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000832984550	601332714	/nfs/dbraw/zinc/33/27/14/601332714.db2.gz	VUGPECKJDLTQOY-HWKANZROSA-N	-1	0	261.302	2.979	20	30		CFEDRM
CCCCCC[C@H](C)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000829357679	601337125	/nfs/dbraw/zinc/33/71/25/601337125.db2.gz	TWTBHHWFADOSRX-NSHDSACASA-N	-1	0	265.357	2.995	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc(Cl)c2F)[nH]1	ZINC000833312630	601337579	/nfs/dbraw/zinc/33/75/79/601337579.db2.gz	RYZXRXYSPVRNDA-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
CCC/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209394	601350994	/nfs/dbraw/zinc/35/09/94/601350994.db2.gz	VNPKNMNQPCFICN-MEODZPNASA-N	-1	0	287.315	2.974	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCCC1	ZINC000165376916	601379135	/nfs/dbraw/zinc/37/91/35/601379135.db2.gz	GATCLMCZYVHGHU-UHFFFAOYSA-N	-1	0	289.291	2.523	20	30		CFEDRM
N#Cc1nnc2ccccc2c1NCC1(C(=O)[O-])CCCC1	ZINC000833079842	601379365	/nfs/dbraw/zinc/37/93/65/601379365.db2.gz	ZXAVKWDBHLDRLP-UHFFFAOYSA-N	-1	0	296.330	2.558	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(F)c2)[nH]1	ZINC000833095618	601444849	/nfs/dbraw/zinc/44/48/49/601444849.db2.gz	VVKYIOGPQWEFMA-FNORWQNLSA-N	-1	0	259.236	2.748	20	30		CFEDRM
O=C([O-])CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1	ZINC000833248847	601465019	/nfs/dbraw/zinc/46/50/19/601465019.db2.gz	VDXFCWCVACBDNC-UHFFFAOYSA-N	-1	0	297.276	2.606	20	30		CFEDRM
N#CCN(Cc1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000833066593	601641989	/nfs/dbraw/zinc/64/19/89/601641989.db2.gz	BWWUUVBXGXXAHK-UHFFFAOYSA-N	-1	0	276.311	2.792	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000825675940	601725449	/nfs/dbraw/zinc/72/54/49/601725449.db2.gz	LIUVRFCAHUKHDL-SNVBAGLBSA-N	-1	0	296.294	2.548	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc(F)c2)c[nH]1	ZINC000833092682	601791532	/nfs/dbraw/zinc/79/15/32/601791532.db2.gz	JTWPYMFEDLTGFS-PLNGDYQASA-N	-1	0	259.236	2.748	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)cc2F)c[nH]1	ZINC000833297479	601792575	/nfs/dbraw/zinc/79/25/75/601792575.db2.gz	GUDZBXBVIBDYEB-DAFODLJHSA-N	-1	0	277.226	2.887	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)c[nH]1	ZINC000833298018	601793448	/nfs/dbraw/zinc/79/34/48/601793448.db2.gz	MAGSNRANLTUOSY-UUILKARUSA-N	-1	0	289.674	2.983	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3ccc(F)cc3C2=O)c[nH]1	ZINC000833298398	601794515	/nfs/dbraw/zinc/79/45/15/601794515.db2.gz	TVQBHHWXNWKLPN-XCVCLJGOSA-N	-1	0	271.247	2.674	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2ccc(OCC(=O)[O-])cc2)c1	ZINC000825804272	601806650	/nfs/dbraw/zinc/80/66/50/601806650.db2.gz	CMSGBJCNTDYLHZ-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
COc1cc(C#N)ccc1OCc1ccsc1C(=O)[O-]	ZINC000110952431	601889471	/nfs/dbraw/zinc/88/94/71/601889471.db2.gz	CEVIDUIKLPNVAL-UHFFFAOYSA-N	-1	0	289.312	2.906	20	30		CFEDRM
CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)c1ccc(C#N)cc1	ZINC000829590848	602119825	/nfs/dbraw/zinc/11/98/25/602119825.db2.gz	HHJHWLRATSDDDJ-NWDGAFQWSA-N	-1	0	288.347	2.579	20	30		CFEDRM
CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1	ZINC000829590849	602119959	/nfs/dbraw/zinc/11/99/59/602119959.db2.gz	HHJHWLRATSDDDJ-RYUDHWBXSA-N	-1	0	288.347	2.579	20	30		CFEDRM
C#CCCCCNc1nc(Cl)c(C(=O)[O-])s1	ZINC000309396787	602146084	/nfs/dbraw/zinc/14/60/84/602146084.db2.gz	ILWLWHOXQJNEKZ-UHFFFAOYSA-N	-1	0	258.730	2.710	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cc(C(=O)[O-])cs2)c1	ZINC000833074436	602187314	/nfs/dbraw/zinc/18/73/14/602187314.db2.gz	XXYFAGBWVLQBQK-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
N#Cc1cc(COC(=O)c2ccccc2C(=O)[O-])ccc1F	ZINC000833068623	602267980	/nfs/dbraw/zinc/26/79/80/602267980.db2.gz	FHANANHHMVDWSR-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1ccc(F)c(C#N)c1	ZINC000235074112	602289145	/nfs/dbraw/zinc/28/91/45/602289145.db2.gz	JAWQNZZCNXREPA-QMMMGPOBSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C[C@H](CSCc1ccc(F)c(C#N)c1)C(=O)[O-]	ZINC000235486323	602289180	/nfs/dbraw/zinc/28/91/80/602289180.db2.gz	XIOZUOKOIMJSIC-MRVPVSSYSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])c1cccc(C)n1	ZINC000825660039	602295388	/nfs/dbraw/zinc/29/53/88/602295388.db2.gz	NUAOIKCBRZOZJW-UHFFFAOYSA-N	-1	0	288.347	2.576	20	30		CFEDRM
C/C(=C/COc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000128907637	602311634	/nfs/dbraw/zinc/31/16/34/602311634.db2.gz	KBCJIZPSCKUHTR-YWEYNIOJSA-N	-1	0	251.669	2.621	20	30		CFEDRM
Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1NC(=O)[O-]	ZINC000830204924	602815880	/nfs/dbraw/zinc/81/58/80/602815880.db2.gz	KSKQAQDALCJSEB-GFCCVEGCSA-N	-1	0	289.335	2.753	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823516778	602824561	/nfs/dbraw/zinc/82/45/61/602824561.db2.gz	VNSBEILSIIZRHT-UHFFFAOYSA-N	-1	0	296.298	2.837	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)NC(=O)[O-]	ZINC000823500549	602918147	/nfs/dbraw/zinc/91/81/47/602918147.db2.gz	GTUWHPNMRVUTHL-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)C#N)cc1	ZINC000825418696	603182822	/nfs/dbraw/zinc/18/28/22/603182822.db2.gz	VUTGWWNPWQTTRJ-SECBINFHSA-N	-1	0	275.308	2.503	20	30		CFEDRM
CN(C[C@@H]1CCN(c2c(Cl)cccc2C#N)C1)C(=O)[O-]	ZINC000828266845	603186159	/nfs/dbraw/zinc/18/61/59/603186159.db2.gz	JFXUAEAZSFEYIK-JTQLQIEISA-N	-1	0	293.754	2.648	20	30		CFEDRM
N#Cc1ccc(NC[C@H](NC(=O)[O-])c2ccccc2)cc1	ZINC000831137260	603201626	/nfs/dbraw/zinc/20/16/26/603201626.db2.gz	UXNXOODPAYQKIS-HNNXBMFYSA-N	-1	0	281.315	2.979	20	30		CFEDRM
CN(C[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000828236609	603205420	/nfs/dbraw/zinc/20/54/20/603205420.db2.gz	SEXKXLTVDKULDS-LBPRGKRZSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CN(C[C@H]1CCCN1c1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000828236606	603205433	/nfs/dbraw/zinc/20/54/33/603205433.db2.gz	SEXKXLTVDKULDS-GFCCVEGCSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000739285068	603294545	/nfs/dbraw/zinc/29/45/45/603294545.db2.gz	QEENYLIDOSKLGE-SECBINFHSA-N	-1	0	295.726	2.852	20	30		CFEDRM
Cc1cccc(NN=Cc2ccc(NC(=O)[O-])nc2)c1	ZINC000830521607	603485113	/nfs/dbraw/zinc/48/51/13/603485113.db2.gz	KHPCABSRSQDXDY-UHFFFAOYSA-N	-1	0	270.292	2.926	20	30		CFEDRM
N#C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1	ZINC000831070564	603615679	/nfs/dbraw/zinc/61/56/79/603615679.db2.gz	NSDULVJUFOMSHQ-LLVKDONJSA-N	-1	0	294.694	2.889	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-]	ZINC000900337803	620660954	/nfs/dbraw/zinc/66/09/54/620660954.db2.gz	NVHPUTBMMUYYFV-NSHDSACASA-N	-1	0	294.738	2.555	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000900337831	620660964	/nfs/dbraw/zinc/66/09/64/620660964.db2.gz	OQRZGOGBQJEAMJ-NSHDSACASA-N	-1	0	294.738	2.555	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(CCC)[C@@H](CC)C(=O)[O-])cc1	ZINC000900355016	620663613	/nfs/dbraw/zinc/66/36/13/620663613.db2.gz	FTBMMBRZJBMJJG-AWEZNQCLSA-N	-1	0	288.347	2.775	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1	ZINC000900355637	620663814	/nfs/dbraw/zinc/66/38/14/620663814.db2.gz	RMRGTSTVHPOQPI-AAEUAGOBSA-N	-1	0	292.310	2.749	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](CCCC=C)C(=O)[O-])cc1	ZINC000900356005	620664079	/nfs/dbraw/zinc/66/40/79/620664079.db2.gz	YIDSSOIWMIWCSN-AWEZNQCLSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1	ZINC000900355347	620664146	/nfs/dbraw/zinc/66/41/46/620664146.db2.gz	LUILMTNMCXDXBY-CYBMUJFWSA-N	-1	0	288.347	2.679	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2snc(Cl)c2C#N)C1	ZINC000900375827	620666531	/nfs/dbraw/zinc/66/65/31/620666531.db2.gz	LVSKTAQUDOERLA-GFCCVEGCSA-N	-1	0	299.783	2.749	20	30		CFEDRM
C=C(Cl)COC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823486247	603956204	/nfs/dbraw/zinc/95/62/04/603956204.db2.gz	SIMDBSXAJXVWOO-UHFFFAOYSA-N	-1	0	269.684	2.994	20	30		CFEDRM
Cc1ccc(C(=O)OCCCC#N)cc1NC(=O)[O-]	ZINC000830238723	603960272	/nfs/dbraw/zinc/96/02/72/603960272.db2.gz	SVBUDTKEAZNWKA-UHFFFAOYSA-N	-1	0	262.265	2.546	20	30		CFEDRM
C=CCCCc1nc(C2(NC(=O)[O-])CCCC2)no1	ZINC000823495996	604036976	/nfs/dbraw/zinc/03/69/76/604036976.db2.gz	BWWQHNOCINGBFN-UHFFFAOYSA-N	-1	0	265.313	2.615	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000825274924	604052486	/nfs/dbraw/zinc/05/24/86/604052486.db2.gz	VZCRVURNZWPDIV-ZYHUDNBSSA-N	-1	0	291.326	2.570	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000825274921	604052504	/nfs/dbraw/zinc/05/25/04/604052504.db2.gz	VZCRVURNZWPDIV-CMPLNLGQSA-N	-1	0	291.326	2.570	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000823758812	604089295	/nfs/dbraw/zinc/08/92/95/604089295.db2.gz	AGRQHADMSOVDPQ-NSHDSACASA-N	-1	0	293.298	2.584	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1	ZINC000823440982	604212157	/nfs/dbraw/zinc/21/21/57/604212157.db2.gz	OMSOIDUONVXRQD-ZDUSSCGKSA-N	-1	0	291.278	2.874	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823496893	604358719	/nfs/dbraw/zinc/35/87/19/604358719.db2.gz	RWLTZRMKHPSJKI-ZIAGYGMSSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=CCCOC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823496535	604413868	/nfs/dbraw/zinc/41/38/68/604413868.db2.gz	KZKACGSGFLHNQQ-NEPJUHHUSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)OCC	ZINC000833366916	604537344	/nfs/dbraw/zinc/53/73/44/604537344.db2.gz	FUCYPOKUCYAIRE-ZDUSSCGKSA-N	-1	0	277.320	2.695	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)OCC	ZINC000833367522	604566532	/nfs/dbraw/zinc/56/65/32/604566532.db2.gz	NDRVIJCCTIDBIX-CYBMUJFWSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=CCC[C@@H](O)CN1CCCN(C(=O)[O-])c2ccccc21	ZINC000823496452	604575611	/nfs/dbraw/zinc/57/56/11/604575611.db2.gz	JUVZHXJOJJQEGN-CYBMUJFWSA-N	-1	0	290.363	2.708	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H]1CC(=O)[O-]	ZINC000104520023	604576752	/nfs/dbraw/zinc/57/67/52/604576752.db2.gz	DYQITPNCSPVWJV-LBPRGKRZSA-N	-1	0	255.358	2.813	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COC(=O)C1(C#N)CC(C)C1	ZINC000830379034	604603803	/nfs/dbraw/zinc/60/38/03/604603803.db2.gz	HAEYCPJSXRAWKA-UHFFFAOYSA-N	-1	0	291.303	2.523	20	30		CFEDRM
C[C@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(C(=O)[O-])o1	ZINC000828156337	604604077	/nfs/dbraw/zinc/60/40/77/604604077.db2.gz	IARYRGMXPAEMOW-PUUHTONNSA-N	-1	0	277.276	2.522	20	30		CFEDRM
O=C([O-])COc1ccc(C(=O)/C=C/c2cncs2)cc1	ZINC000833252881	604628002	/nfs/dbraw/zinc/62/80/02/604628002.db2.gz	OYWPCQVKGQUVKV-AATRIKPKSA-N	-1	0	289.312	2.503	20	30		CFEDRM
C[C@H]1C[C@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763371677	604668571	/nfs/dbraw/zinc/66/85/71/604668571.db2.gz	HUQVARRLKPPHNQ-JOYOIKCWSA-N	-1	0	285.303	2.942	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1ccc(C(=O)[O-])o1	ZINC000833532737	604721392	/nfs/dbraw/zinc/72/13/92/604721392.db2.gz	SIYGRBNYJPPPBZ-SNVBAGLBSA-N	-1	0	299.282	2.962	20	30		CFEDRM
C[C@@H](C#N)CNN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000825966638	604792046	/nfs/dbraw/zinc/79/20/46/604792046.db2.gz	ISJUSUKZXMQRSD-NSHDSACASA-N	-1	0	297.314	2.728	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)OCC#Cc2ccc(F)cc2)c1	ZINC000833328569	604863560	/nfs/dbraw/zinc/86/35/60/604863560.db2.gz	PERCJFWDPSXSAW-UHFFFAOYSA-N	-1	0	298.269	2.732	20	30		CFEDRM
N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000013224077	604865295	/nfs/dbraw/zinc/86/52/95/604865295.db2.gz	QQCINQDNUVBIQE-HNNXBMFYSA-N	-1	0	294.310	2.504	20	30		CFEDRM
C=CCOc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1	ZINC000316428244	604905593	/nfs/dbraw/zinc/90/55/93/604905593.db2.gz	QDGBJBQQTJSSNO-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823496848	604941864	/nfs/dbraw/zinc/94/18/64/604941864.db2.gz	QELGODQIYBPKKV-ZDUSSCGKSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000692864636	605004773	/nfs/dbraw/zinc/00/47/73/605004773.db2.gz	COJVQTLLURNCBK-NSHDSACASA-N	-1	0	279.361	2.574	20	30		CFEDRM
C=C(CC)COc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833370145	605005208	/nfs/dbraw/zinc/00/52/08/605005208.db2.gz	LFVTVZLMFOYNAZ-UHFFFAOYSA-N	-1	0	264.277	2.516	20	30		CFEDRM
C#CCOc1ccc(N[C@H](CCCC)C(=O)[O-])cc1	ZINC000833367286	605005573	/nfs/dbraw/zinc/00/55/73/605005573.db2.gz	UHGDWIHIVCRWBD-CQSZACIVSA-N	-1	0	261.321	2.754	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000236463858	605009639	/nfs/dbraw/zinc/00/96/39/605009639.db2.gz	LFQCNVKCYMOXNW-UHFFFAOYSA-N	-1	0	263.268	2.656	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000235785429	605009737	/nfs/dbraw/zinc/00/97/37/605009737.db2.gz	DRHIEQHSOTVPHE-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000833362822	605014002	/nfs/dbraw/zinc/01/40/02/605014002.db2.gz	MEVWZQYFHAPRAE-BBRMVZONSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C#CCCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000232527514	605017720	/nfs/dbraw/zinc/01/77/20/605017720.db2.gz	UMRKPLNCHXMQSN-CYBMUJFWSA-N	-1	0	279.380	2.529	20	30		CFEDRM
C#CCCCCC(=O)Nc1nc(CC)c(C(=O)[O-])s1	ZINC000833363061	605032797	/nfs/dbraw/zinc/03/27/97/605032797.db2.gz	YRLSSIMTCIIHLS-UHFFFAOYSA-N	-1	0	280.349	2.536	20	30		CFEDRM
C#CCCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833364991	605038867	/nfs/dbraw/zinc/03/88/67/605038867.db2.gz	GEOWMALOKVNGJO-UHFFFAOYSA-N	-1	0	268.110	2.583	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cccc(F)c1F	ZINC000833407016	605040939	/nfs/dbraw/zinc/04/09/39/605040939.db2.gz	QDIMZEZDKWBOLW-VIFPVBQESA-N	-1	0	293.273	2.858	20	30		CFEDRM
CC#CCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F	ZINC000833381055	605102902	/nfs/dbraw/zinc/10/29/02/605102902.db2.gz	ZXVLLLXOJCPADT-UHFFFAOYSA-N	-1	0	287.237	2.761	20	30		CFEDRM
C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])[nH]1	ZINC000833402855	605116005	/nfs/dbraw/zinc/11/60/05/605116005.db2.gz	YVULDGKXLGKUKI-JTQLQIEISA-N	-1	0	285.303	2.616	20	30		CFEDRM
CC(C)(C)C[C@@H](Sc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833430152	605152830	/nfs/dbraw/zinc/15/28/30/605152830.db2.gz	ULITWHDDUAYKNB-SNVBAGLBSA-N	-1	0	264.350	2.935	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000833607020	605163923	/nfs/dbraw/zinc/16/39/23/605163923.db2.gz	YAQOISRNZICVAU-HONMWMINSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000833607019	605164023	/nfs/dbraw/zinc/16/40/23/605164023.db2.gz	YAQOISRNZICVAU-DDTOSNHZSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833362031	605281337	/nfs/dbraw/zinc/28/13/37/605281337.db2.gz	WGGWYULMKWESIG-UHFFFAOYSA-N	-1	0	293.298	2.841	20	30		CFEDRM
CC(C)(C#N)CCCn1nc(C(=O)[O-])c2c1CCCC2	ZINC000833408794	605295961	/nfs/dbraw/zinc/29/59/61/605295961.db2.gz	VHBVLXPIYKQXBV-UHFFFAOYSA-N	-1	0	275.352	2.790	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833368193	605392992	/nfs/dbraw/zinc/39/29/92/605392992.db2.gz	CFUOQVTUOFSHBU-UHFFFAOYSA-N	-1	0	263.297	2.816	20	30		CFEDRM
C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1	ZINC000833551120	605419480	/nfs/dbraw/zinc/41/94/80/605419480.db2.gz	GURLRNFKXMQGMX-UKRRQHHQSA-N	-1	0	276.311	2.577	20	30		CFEDRM
C=CCCCN(C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000136021997	605433819	/nfs/dbraw/zinc/43/38/19/605433819.db2.gz	NKLBVZAOPRIEOD-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1	ZINC000833551916	605477696	/nfs/dbraw/zinc/47/76/96/605477696.db2.gz	VNGDHFKZGJBJLI-HNNXBMFYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])nc2)c(F)c1	ZINC000831126362	605521069	/nfs/dbraw/zinc/52/10/69/605521069.db2.gz	BKWXAKCTRUPJJW-UHFFFAOYSA-N	-1	0	286.266	2.794	20	30		CFEDRM
C#CCCCCCOC(=O)c1cccc(C(=O)[O-])c1	ZINC000833361711	605521403	/nfs/dbraw/zinc/52/14/03/605521403.db2.gz	IJRGQOQNDOOCSG-UHFFFAOYSA-N	-1	0	260.289	2.735	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000833361782	605577413	/nfs/dbraw/zinc/57/74/13/605577413.db2.gz	LJAGRKALJXZNQC-OAHLLOKOSA-N	-1	0	287.359	2.902	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@H]1CCCOC1	ZINC000779753163	605593685	/nfs/dbraw/zinc/59/36/85/605593685.db2.gz	NRJVKBSRKAYGMY-LBPRGKRZSA-N	-1	0	262.309	2.599	20	30		CFEDRM
C#CCCCCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000833361705	605605287	/nfs/dbraw/zinc/60/52/87/605605287.db2.gz	HZLRNUZZECNGLC-UHFFFAOYSA-N	-1	0	285.343	2.811	20	30		CFEDRM
O=C([O-])NCCCN=Nc1ccc(C(F)(F)F)cc1	ZINC000834230372	605643564	/nfs/dbraw/zinc/64/35/64/605643564.db2.gz	UFVPUBWOLDKWFO-UHFFFAOYSA-N	-1	0	275.230	2.761	20	30		CFEDRM
N#CCOc1cccc(NC2CCC(NC(=O)[O-])CC2)c1	ZINC000833967254	605717949	/nfs/dbraw/zinc/71/79/49/605717949.db2.gz	IGWBXENTXKVKFX-UHFFFAOYSA-N	-1	0	289.335	2.580	20	30		CFEDRM
O=C([O-])N1CC(C/N=C\c2c(O)ccc3ccccc32)C1	ZINC000834068430	605721043	/nfs/dbraw/zinc/72/10/43/605721043.db2.gz	VUNXSTZPJXKCBX-IUXPMGMMSA-N	-1	0	284.315	2.574	20	30		CFEDRM
C[C@@H](C#N)Oc1ccccc1NCc1ccoc1C(=O)[O-]	ZINC000833402472	605730192	/nfs/dbraw/zinc/73/01/92/605730192.db2.gz	NHNQMNGQWDTYAC-JTQLQIEISA-N	-1	0	286.287	2.881	20	30		CFEDRM
O=C([O-])N[C@@H]1CC(=NOCc2cccnc2)c2ccccc21	ZINC000834157706	605745381	/nfs/dbraw/zinc/74/53/81/605745381.db2.gz	LRRFFELVMYWDPU-CQSZACIVSA-N	-1	0	297.314	2.715	20	30		CFEDRM
C[C@@H](CCNc1ccc2cc(C#N)ccc2n1)NC(=O)[O-]	ZINC000833804109	605765090	/nfs/dbraw/zinc/76/50/90/605765090.db2.gz	CEKQHQIJWWJATL-JTQLQIEISA-N	-1	0	284.319	2.565	20	30		CFEDRM
C=CCNC(=O)CSCc1cc(C(=O)[O-])ccc1Cl	ZINC000833376605	605788365	/nfs/dbraw/zinc/78/83/65/605788365.db2.gz	JYLVKARZPKEFQE-UHFFFAOYSA-N	-1	0	299.779	2.574	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ccc(F)cc1F	ZINC000834170322	605857167	/nfs/dbraw/zinc/85/71/67/605857167.db2.gz	SXPYXQFEKWLJER-JTQLQIEISA-N	-1	0	269.251	2.553	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cccc2ncccc12	ZINC000834170861	605859471	/nfs/dbraw/zinc/85/94/71/605859471.db2.gz	WDASTCUKIZPIRK-ZDUSSCGKSA-N	-1	0	284.319	2.823	20	30		CFEDRM
N#Cc1ccccc1-c1ccc(CNC(=O)[O-])cc1	ZINC000833975695	605866901	/nfs/dbraw/zinc/86/69/01/605866901.db2.gz	FCILBVTZGSKVBA-UHFFFAOYSA-N	-1	0	252.273	2.993	20	30		CFEDRM
Cc1cc(C(=O)N[C@@](C)(C#N)C(C)C)ccc1NC(=O)[O-]	ZINC000829934502	605876259	/nfs/dbraw/zinc/87/62/59/605876259.db2.gz	MUSFGOXTFUTZND-HNNXBMFYSA-N	-1	0	289.335	2.753	20	30		CFEDRM
N#CCC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1	ZINC000833968468	605932549	/nfs/dbraw/zinc/93/25/49/605932549.db2.gz	KRNCQEJANGXVNL-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#Cc1c(Cl)cccc1SCCNC(=O)[O-]	ZINC000833970114	605992028	/nfs/dbraw/zinc/99/20/28/605992028.db2.gz	MONAGWCKZPTOFQ-UHFFFAOYSA-N	-1	0	256.714	2.571	20	30		CFEDRM
N#CCC[C@H](C#N)COc1cccc(NC(=O)[O-])c1	ZINC000833968821	606037690	/nfs/dbraw/zinc/03/76/90/606037690.db2.gz	OFRRJPSNQYBHBO-SNVBAGLBSA-N	-1	0	259.265	2.599	20	30		CFEDRM
O=C([O-])NC1(C/N=C\c2cc(Cl)ccc2O)CCC1	ZINC000834154014	606071417	/nfs/dbraw/zinc/07/14/17/606071417.db2.gz	HKUOERZLGDWXJA-CHHVJCJISA-N	-1	0	282.727	2.655	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048455732	618071996	/nfs/dbraw/zinc/07/19/96/618071996.db2.gz	BDLJEDBHBANXIE-UHFFFAOYSA-N	-1	0	291.369	2.614	20	30		CFEDRM
CC[C@H](CNc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000900975675	620735667	/nfs/dbraw/zinc/73/56/67/620735667.db2.gz	CYJBEOMHUDNWCC-SNVBAGLBSA-N	-1	0	275.352	2.773	20	30		CFEDRM
CCc1nc(C#N)cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])n1	ZINC000900961137	620737390	/nfs/dbraw/zinc/73/73/90/620737390.db2.gz	GEDDDSOWFRHWHB-NSHDSACASA-N	-1	0	290.367	2.602	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000890557633	617650901	/nfs/dbraw/zinc/65/09/01/617650901.db2.gz	CZTRQCJIOLSQIG-JTQLQIEISA-N	-1	0	274.345	2.907	20	30		CFEDRM
C#CCCOC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000859160910	617684260	/nfs/dbraw/zinc/68/42/60/617684260.db2.gz	KMHXSUQPYCIZPG-UHFFFAOYSA-N	-1	0	288.130	2.949	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cccc(OCC(=O)[O-])c1	ZINC000811671572	617715396	/nfs/dbraw/zinc/71/53/96/617715396.db2.gz	HOADMCKYISOYCO-DNYIRCPOSA-N	-1	0	283.711	2.643	20	30		CFEDRM
CNC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1	ZINC000255388210	617717402	/nfs/dbraw/zinc/71/74/02/617717402.db2.gz	BQUBDHDUPBTOIW-YWEYNIOJSA-N	-1	0	299.301	2.787	20	30		CFEDRM
CC(=NOC1CCC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000812235999	617747735	/nfs/dbraw/zinc/74/77/35/617747735.db2.gz	FQYKGOXXYOVFOW-UHFFFAOYSA-N	-1	0	262.309	2.690	20	30		CFEDRM
COc1cc(C(=O)/C=C\c2cnn3ccccc23)ccc1O	ZINC000255046445	617786590	/nfs/dbraw/zinc/78/65/90/617786590.db2.gz	HLIDDANCTCNBNM-SREVYHEPSA-N	-1	0	294.310	2.945	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(Br)s1	ZINC000082413889	618015103	/nfs/dbraw/zinc/01/51/03/618015103.db2.gz	HJASZSSTPSJROX-UHFFFAOYSA-N	-1	0	290.182	2.583	20	30		CFEDRM
Cc1nn(C)cc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000255162152	618023705	/nfs/dbraw/zinc/02/37/05/618023705.db2.gz	PBSFULYURNMNEY-ALCCZGGFSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(F)F)c(F)c1)C(=O)[O-]	ZINC000901245939	620770761	/nfs/dbraw/zinc/77/07/61/620770761.db2.gz	JCXKHLFFLBLQLJ-JTQLQIEISA-N	-1	0	274.242	2.550	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(C)c1Br)C(=O)[O-]	ZINC000901246963	620771418	/nfs/dbraw/zinc/77/14/18/620771418.db2.gz	VSCANZNHOXNARZ-JTQLQIEISA-N	-1	0	299.168	2.544	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255513596	618063930	/nfs/dbraw/zinc/06/39/30/618063930.db2.gz	ZACZUTVBMPTYPD-XQRVVYSFSA-N	-1	0	260.268	2.644	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000049003913	618077944	/nfs/dbraw/zinc/07/79/44/618077944.db2.gz	VQKKOMLULVUXKS-GFCCVEGCSA-N	-1	0	299.392	2.764	20	30		CFEDRM
CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417547	618081055	/nfs/dbraw/zinc/08/10/55/618081055.db2.gz	RPZASEGFBAGTMB-UHFFFAOYSA-N	-1	0	283.393	2.928	20	30		CFEDRM
CCNN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000901280768	620776274	/nfs/dbraw/zinc/77/62/74/620776274.db2.gz	BMHNVZJZJCDFSV-UHFFFAOYSA-N	-1	0	274.320	2.702	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(C)cc1	ZINC000846541642	618109624	/nfs/dbraw/zinc/10/96/24/618109624.db2.gz	JULWTLKFGCZUKN-NSHDSACASA-N	-1	0	251.351	2.709	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)c1ccc(F)cc1	ZINC000846547299	618112348	/nfs/dbraw/zinc/11/23/48/618112348.db2.gz	DERLWEVOIDWTOC-MFKMUULPSA-N	-1	0	251.301	2.942	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCOC23CCCC3)cc1	ZINC000901261002	620777731	/nfs/dbraw/zinc/77/77/31/620777731.db2.gz	AWXJJYARYBVMAO-UHFFFAOYSA-N	-1	0	288.347	2.815	20	30		CFEDRM
O=C([O-])Cc1ccc(NN=Cc2cnn(C3CCC3)c2)cc1	ZINC000901261519	620777813	/nfs/dbraw/zinc/77/78/13/620777813.db2.gz	KVAYGHDILMMIGH-UHFFFAOYSA-N	-1	0	298.346	2.681	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]O[C@H]1CCCCO1	ZINC000780980841	618127754	/nfs/dbraw/zinc/12/77/54/618127754.db2.gz	UMAJAHDORAPWLC-STQMWFEESA-N	-1	0	286.372	2.532	20	30		CFEDRM
C=C[C@@H](CCC(=O)[O-])NC(=O)O[C@H](C)CC(C)C	ZINC000926479294	618151689	/nfs/dbraw/zinc/15/16/89/618151689.db2.gz	JCAVMZFVKLOMMU-MNOVXSKESA-N	-1	0	257.330	2.567	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H](CC(C)C)OC	ZINC000841631659	618157675	/nfs/dbraw/zinc/15/76/75/618157675.db2.gz	KHAMDKSGRAVVDB-LBPRGKRZSA-N	-1	0	294.351	2.852	20	30		CFEDRM
Cc1cccn2c(/C=C\C(=O)c3cc(O)ccc3O)cnc12	ZINC000255334219	618203654	/nfs/dbraw/zinc/20/36/54/618203654.db2.gz	LARGMJYWJSXURX-XQRVVYSFSA-N	-1	0	294.310	2.950	20	30		CFEDRM
COc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176822257	618206185	/nfs/dbraw/zinc/20/61/85/618206185.db2.gz	FEEXZWQLBIQXLY-UHFFFAOYSA-N	-1	0	268.272	2.525	20	30		CFEDRM
O=C(/C=C/c1cccc2c1OCCO2)c1ccc(O)cc1[O-]	ZINC000176954678	618247068	/nfs/dbraw/zinc/24/70/68/618247068.db2.gz	QXDLPZQCQAVAOA-QPJJXVBHSA-N	-1	0	298.294	2.765	20	30		CFEDRM
O=C([O-])c1cc(C=NNC2CCC(F)(F)CC2)ccc1O	ZINC000901342079	620789475	/nfs/dbraw/zinc/78/94/75/620789475.db2.gz	WIOFVMLRSUXAAK-UHFFFAOYSA-N	-1	0	298.289	2.592	20	30		CFEDRM
N#Cc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1	ZINC000775656243	618296885	/nfs/dbraw/zinc/29/68/85/618296885.db2.gz	BYJOYPFJHPWUHC-UHFFFAOYSA-N	-1	0	286.718	2.847	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909449364	618327876	/nfs/dbraw/zinc/32/78/76/618327876.db2.gz	CGHXTJONYZSZBN-QGZVFWFLSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC)c1ccccc1	ZINC000179583037	618328555	/nfs/dbraw/zinc/32/85/55/618328555.db2.gz	RLPNTBUFFABUIL-ZDUSSCGKSA-N	-1	0	295.404	2.592	20	30		CFEDRM
Cc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179728207	618343182	/nfs/dbraw/zinc/34/31/82/618343182.db2.gz	LBKHNRVDPYQTQE-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c(C)c1	ZINC000046929988	618458809	/nfs/dbraw/zinc/45/88/09/618458809.db2.gz	COQKZJXXSVBYPV-GXSJLCMTSA-N	-1	0	267.350	2.605	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909504730	618459235	/nfs/dbraw/zinc/45/92/35/618459235.db2.gz	VATIDPSGENUNKT-SECBINFHSA-N	-1	0	296.392	2.929	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000255878011	618461843	/nfs/dbraw/zinc/46/18/43/618461843.db2.gz	BXLRZPHTIZORQM-QMAVJUDZSA-N	-1	0	269.329	2.736	20	30		CFEDRM
C=C1CCC(C(=O)NCc2nc(C)c(C(=O)[O-])s2)CC1	ZINC000909505506	618468187	/nfs/dbraw/zinc/46/81/87/618468187.db2.gz	ZCMDRYJKSFVCTH-UHFFFAOYSA-N	-1	0	294.376	2.512	20	30		CFEDRM
Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000193803978	618472873	/nfs/dbraw/zinc/47/28/73/618472873.db2.gz	YHDHAMCIDABPNA-GFCCVEGCSA-N	-1	0	290.750	2.593	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909508299	618490728	/nfs/dbraw/zinc/49/07/28/618490728.db2.gz	SHOZTKQLTRAITI-YMTOWFKASA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000901437004	620820292	/nfs/dbraw/zinc/82/02/92/620820292.db2.gz	CHGLPEGYPVNVJI-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000892844031	618755856	/nfs/dbraw/zinc/75/58/56/618755856.db2.gz	JFUXDSKXHUKDNV-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(O)cc2)ccc1O	ZINC000198795321	618973185	/nfs/dbraw/zinc/97/31/85/618973185.db2.gz	AJNOWISYVUNSPB-XFSBKJJWSA-N	-1	0	284.267	2.692	20	30		CFEDRM
COc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1O	ZINC000216174289	619083565	/nfs/dbraw/zinc/08/35/65/619083565.db2.gz	VUNYATWOLDFHNV-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000022409132	619102113	/nfs/dbraw/zinc/10/21/13/619102113.db2.gz	VDZNQEFBXISFAJ-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077879555	619124933	/nfs/dbraw/zinc/12/49/33/619124933.db2.gz	QPEVGOZCKNWPSD-GFCCVEGCSA-N	-1	0	299.392	2.849	20	30		CFEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC1	ZINC000077882023	619125742	/nfs/dbraw/zinc/12/57/42/619125742.db2.gz	ALLRNTRSZSVJLO-JTQLQIEISA-N	-1	0	267.350	2.834	20	30		CFEDRM
CCCCNN=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814805396	619259684	/nfs/dbraw/zinc/25/96/84/619259684.db2.gz	DOKJFUKUJLNWDS-LBPRGKRZSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CCC(C)(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000726832202	619264828	/nfs/dbraw/zinc/26/48/28/619264828.db2.gz	SRPXDLPTUIKCJS-SNVBAGLBSA-N	-1	0	294.376	2.607	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc1	ZINC000048518779	619349086	/nfs/dbraw/zinc/34/90/86/619349086.db2.gz	BBHMEEPGRULDKI-UHFFFAOYSA-N	-1	0	269.366	2.940	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518830	619349198	/nfs/dbraw/zinc/34/91/98/619349198.db2.gz	AYXUHSCECDXZNY-VIFPVBQESA-N	-1	0	273.329	2.658	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)[C@H]1CC=CCC1	ZINC000048519129	619349299	/nfs/dbraw/zinc/34/92/99/619349299.db2.gz	XHBYWHPZWUCPHS-JTQLQIEISA-N	-1	0	283.324	2.827	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Cl)n1	ZINC000048520409	619350704	/nfs/dbraw/zinc/35/07/04/619350704.db2.gz	QITWEIIHXZLHRR-QMMMGPOBSA-N	-1	0	294.767	2.637	20	30		CFEDRM
Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C2CC2)c1	ZINC000045099142	619378999	/nfs/dbraw/zinc/37/89/99/619378999.db2.gz	LVVMFHUAIUEXOO-UHFFFAOYSA-N	-1	0	290.344	2.598	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCOCc1ccccc1	ZINC000048761840	619426190	/nfs/dbraw/zinc/42/61/90/619426190.db2.gz	NGPHYRLIHWHASU-UHFFFAOYSA-N	-1	0	299.392	2.680	20	30		CFEDRM
CC[C@H](NN=C(c1ccccc1C)C1CC1)C(=O)[O-]	ZINC000793055365	619505713	/nfs/dbraw/zinc/50/57/13/619505713.db2.gz	LYAYGGKTQCMFPD-ZDUSSCGKSA-N	-1	0	260.337	2.562	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000793145989	619518912	/nfs/dbraw/zinc/51/89/12/619518912.db2.gz	NJKRKAUNMODEBU-SECBINFHSA-N	-1	0	252.270	2.697	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135722	619535683	/nfs/dbraw/zinc/53/56/83/619535683.db2.gz	HESRRRCPCHIXOY-UHFFFAOYSA-N	-1	0	279.720	2.780	20	30		CFEDRM
C=C1CCC(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])CC1	ZINC000909529671	619630261	/nfs/dbraw/zinc/63/02/61/619630261.db2.gz	PFEDHXQUEHMCCO-XJKSGUPXSA-N	-1	0	279.380	2.883	20	30		CFEDRM
CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCC1CC1	ZINC000840710279	619904853	/nfs/dbraw/zinc/90/48/53/619904853.db2.gz	IQYRDHPNEBWPRG-LZYBPNLTSA-N	-1	0	292.335	2.925	20	30		CFEDRM
COC(=O)[C@@H](F)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840710884	619919275	/nfs/dbraw/zinc/91/92/75/619919275.db2.gz	MSJOUIQSJSFDRG-ZMLVYFQNSA-N	-1	0	294.109	2.629	20	30		CFEDRM
Cc1c2cccc(C)c2oc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000121330926	619968140	/nfs/dbraw/zinc/96/81/40/619968140.db2.gz	JGDJBAWMUBWNSW-ZDUSSCGKSA-N	-1	0	296.326	2.651	20	30		CFEDRM
CCc1ccsc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000121458374	619987288	/nfs/dbraw/zinc/98/72/88/619987288.db2.gz	LHKQNYAPMJFBCA-LBPRGKRZSA-N	-1	0	290.388	2.692	20	30		CFEDRM
N#CC[C@@H](NC(=O)c1cccc(Cl)c1[O-])C(F)(F)F	ZINC000928806052	620017978	/nfs/dbraw/zinc/01/79/78/620017978.db2.gz	GTJAEEZOXBWGAS-MRVPVSSYSA-N	-1	0	292.644	2.620	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000262917677	620087556	/nfs/dbraw/zinc/08/75/56/620087556.db2.gz	NSXGJGSGZCMEPK-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000864186525	620205521	/nfs/dbraw/zinc/20/55/21/620205521.db2.gz	RFGDZNWXFIZFJQ-JTQLQIEISA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(C)[C@H](CC(=O)[N-]Oc1ccc(F)cc1)OCC	ZINC000898572695	620478534	/nfs/dbraw/zinc/47/85/34/620478534.db2.gz	BWRPSEFFDZVZED-ZDUSSCGKSA-N	-1	0	267.300	2.607	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2C[C@H]2C(F)(F)F)c1	ZINC000899225842	620535299	/nfs/dbraw/zinc/53/52/99/620535299.db2.gz	FDSMKRRQWRYIMP-ZIISIAFGSA-N	-1	0	288.225	2.918	20	30		CFEDRM
O=C([O-])c1cncc(/C=C/C(=O)C2CCCCC2)c1	ZINC000899344980	620547201	/nfs/dbraw/zinc/54/72/01/620547201.db2.gz	CDLMVRLLSFHTEH-VOTSOKGWSA-N	-1	0	259.305	2.942	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2ncnc3sc(C)c(C)c32)[n-]1	ZINC000899346134	620547279	/nfs/dbraw/zinc/54/72/79/620547279.db2.gz	COARCWQQSAPVCZ-UHFFFAOYSA-N	-1	0	298.371	2.814	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncc(Cl)cc2Cl)c1=O	ZINC000899346261	620547290	/nfs/dbraw/zinc/54/72/90/620547290.db2.gz	HTSHNGWJWWBEEG-VIFPVBQESA-N	-1	0	282.130	2.750	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2nc(C(F)(F)F)cs2)c1=O	ZINC000899352775	620548101	/nfs/dbraw/zinc/54/81/01/620548101.db2.gz	OWGSEGPAMLSXFW-ZETCQYMHSA-N	-1	0	287.266	2.524	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(OC(F)F)cc2)c1=O	ZINC000899349558	620549807	/nfs/dbraw/zinc/54/98/07/620549807.db2.gz	GBYIZVGNRHCYSX-LBPRGKRZSA-N	-1	0	278.258	2.650	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(C(=O)[O-])c(C)o1	ZINC000899349553	620549919	/nfs/dbraw/zinc/54/99/19/620549919.db2.gz	GBJDVTZRTCOONZ-AATRIKPKSA-N	-1	0	288.303	2.533	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1ccccc1[O-])CCC2	ZINC000899362309	620553281	/nfs/dbraw/zinc/55/32/81/620553281.db2.gz	PRHNOPAXWADGSC-KTKRTIGZSA-N	-1	0	268.316	2.511	20	30		CFEDRM
O=C([O-])c1coc(/C=C/C(=O)c2cnn(C3CCC3)c2)c1	ZINC000899399696	620560194	/nfs/dbraw/zinc/56/01/94/620560194.db2.gz	BOKFRVFWSPJAKN-SNAWJCMRSA-N	-1	0	286.287	2.795	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])CCCCC1	ZINC000899544810	620580323	/nfs/dbraw/zinc/58/03/23/620580323.db2.gz	SHKOEORLSDNJBB-DYVFJYSZSA-N	-1	0	291.391	2.979	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000042271616	620597931	/nfs/dbraw/zinc/59/79/31/620597931.db2.gz	FFJUTPUNUXNOOW-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899765953	620598252	/nfs/dbraw/zinc/59/82/52/620598252.db2.gz	HUCSGVOBYLKOGY-ZDUSSCGKSA-N	-1	0	288.347	2.942	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)NCC1CCC(C#N)CC1	ZINC000899782680	620598836	/nfs/dbraw/zinc/59/88/36/620598836.db2.gz	OWGHODFDSVAZHC-RUXDESIVSA-N	-1	0	294.395	2.570	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899794073	620600664	/nfs/dbraw/zinc/60/06/64/620600664.db2.gz	GXIXMAVOMYOIMN-XREXNNHRSA-N	-1	0	291.391	2.618	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899803042	620600805	/nfs/dbraw/zinc/60/08/05/620600805.db2.gz	LDIMIZXWWLWYHK-SNVBAGLBSA-N	-1	0	295.301	2.700	20	30		CFEDRM
C=C1CCC(CNC(=O)CC2(CC(=O)[O-])CCC2)CC1	ZINC000899837527	620604838	/nfs/dbraw/zinc/60/48/38/620604838.db2.gz	WVFWVDZSKDQCEA-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
CC(C)(C)CC[C@@H](NC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000901568947	620859525	/nfs/dbraw/zinc/85/95/25/620859525.db2.gz	DSMHVWPUUXHCGM-GFCCVEGCSA-N	-1	0	294.395	2.856	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000902698605	621149630	/nfs/dbraw/zinc/14/96/30/621149630.db2.gz	PARUOPXCHWVVKU-GXTWGEPZSA-N	-1	0	275.348	2.921	20	30		CFEDRM
Cc1nccn1CCCC(=O)N(O)Cc1ccc(F)cc1	ZINC000904175866	621542736	/nfs/dbraw/zinc/54/27/36/621542736.db2.gz	YCDQXNRUZPYYAP-UHFFFAOYSA-N	-1	0	291.326	2.529	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@@H](CCCC=C)C(=O)[O-])c1	ZINC000905051222	621686431	/nfs/dbraw/zinc/68/64/31/621686431.db2.gz	VHLHLRDXPFUOSP-AWEZNQCLSA-N	-1	0	286.331	2.599	20	30		CFEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)CCCCC#N	ZINC000905270023	621734826	/nfs/dbraw/zinc/73/48/26/621734826.db2.gz	VLMDBSYFMDYGID-UHFFFAOYSA-N	-1	0	260.293	2.716	20	30		CFEDRM
CC(=NN[C@H](C)CC#N)c1ccc(O)cc1Cl	ZINC000905456351	621776233	/nfs/dbraw/zinc/77/62/33/621776233.db2.gz	HDVWHFCPLOSGEC-MRVPVSSYSA-N	-1	0	251.717	2.661	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1sc(C)c(CC)c1C#N	ZINC000906071968	621925857	/nfs/dbraw/zinc/92/58/57/621925857.db2.gz	FPQIMIXANMPIEE-UHFFFAOYSA-N	-1	0	296.417	2.646	20	30		CFEDRM
C[C@H]1c2c(C#N)c([N-]S(C)(=O)=O)sc2CC[C@@H]1C	ZINC000906074612	621928841	/nfs/dbraw/zinc/92/88/41/621928841.db2.gz	IHKVEPZJLYXQGN-JGVFFNPUSA-N	-1	0	284.406	2.677	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000907550306	622136149	/nfs/dbraw/zinc/13/61/49/622136149.db2.gz	LUXFOQPIPLVCMZ-NSHDSACASA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000907578876	622138713	/nfs/dbraw/zinc/13/87/13/622138713.db2.gz	LJZVGNILWYOLCF-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000907611040	622138726	/nfs/dbraw/zinc/13/87/26/622138726.db2.gz	RPLZWUGXMWHMAM-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CC1(CC(=O)N[C@@](C)(C(=O)[O-])C2CC2)CCCCC1	ZINC000907604628	622142280	/nfs/dbraw/zinc/14/22/80/622142280.db2.gz	RJVQXYMTHYUILK-OAHLLOKOSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000907640517	622145392	/nfs/dbraw/zinc/14/53/92/622145392.db2.gz	SIZFRHCZCOYWOS-WCQYABFASA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000907642277	622145994	/nfs/dbraw/zinc/14/59/94/622145994.db2.gz	CPPNRCOAWIQFTG-JOYOIKCWSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1	ZINC000907662352	622148542	/nfs/dbraw/zinc/14/85/42/622148542.db2.gz	VXPFSCLFPIMBGX-LBPRGKRZSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000907647822	622151058	/nfs/dbraw/zinc/15/10/58/622151058.db2.gz	VRCXMIMDXWGOCH-HIFRSBDPSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CC1(CC(=O)NC[C@H](CC)C(=O)[O-])CCCCC1	ZINC000907686916	622152011	/nfs/dbraw/zinc/15/20/11/622152011.db2.gz	AQYUTZVOCSWBOU-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC1(CC(=O)NCc2nc(C(=O)[O-])co2)CCCCC1	ZINC000907692626	622152938	/nfs/dbraw/zinc/15/29/38/622152938.db2.gz	CJHPZPCIIAFCHR-UHFFFAOYSA-N	-1	0	292.335	2.516	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000907705733	622153972	/nfs/dbraw/zinc/15/39/72/622153972.db2.gz	ZSGUZTWYVPVGMA-RYUDHWBXSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000907768362	622160402	/nfs/dbraw/zinc/16/04/02/622160402.db2.gz	YBMWNKOKVJTXAC-SECBINFHSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](CCC)C(=O)[O-]	ZINC000908016154	622186273	/nfs/dbraw/zinc/18/62/73/622186273.db2.gz	URTLPJSGZNOTPT-GFCCVEGCSA-N	-1	0	293.388	2.948	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908090014	622192317	/nfs/dbraw/zinc/19/23/17/622192317.db2.gz	NTIMHHBIEHCZLX-UHFFFAOYSA-N	-1	0	288.347	2.606	20	30		CFEDRM
C=CCCCN(CC)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000908221047	622203160	/nfs/dbraw/zinc/20/31/60/622203160.db2.gz	MVSUSCVZFYFTNV-STQMWFEESA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCCN(CC)C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000908220905	622203169	/nfs/dbraw/zinc/20/31/69/622203169.db2.gz	XOXQDGUOSDOKLW-CSKARUKUSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908294473	622215012	/nfs/dbraw/zinc/21/50/12/622215012.db2.gz	XRDFOFFOTNMBKL-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc1	ZINC000073086727	625771831	/nfs/dbraw/zinc/77/18/31/625771831.db2.gz	HLNWAHKCLDCQBA-LLVKDONJSA-N	-1	0	269.366	2.932	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000908579370	622245219	/nfs/dbraw/zinc/24/52/19/622245219.db2.gz	NSFCTOKAWWKWOI-HNNXBMFYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CCN(CC=C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000908690535	622261126	/nfs/dbraw/zinc/26/11/26/622261126.db2.gz	DXPKPLNDKYNKQS-UHFFFAOYSA-N	-1	0	277.364	2.612	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909030914	622298265	/nfs/dbraw/zinc/29/82/65/622298265.db2.gz	PTCOCZGIEBZBRN-ZDUSSCGKSA-N	-1	0	294.326	2.525	20	30		CFEDRM
C=CC[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccccc1	ZINC000909147160	622321806	/nfs/dbraw/zinc/32/18/06/622321806.db2.gz	DUGSWHIXCWXAEJ-JSGCOSHPSA-N	-1	0	275.348	2.525	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909178825	622322789	/nfs/dbraw/zinc/32/27/89/622322789.db2.gz	DCNZQPDLKDPOND-WMLDXEAASA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909254002	622332852	/nfs/dbraw/zinc/33/28/52/622332852.db2.gz	XMHDAWPWHQNAQF-AWEZNQCLSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)[O-]	ZINC000909713648	622344458	/nfs/dbraw/zinc/34/44/58/622344458.db2.gz	HJRAKNHYLREWFH-WXRRBKDZSA-N	-1	0	297.395	2.506	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000909717282	622346095	/nfs/dbraw/zinc/34/60/95/622346095.db2.gz	XQRDOWQGTTXPMB-TZMCWYRMSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909824223	622353097	/nfs/dbraw/zinc/35/30/97/622353097.db2.gz	QTUAQPUXQBAZBQ-OCCSQVGLSA-N	-1	0	289.375	2.647	20	30		CFEDRM
C#CCC1(C(=O)NC[C@@H](CCC)C(=O)[O-])CCCCC1	ZINC000909814481	622355836	/nfs/dbraw/zinc/35/58/36/622355836.db2.gz	OSMZKGSHVDOYML-CYBMUJFWSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909867573	622362029	/nfs/dbraw/zinc/36/20/29/622362029.db2.gz	CNNAQFZWPYPMSX-KRWDZBQOSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000909868662	622362245	/nfs/dbraw/zinc/36/22/45/622362245.db2.gz	VDUDIJAPOPJQCF-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2ccccc2CCC(=O)[O-])C1	ZINC000909943458	622374755	/nfs/dbraw/zinc/37/47/55/622374755.db2.gz	PUNGCLWGBGHFGW-AWEZNQCLSA-N	-1	0	299.370	2.579	20	30		CFEDRM
C#CCC1(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])CCCCC1	ZINC000909996339	622384347	/nfs/dbraw/zinc/38/43/47/622384347.db2.gz	QEEUFQDTKSCXDD-CZUORRHYSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910054033	622392580	/nfs/dbraw/zinc/39/25/80/622392580.db2.gz	HRZJLKNINQYJCI-JYJNAYRXSA-N	-1	0	299.370	2.506	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153808	622407425	/nfs/dbraw/zinc/40/74/25/622407425.db2.gz	VQWMEEDPTJOGJH-OQPBUACISA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910161531	622407696	/nfs/dbraw/zinc/40/76/96/622407696.db2.gz	VISJAKXNFMAMCB-MRVPVSSYSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000910251472	622419588	/nfs/dbraw/zinc/41/95/88/622419588.db2.gz	UHXHMLWLTYWRQB-BFHYXJOUSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C(C)=C1CCCC1)C(=O)[O-]	ZINC000910264747	622420370	/nfs/dbraw/zinc/42/03/70/622420370.db2.gz	CUNWCRCVWXWBJV-NSHDSACASA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1=CCCCCC1)C(=O)[O-]	ZINC000910265678	622421315	/nfs/dbraw/zinc/42/13/15/622421315.db2.gz	IXKZWFJNCMPVLU-LLVKDONJSA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000910268384	622421541	/nfs/dbraw/zinc/42/15/41/622421541.db2.gz	YDSCCYJWWYPEGR-QROSGCPLSA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)C(=O)[O-]	ZINC000910268495	622421619	/nfs/dbraw/zinc/42/16/19/622421619.db2.gz	YRHBTDLMABBEHW-VHSXEESVSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910269739	622422140	/nfs/dbraw/zinc/42/21/40/622422140.db2.gz	DNAUKDWEJKLMIX-MNOVXSKESA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910302765	622428196	/nfs/dbraw/zinc/42/81/96/622428196.db2.gz	QWKMWSDOXGSKEJ-UHFFFAOYSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910294988	622430602	/nfs/dbraw/zinc/43/06/02/622430602.db2.gz	SRBOKEJSKTYHBP-STQMWFEESA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910296074	622431304	/nfs/dbraw/zinc/43/13/04/622431304.db2.gz	ZYIQDMQJDCKSKZ-GXTWGEPZSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000910358303	622434827	/nfs/dbraw/zinc/43/48/27/622434827.db2.gz	QAJJIIMSJJGSPI-UHFFFAOYSA-N	-1	0	276.292	2.758	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000910383005	622439393	/nfs/dbraw/zinc/43/93/93/622439393.db2.gz	UJEBABJERKENDU-CABCVRRESA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCC1(C(=O)Nc2nc(C(=O)[O-])c(C)s2)CCC1	ZINC000910779735	622477016	/nfs/dbraw/zinc/47/70/16/622477016.db2.gz	JEXFIQTYIDRNMX-UHFFFAOYSA-N	-1	0	280.349	2.835	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910904929	622484061	/nfs/dbraw/zinc/48/40/61/622484061.db2.gz	JZQOBVDPPACECW-CYBMUJFWSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910909678	622485113	/nfs/dbraw/zinc/48/51/13/622485113.db2.gz	ADHWVRNDJXUXAW-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000910913860	622486352	/nfs/dbraw/zinc/48/63/52/622486352.db2.gz	DXBQFBDKOYGPAB-ZDUSSCGKSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cnc(CCC)s1)C(=O)[O-]	ZINC000910914692	622486370	/nfs/dbraw/zinc/48/63/70/622486370.db2.gz	MWXLMIHSDKGLMD-SNVBAGLBSA-N	-1	0	296.392	2.635	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000910913913	622486393	/nfs/dbraw/zinc/48/63/93/622486393.db2.gz	FYERTQJBZNKZNZ-LSDHHAIUSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-]	ZINC000910914643	622486409	/nfs/dbraw/zinc/48/64/09/622486409.db2.gz	MFVBCOUYWUJGNQ-USKTWTLRSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@](C)(C=C)CC)C(=O)[O-]	ZINC000910917488	622486653	/nfs/dbraw/zinc/48/66/53/622486653.db2.gz	RFYJMMGHJIKMIE-FZMZJTMJSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(OC)cc1Cl)C(=O)[O-]	ZINC000819814204	622562663	/nfs/dbraw/zinc/56/26/63/622562663.db2.gz	YRNJQZRQVDJXSF-GFCCVEGCSA-N	-1	0	284.743	2.525	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000151212768	622864116	/nfs/dbraw/zinc/86/41/16/622864116.db2.gz	DTHJMLWKLUATSC-UHFFFAOYSA-N	-1	0	275.414	2.736	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2cc(C)ccc2O)cn1	ZINC000156697771	622957070	/nfs/dbraw/zinc/95/70/70/622957070.db2.gz	UQIKOPANJWNWJA-FNORWQNLSA-N	-1	0	256.305	2.813	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2cc(C)ccc2O)c[nH]1	ZINC000156699689	622957234	/nfs/dbraw/zinc/95/72/34/622957234.db2.gz	VBWLYMMQJQMAAF-GQCTYLIASA-N	-1	0	285.299	2.711	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1	ZINC000046927909	623104798	/nfs/dbraw/zinc/10/47/98/623104798.db2.gz	QSGKMWPFMHXSSH-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(/C)c1ccccc1)C(=O)[O-]	ZINC000823369131	623299912	/nfs/dbraw/zinc/29/99/12/623299912.db2.gz	WUZIYNCDLUJKRX-NYHXXUGCSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(/C)c1ccc(F)cc1)C(=O)[O-]	ZINC000823368955	623300052	/nfs/dbraw/zinc/30/00/52/623300052.db2.gz	GTIGHXAQHQFLPA-BMSUMIBZSA-N	-1	0	291.322	2.765	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(F)c1	ZINC000076910494	623347661	/nfs/dbraw/zinc/34/76/61/623347661.db2.gz	IMVSVLODFIYUPR-JTQLQIEISA-N	-1	0	287.356	2.872	20	30		CFEDRM
COC(C)(C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000173987669	623379016	/nfs/dbraw/zinc/37/90/16/623379016.db2.gz	MVXHHFABVKUQSA-MKMNVTDBSA-N	-1	0	286.715	2.798	20	30		CFEDRM
CCOCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814907523	623495505	/nfs/dbraw/zinc/49/55/05/623495505.db2.gz	NESHIWFZTZNDCL-QWRGUYRKSA-N	-1	0	271.357	2.552	20	30		CFEDRM
CC[C@](C)(C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000824990359	623602423	/nfs/dbraw/zinc/60/24/23/623602423.db2.gz	HGWWWNQFBSFJCF-CYBMUJFWSA-N	-1	0	275.333	2.539	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](OCC1CCCC1)c1ccccc1	ZINC000825136974	623638066	/nfs/dbraw/zinc/63/80/66/623638066.db2.gz	IJCPAXOWGIEQRM-INIZCTEOSA-N	-1	0	287.359	2.616	20	30		CFEDRM
C=CCC1(C(=O)[N-]O[C@@H]2CCCCO2)CCCC1	ZINC000825553853	623714328	/nfs/dbraw/zinc/71/43/28/623714328.db2.gz	CNGWCPSPWIZMEA-GFCCVEGCSA-N	-1	0	253.342	2.697	20	30		CFEDRM
CC[C@H](C)NN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814913277	623915377	/nfs/dbraw/zinc/91/53/77/623915377.db2.gz	KKFZQUHDWQTNCP-WCQGTBRESA-N	-1	0	254.374	2.887	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cccnc2)cc1CC(=O)[O-]	ZINC000072573625	625685244	/nfs/dbraw/zinc/68/52/44/625685244.db2.gz	UWWUYDDPPHMWGC-GQCTYLIASA-N	-1	0	297.310	2.613	20	30		CFEDRM
CO[C@](C)(CN=Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000835008790	623931447	/nfs/dbraw/zinc/93/14/47/623931447.db2.gz	JAFIMYXGAUGHOW-CQSZACIVSA-N	-1	0	280.299	2.737	20	30		CFEDRM
CCC(=NOC[C@@H]1CCOC1)c1ccc(O)c(F)c1	ZINC000788034038	623972030	/nfs/dbraw/zinc/97/20/30/623972030.db2.gz	NKPGTVQYXJYHEV-SNVBAGLBSA-N	-1	0	267.300	2.699	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC[C@@H](C)c1ccccc1	ZINC000828158089	624189339	/nfs/dbraw/zinc/18/93/39/624189339.db2.gz	CMRIHPSLTJAFCO-CYBMUJFWSA-N	-1	0	275.348	2.670	20	30		CFEDRM
O=C([O-])CCOc1ccc(/C=C/C(=O)c2cccnc2)cc1	ZINC000915981530	624201462	/nfs/dbraw/zinc/20/14/62/624201462.db2.gz	ROQUOKXLBLXQQP-VMPITWQZSA-N	-1	0	297.310	2.831	20	30		CFEDRM
N#Cc1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000915962743	624202370	/nfs/dbraw/zinc/20/23/70/624202370.db2.gz	VKAGNJDUBVJMNZ-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915987466	624204958	/nfs/dbraw/zinc/20/49/58/624204958.db2.gz	DXTNTEAFXCQPFZ-FPLPWBNLSA-N	-1	0	285.299	2.815	20	30		CFEDRM
CCCCCC1=C(N=Nc2nnc(C)c(=O)[n-]2)CCC1	ZINC000916583758	624259689	/nfs/dbraw/zinc/25/96/89/624259689.db2.gz	OGLZJYWEQNNLCD-UHFFFAOYSA-N	-1	0	275.356	2.954	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc3c(c2)CCO3)cc1	ZINC000917528558	624354986	/nfs/dbraw/zinc/35/49/86/624354986.db2.gz	BBXPAIRFCNQOGC-UHFFFAOYSA-N	-1	0	282.299	2.766	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C=NNc1[n-]cnc2ncnc1-2	ZINC000917554436	624358845	/nfs/dbraw/zinc/35/88/45/624358845.db2.gz	FGYTUKHZSHFJFL-UHFFFAOYSA-N	-1	0	291.318	2.589	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000829736001	624517072	/nfs/dbraw/zinc/51/70/72/624517072.db2.gz	LENRLCXDXYDLSP-LLVKDONJSA-N	-1	0	289.360	2.785	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830327029	624710469	/nfs/dbraw/zinc/71/04/69/624710469.db2.gz	AGPZILUVXCQMLD-UHFFFAOYSA-N	-1	0	277.295	2.722	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cscc1C	ZINC000175096120	624926158	/nfs/dbraw/zinc/92/61/58/624926158.db2.gz	WTCSCDNBMWVQCJ-LLVKDONJSA-N	-1	0	278.377	2.685	20	30		CFEDRM
C=C1CCC(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000830991053	624948764	/nfs/dbraw/zinc/94/87/64/624948764.db2.gz	QNWFUUDTZSSNHL-UHFFFAOYSA-N	-1	0	290.319	2.777	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000069534685	625144765	/nfs/dbraw/zinc/14/47/65/625144765.db2.gz	BJKIUXPFUMJUTM-UHFFFAOYSA-N	-1	0	287.406	2.702	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000851609283	634454988	/nfs/dbraw/zinc/45/49/88/634454988.db2.gz	RWCYXKNGXSVEAL-CSKARUKUSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1	ZINC000851615608	634456677	/nfs/dbraw/zinc/45/66/77/634456677.db2.gz	DUCYKJKLCZFJRS-YPUOHESYSA-N	-1	0	289.331	2.806	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C2\Oc3ccccc3C2=O)c1	ZINC000195778501	625806439	/nfs/dbraw/zinc/80/64/39/625806439.db2.gz	WQCQIZYGGMHWOQ-DHDCSXOGSA-N	-1	0	296.278	2.766	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000851605364	634454257	/nfs/dbraw/zinc/45/42/57/634454257.db2.gz	HICQUAIZHIENRL-UQSGXBNBSA-N	-1	0	277.320	2.852	20	30		CFEDRM
CC(=NOC(C)C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000834999943	625949759	/nfs/dbraw/zinc/94/97/59/625949759.db2.gz	GDUBXNGRVVBMFT-NSHDSACASA-N	-1	0	265.309	2.688	20	30		CFEDRM
CC(C)O[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C1(C)C	ZINC000835006290	625954595	/nfs/dbraw/zinc/95/45/95/625954595.db2.gz	CJOOAHYGRWXSEJ-CYBMUJFWSA-N	-1	0	291.351	2.771	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)O1	ZINC000835008111	625955235	/nfs/dbraw/zinc/95/52/35/625955235.db2.gz	FPDDKMZIGXOUGW-DTORHVGOSA-N	-1	0	280.299	2.879	20	30		CFEDRM
CO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008124	625955343	/nfs/dbraw/zinc/95/53/43/625955343.db2.gz	FVVCZGQZGNWVDC-NSHDSACASA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010035	625956907	/nfs/dbraw/zinc/95/69/07/625956907.db2.gz	LZNXFRIYBYLIOK-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
COC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC000835009673	625957076	/nfs/dbraw/zinc/95/70/76/625957076.db2.gz	YAZFRRYGAPDNNV-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012120	625958527	/nfs/dbraw/zinc/95/85/27/625958527.db2.gz	NKLWWFNSUYEBQF-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(=NN[C@@H]1CCOC1(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000835020707	625966046	/nfs/dbraw/zinc/96/60/46/625966046.db2.gz	JVKNCKLHCXPTDE-DGCLKSJQSA-N	-1	0	284.400	2.801	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C	ZINC000073838260	626396150	/nfs/dbraw/zinc/39/61/50/626396150.db2.gz	XPUROXSYIQSSRF-LLVKDONJSA-N	-1	0	293.429	2.913	20	30		CFEDRM
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCC1CCCCC1	ZINC000073839093	626396153	/nfs/dbraw/zinc/39/61/53/626396153.db2.gz	OLLVYYZBRVVTCN-LLVKDONJSA-N	-1	0	291.413	2.668	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000788082329	626420258	/nfs/dbraw/zinc/42/02/58/626420258.db2.gz	XKSPTLSJYDWXHP-WYGGZMRJSA-N	-1	0	257.318	2.669	20	30		CFEDRM
CC(=O)NCCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000074114057	626427329	/nfs/dbraw/zinc/42/73/29/626427329.db2.gz	BYCQMQUNSINPFR-VIZOYTHASA-N	-1	0	289.162	2.644	20	30		CFEDRM
N#CC1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCCCC1	ZINC000923074048	626448915	/nfs/dbraw/zinc/44/89/15/626448915.db2.gz	ZCEIHSINNDDKCY-UHFFFAOYSA-N	-1	0	292.379	2.612	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(CCCC)CC1)C(=O)[O-]	ZINC000923103444	626450583	/nfs/dbraw/zinc/45/05/83/626450583.db2.gz	HBHFKPANITYAHF-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000923104208	626451394	/nfs/dbraw/zinc/45/13/94/626451394.db2.gz	TUKDRZCJIUSITA-ZBEGNZNMSA-N	-1	0	286.331	2.531	20	30		CFEDRM
Cc1nn(C)cc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000121331830	626491859	/nfs/dbraw/zinc/49/18/59/626491859.db2.gz	PBSFULYURNMNEY-FNORWQNLSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CCO[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCC1	ZINC000867013249	626538001	/nfs/dbraw/zinc/53/80/01/626538001.db2.gz	OZQFLNGSAUJZFZ-HNNXBMFYSA-N	-1	0	288.347	2.798	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnn2CC2CCC2)c1	ZINC000867012957	626538016	/nfs/dbraw/zinc/53/80/16/626538016.db2.gz	KNCQUTSYAYDBCS-UHFFFAOYSA-N	-1	0	296.330	2.513	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOCC(F)F)c2ccccc21	ZINC000789051837	626539015	/nfs/dbraw/zinc/53/90/15/626539015.db2.gz	XXNYSKQTLCFZFY-JTQLQIEISA-N	-1	0	269.247	2.634	20	30		CFEDRM
CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000756961807	626542819	/nfs/dbraw/zinc/54/28/19/626542819.db2.gz	KSZCVLGSSUAJHW-QMMMGPOBSA-N	-1	0	288.244	2.865	20	30		CFEDRM
C#CCNC(=S)[N-]c1cc(Cl)ccc1SC	ZINC000758207087	626582252	/nfs/dbraw/zinc/58/22/52/626582252.db2.gz	AGGZHDCURWWQFW-UHFFFAOYSA-N	-1	0	270.810	2.982	20	30		CFEDRM
O=C(/C=C/c1cncs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759089089	626627485	/nfs/dbraw/zinc/62/74/85/626627485.db2.gz	FWCGFEWFFBHCPF-DUXPYHPUSA-N	-1	0	276.273	2.653	20	30		CFEDRM
Cc1noc(C(C)C)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713027	626686157	/nfs/dbraw/zinc/68/61/57/626686157.db2.gz	DFZNYFQSTKQQQF-UHFFFAOYSA-N	-1	0	285.303	2.936	20	30		CFEDRM
CO[C@@](C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000759713870	626686615	/nfs/dbraw/zinc/68/66/15/626686615.db2.gz	SPGBRETWTPCZND-QGZVFWFLSA-N	-1	0	296.326	2.764	20	30		CFEDRM
Cc1nnc(N=NCCCC2CCCCC2)[n-]c1=O	ZINC000761748238	626856644	/nfs/dbraw/zinc/85/66/44/626856644.db2.gz	CBJBWAZEVJXGSJ-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
CC#CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805241849	626906619	/nfs/dbraw/zinc/90/66/19/626906619.db2.gz	DTTXGKSBAXVNTH-UHFFFAOYSA-N	-1	0	287.146	2.522	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cn1	ZINC000805255135	626930426	/nfs/dbraw/zinc/93/04/26/626930426.db2.gz	LVECAVXLDHTUIG-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
C=CCCC(=O)COC(=O)c1ccc([O-])c(Cl)c1	ZINC000762829168	626942178	/nfs/dbraw/zinc/94/21/78/626942178.db2.gz	IKUYXTMMGSMHOW-UHFFFAOYSA-N	-1	0	268.696	2.738	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@H]2c2ccccc2)nc1	ZINC000763369210	626983530	/nfs/dbraw/zinc/98/35/30/626983530.db2.gz	SXWNMQRQTJNJHE-KBPBESRZSA-N	-1	0	281.315	2.981	20	30		CFEDRM
Cc1ccsc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763369363	626983636	/nfs/dbraw/zinc/98/36/36/626983636.db2.gz	HAPJLHIHPZJUPL-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
COc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CC2	ZINC000763369853	626983684	/nfs/dbraw/zinc/98/36/84/626983684.db2.gz	KSUGYCCIDQGRGQ-UHFFFAOYSA-N	-1	0	297.314	2.551	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3cc(O)ccc32)nc1	ZINC000763369024	626983741	/nfs/dbraw/zinc/98/37/41/626983741.db2.gz	DZSKGTICLDNXQW-UHFFFAOYSA-N	-1	0	297.314	2.638	20	30		CFEDRM
Cc1cc(F)ccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763372067	626983768	/nfs/dbraw/zinc/98/37/68/626983768.db2.gz	QEDGUFXMISVQGC-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c[nH]c3ccccc23)nc1	ZINC000763372421	626984333	/nfs/dbraw/zinc/98/43/33/626984333.db2.gz	XXEFICBNAQAROK-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C([O-])c1cc(N=NCC[C@@H]2CCOC2)ccc1Cl	ZINC000765547468	627146782	/nfs/dbraw/zinc/14/67/82/627146782.db2.gz	ATYPODOSJMCXSQ-SECBINFHSA-N	-1	0	282.727	2.863	20	30		CFEDRM
C#C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805308757	627151043	/nfs/dbraw/zinc/15/10/43/627151043.db2.gz	JMIYZKCRGWYZGG-ZETCQYMHSA-N	-1	0	287.146	2.520	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccnn1C	ZINC000765991865	627169625	/nfs/dbraw/zinc/16/96/25/627169625.db2.gz	DQPQNFYLLFDQPX-UHFFFAOYSA-N	-1	0	292.726	2.608	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cncs2)cs1	ZINC000767729797	627280767	/nfs/dbraw/zinc/28/07/67/627280767.db2.gz	SHVFNXUXFMWDSM-UPHRSURJSA-N	-1	0	265.315	2.799	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc3nccn32)s1	ZINC000769606194	627460750	/nfs/dbraw/zinc/46/07/50/627460750.db2.gz	BXFRCWWQQXPALM-SNAWJCMRSA-N	-1	0	298.323	2.990	20	30		CFEDRM
Cn1ncc2c1nc(N=NC1CCCCCCC1)[n-]c2=O	ZINC000769809652	627477067	/nfs/dbraw/zinc/47/70/67/627477067.db2.gz	YOVOOMVVSZKZCG-UHFFFAOYSA-N	-1	0	288.355	2.581	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000770573586	627530767	/nfs/dbraw/zinc/53/07/67/627530767.db2.gz	QRHZOVWCSGYDIO-PLNGDYQASA-N	-1	0	290.344	2.638	20	30		CFEDRM
CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(C(=O)[O-])o1	ZINC000772989797	627765490	/nfs/dbraw/zinc/76/54/90/627765490.db2.gz	HTNCVYAAIUFDBG-UHFFFAOYSA-N	-1	0	289.247	2.722	20	30		CFEDRM
CC(=NNCCCc1ccccc1)c1ccc(C(=O)[O-])o1	ZINC000773053031	627774979	/nfs/dbraw/zinc/77/49/79/627774979.db2.gz	AJGKWJCRTANDIK-UHFFFAOYSA-N	-1	0	286.331	2.924	20	30		CFEDRM
N#Cc1ccnc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000774070162	627884115	/nfs/dbraw/zinc/88/41/15/627884115.db2.gz	ZLRJRAMITOZNEE-UHFFFAOYSA-N	-1	0	296.311	2.635	20	30		CFEDRM
COc1cc(C=NOC2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000774596460	627940727	/nfs/dbraw/zinc/94/07/27/627940727.db2.gz	FNVPZYHKBQHQAR-UHFFFAOYSA-N	-1	0	280.280	2.602	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NOC1CCCC1	ZINC000774603449	627941036	/nfs/dbraw/zinc/94/10/36/627941036.db2.gz	UAQOXBOULIMLGJ-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
N#Cc1ccc(CSCC(=O)[N-]OC2CCCC2)cc1	ZINC000774873892	627975936	/nfs/dbraw/zinc/97/59/36/627975936.db2.gz	GDJIBWCZSBZFKG-UHFFFAOYSA-N	-1	0	290.388	2.782	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cscn1	ZINC000776192366	628114489	/nfs/dbraw/zinc/11/44/89/628114489.db2.gz	PMSLDVDOMLICND-RQOWECAXSA-N	-1	0	276.273	2.653	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C/C(=O)c2cscn2)cc1	ZINC000776193882	628115020	/nfs/dbraw/zinc/11/50/20/628115020.db2.gz	VXQLKRGIGVCROU-ZZXKWVIFSA-N	-1	0	289.312	2.503	20	30		CFEDRM
CCCCC[C@@H](NC(=O)c1ccc(CC#N)cc1)C(=O)[O-]	ZINC000776664602	628167082	/nfs/dbraw/zinc/16/70/82/628167082.db2.gz	OKNSVDRUQSEVFQ-CQSZACIVSA-N	-1	0	288.347	2.516	20	30		CFEDRM
CC(=NOCc1cccnc1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776778072	628177580	/nfs/dbraw/zinc/17/75/80/628177580.db2.gz	ZOPHIBFPOVVYHW-UHFFFAOYSA-N	-1	0	288.278	2.860	20	30		CFEDRM
O=c1ccccn1N=Cc1cc(Cl)c([O-])cc1Cl	ZINC000776787462	628178308	/nfs/dbraw/zinc/17/83/08/628178308.db2.gz	VLJYIKSOGNOFOW-UHFFFAOYSA-N	-1	0	283.114	2.743	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NOC1CCCCC1	ZINC000777456556	628227763	/nfs/dbraw/zinc/22/77/63/628227763.db2.gz	CCSJCJZKCHZIEE-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)c2ncc(C)cc2[O-])c1	ZINC000778706758	628326286	/nfs/dbraw/zinc/32/62/86/628326286.db2.gz	FHKYZBUYIAOSPQ-UHFFFAOYSA-N	-1	0	280.327	2.744	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000778813445	628333411	/nfs/dbraw/zinc/33/34/11/628333411.db2.gz	AQYQMIYGJRUSTQ-ZDUSSCGKSA-N	-1	0	295.404	2.543	20	30		CFEDRM
CC[C@@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000779754460	628400195	/nfs/dbraw/zinc/40/01/95/628400195.db2.gz	UIYYOJCHCBHDKZ-BXUZGUMPSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC(N=Nc1ncncc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000780283141	628450472	/nfs/dbraw/zinc/45/04/72/628450472.db2.gz	VUPKEVMZASBQCS-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
O=C([O-])c1ccc(C=NO[C@H]2CCCCO2)c(Cl)c1	ZINC000783862188	628750704	/nfs/dbraw/zinc/75/07/04/628750704.db2.gz	JJSVDLLLCSEHIZ-LBPRGKRZSA-N	-1	0	283.711	2.915	20	30		CFEDRM
Cc1ccc(/C=C\S(=O)(=O)[N-]c2ncccc2C#N)cc1	ZINC000785553682	628893445	/nfs/dbraw/zinc/89/34/45/628893445.db2.gz	HLLRPZGBCPHXSC-NTMALXAHSA-N	-1	0	299.355	2.674	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NNC3CCCCC3)[nH]nc2c1	ZINC000786043788	628933110	/nfs/dbraw/zinc/93/31/10/628933110.db2.gz	XXNUWEFYTKDKLC-UHFFFAOYSA-N	-1	0	286.335	2.517	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccs2)c1	ZINC000786550161	628968241	/nfs/dbraw/zinc/96/82/41/628968241.db2.gz	NIRQYUJMKFAVQO-ZDUSSCGKSA-N	-1	0	298.367	2.695	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786775960	628979020	/nfs/dbraw/zinc/97/90/20/628979020.db2.gz	DTQUEBKJYJNUTK-ZJUUUORDSA-N	-1	0	295.301	2.587	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000787071881	628991404	/nfs/dbraw/zinc/99/14/04/628991404.db2.gz	GAKVNHAGFKXILE-HNNXBMFYSA-N	-1	0	296.326	2.569	20	30		CFEDRM
Cc1ccc2nc(CN=Nc3ccccc3C(=O)[O-])cn2c1	ZINC000788981112	629113496	/nfs/dbraw/zinc/11/34/96/629113496.db2.gz	POOXIYCHFOVLDY-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ncc[nH]1	ZINC000790141315	629212887	/nfs/dbraw/zinc/21/28/87/629212887.db2.gz	DNBWQZYTFIUWCG-UHFFFAOYSA-N	-1	0	278.699	2.597	20	30		CFEDRM
CC(=NNc1ncccc1C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000790191377	629218270	/nfs/dbraw/zinc/21/82/70/629218270.db2.gz	UCCVUOOTGHMCOM-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000791742866	629351439	/nfs/dbraw/zinc/35/14/39/629351439.db2.gz	MEIIWFAGGNOHKE-SECBINFHSA-N	-1	0	251.713	2.577	20	30		CFEDRM
CCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000835064733	629367012	/nfs/dbraw/zinc/36/70/12/629367012.db2.gz	KEVXMSHSJBBJLN-ZDUSSCGKSA-N	-1	0	298.342	2.842	20	30		CFEDRM
Cc1nc2c(cccc2C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000792275141	629416212	/nfs/dbraw/zinc/41/62/12/629416212.db2.gz	DAWZCZYNTAHFET-UHFFFAOYSA-N	-1	0	293.282	2.966	20	30		CFEDRM
CC[C@@H](NN=Cc1cnc(C2CCCC2)s1)C(=O)[O-]	ZINC000793056915	629480730	/nfs/dbraw/zinc/48/07/30/629480730.db2.gz	YLFQLCRMLYREQO-LLVKDONJSA-N	-1	0	281.381	2.587	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H]1Cc1ccccc1)C(=O)[O-]	ZINC000793057845	629481462	/nfs/dbraw/zinc/48/14/62/629481462.db2.gz	PWIWZKYREKPQBL-ZIAGYGMSSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CC[C@H](NN=Cc1ccc2cc(OC)ccc2c1)C(=O)[O-]	ZINC000793057554	629481551	/nfs/dbraw/zinc/48/15/51/629481551.db2.gz	OGDRWCJYHPNVMK-HNNXBMFYSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](c2ccccc2)[C@H]1C)C(=O)[O-]	ZINC000793070484	629482209	/nfs/dbraw/zinc/48/22/09/629482209.db2.gz	BKQNRKHWSKCFNF-WXHSDQCUSA-N	-1	0	260.337	2.619	20	30		CFEDRM
CCC(=NNC1CC[C@@H](C(C)C)[C@@H](C)C1)C(=O)[O-]	ZINC000793072839	629483023	/nfs/dbraw/zinc/48/30/23/629483023.db2.gz	WQWMTTVZWNHVFO-DRZSPHRISA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(OC(C)C)cc1)C(=O)[O-]	ZINC000793077773	629484622	/nfs/dbraw/zinc/48/46/22/629484622.db2.gz	IFLLTWVWBRWPCZ-AWEZNQCLSA-N	-1	0	278.352	2.651	20	30		CFEDRM
CC[C@H](NN=C(C)CCc1ccc(F)cc1)C(=O)[O-]	ZINC000793080505	629485044	/nfs/dbraw/zinc/48/50/44/629485044.db2.gz	AZVADWZGSYLFQA-ZDUSSCGKSA-N	-1	0	266.316	2.587	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccccc1OCC(=O)[O-]	ZINC000793163224	629496011	/nfs/dbraw/zinc/49/60/11/629496011.db2.gz	HMENPYRNGVUIPT-NSHDSACASA-N	-1	0	265.309	2.547	20	30		CFEDRM
Cc1cnn(C)c1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000794698675	629676767	/nfs/dbraw/zinc/67/67/67/629676767.db2.gz	AYBFALGPXCGVQU-ONEGZZNKSA-N	-1	0	278.258	2.608	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)c(F)c2)n1	ZINC000794857343	629696051	/nfs/dbraw/zinc/69/60/51/629696051.db2.gz	SUSDUJWRBXYEGD-BASDRIDLSA-N	-1	0	290.273	2.880	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CCCSC1	ZINC000794921781	629704917	/nfs/dbraw/zinc/70/49/17/629704917.db2.gz	FIHQGZAZQUNCDO-SNVBAGLBSA-N	-1	0	294.376	2.934	20	30		CFEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000794941762	629707525	/nfs/dbraw/zinc/70/75/25/629707525.db2.gz	XJARONLFWNNEPW-ZZXKWVIFSA-N	-1	0	272.304	2.771	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1cccc(C(=O)[O-])c1	ZINC000795006864	629722996	/nfs/dbraw/zinc/72/29/96/629722996.db2.gz	NYFVGPRZSZBSNV-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H]2CCC)CC1	ZINC000835450322	629733894	/nfs/dbraw/zinc/73/38/94/629733894.db2.gz	ZNRALEUAPPUVMD-OLZOCXBDSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000796693279	629951134	/nfs/dbraw/zinc/95/11/34/629951134.db2.gz	OFQXLIVGYXCKFC-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
CCc1ccc2occ(C([O-])=C(C#N)C(=O)NC3CC3)c2c1	ZINC000796794858	629968492	/nfs/dbraw/zinc/96/84/92/629968492.db2.gz	XFHOHIYLQDLENJ-CYBMUJFWSA-N	-1	0	296.326	2.596	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000796942570	629992968	/nfs/dbraw/zinc/99/29/68/629992968.db2.gz	MBPHVUPUHXHDQG-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000797119539	630021847	/nfs/dbraw/zinc/02/18/47/630021847.db2.gz	VXEYFGJOXWPEOS-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000835947466	630169896	/nfs/dbraw/zinc/16/98/96/630169896.db2.gz	HLOMJUSOPOZYEB-GFCCVEGCSA-N	-1	0	287.425	2.615	20	30		CFEDRM
COCC[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000799865083	630349435	/nfs/dbraw/zinc/34/94/35/630349435.db2.gz	VYLGWXHORZMCRU-LLVKDONJSA-N	-1	0	276.336	2.989	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC1CCC12CCOCC2	ZINC000799872983	630350165	/nfs/dbraw/zinc/35/01/65/630350165.db2.gz	HVKPRWAZQUGESC-UHFFFAOYSA-N	-1	0	274.320	2.743	20	30		CFEDRM
Cc1[nH]c(CN=Nc2c(F)cccc2F)cc1C(=O)[O-]	ZINC000800812492	630407108	/nfs/dbraw/zinc/40/71/08/630407108.db2.gz	FRGWDVNFJNTSNJ-UHFFFAOYSA-N	-1	0	279.246	2.746	20	30		CFEDRM
Cc1[nH]c(C=NN[C@H]2CCCC2(C)C)cc1C(=O)[O-]	ZINC000800817892	630408194	/nfs/dbraw/zinc/40/81/94/630408194.db2.gz	YIBUZQJQGDQDAH-LBPRGKRZSA-N	-1	0	263.341	2.524	20	30		CFEDRM
Cc1[nH]c(C=NNc2c(C)cccc2F)cc1C(=O)[O-]	ZINC000800816074	630408381	/nfs/dbraw/zinc/40/83/81/630408381.db2.gz	YZSFOAYBHCKKNQ-UHFFFAOYSA-N	-1	0	275.283	2.915	20	30		CFEDRM
CC(C)C(Cn1cccn1)N=Nc1cccc(C(=O)[O-])c1	ZINC000802704024	630538909	/nfs/dbraw/zinc/53/89/09/630538909.db2.gz	MYRKZFCWGDTXAW-UHFFFAOYSA-N	-1	0	286.335	2.705	20	30		CFEDRM
C=CCCCCCCNC(=O)C[C@]1(C(=O)[O-])CCSC1	ZINC000804599862	630762680	/nfs/dbraw/zinc/76/26/80/630762680.db2.gz	RSWMERDIHGDKIR-OAHLLOKOSA-N	-1	0	299.436	2.837	20	30		CFEDRM
N#CCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000806990769	630852265	/nfs/dbraw/zinc/85/22/65/630852265.db2.gz	PFPJKAVUISJDRH-UHFFFAOYSA-N	-1	0	257.293	2.676	20	30		CFEDRM
C#CCN(C(=O)c1cccc(CC(=O)[O-])c1)C1CCCCC1	ZINC000836742914	630874769	/nfs/dbraw/zinc/87/47/69/630874769.db2.gz	RYOUDPKZRCRBPH-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)c1cn2c(n1)CCCC2	ZINC000807940392	630924418	/nfs/dbraw/zinc/92/44/18/630924418.db2.gz	VKOYLYBGKFIJNR-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(Br)cc1	ZINC000837043667	630942559	/nfs/dbraw/zinc/94/25/59/630942559.db2.gz	FAZQTQIOVHVYKA-UHFFFAOYSA-N	-1	0	298.180	2.961	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000837043167	630943331	/nfs/dbraw/zinc/94/33/31/630943331.db2.gz	MLMVUNOHCUOFFJ-UHFFFAOYSA-N	-1	0	251.713	2.605	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](c1ccc(F)cc1)C(C)C	ZINC000837045824	630944153	/nfs/dbraw/zinc/94/41/53/630944153.db2.gz	BGEQUMCJDNIOCF-CYBMUJFWSA-N	-1	0	251.301	2.799	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(OC)cc2)CCCC1	ZINC000837045932	630944292	/nfs/dbraw/zinc/94/42/92/630944292.db2.gz	BODSGAIJFIDBCT-UHFFFAOYSA-N	-1	0	275.348	2.741	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H]1CCc2c1cccc2Cl	ZINC000837046107	630944343	/nfs/dbraw/zinc/94/43/43/630944343.db2.gz	DHPPCRHSNRSMJH-LLVKDONJSA-N	-1	0	251.713	2.604	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000837266309	630989011	/nfs/dbraw/zinc/98/90/11/630989011.db2.gz	MZGAWCCVHNBUFI-UHFFFAOYSA-N	-1	0	253.248	2.803	20	30		CFEDRM
N#CC1(COC(=O)c2c(F)cc([O-])cc2F)CCC1	ZINC000837534331	631058618	/nfs/dbraw/zinc/05/86/18/631058618.db2.gz	QBOHNNDRCIFSEC-UHFFFAOYSA-N	-1	0	267.231	2.521	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000809158419	631091720	/nfs/dbraw/zinc/09/17/20/631091720.db2.gz	YIURCSFIKHJSAI-DUXPYHPUSA-N	-1	0	283.283	2.690	20	30		CFEDRM
CC(C)(C)C#CC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000837699334	631111383	/nfs/dbraw/zinc/11/13/83/631111383.db2.gz	ZFCZHMJGCJGKMF-UHFFFAOYSA-N	-1	0	253.248	2.658	20	30		CFEDRM
N#CC1(COC(=O)c2cc([S-])ccc2F)CCC1	ZINC000837699317	631111553	/nfs/dbraw/zinc/11/15/53/631111553.db2.gz	DRWQCBUBANCVEI-UHFFFAOYSA-N	-1	0	265.309	2.965	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000042314042	649997510	/nfs/dbraw/zinc/99/75/10/649997510.db2.gz	JGSILFNTNVDDNN-UHFFFAOYSA-N	-1	0	253.323	2.606	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1ccsc1	ZINC000042243371	649996519	/nfs/dbraw/zinc/99/65/19/649996519.db2.gz	XNZUZASUMJDXDD-UHFFFAOYSA-N	-1	0	273.360	2.503	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)CC1CCCC1	ZINC000840943145	631273220	/nfs/dbraw/zinc/27/32/20/631273220.db2.gz	FDGCLPQXGIKZDK-ZDUSSCGKSA-N	-1	0	267.369	2.692	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)sc1C	ZINC000042343950	649998263	/nfs/dbraw/zinc/99/82/63/649998263.db2.gz	GMMNSVCFNXIQPU-UHFFFAOYSA-N	-1	0	275.395	2.799	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])[C@@H](C)C(=O)OC(C)(C)C)n1	ZINC000842281096	631578473	/nfs/dbraw/zinc/57/84/73/631578473.db2.gz	JMKUDNFEPIKZMJ-ZJUUUORDSA-N	-1	0	294.376	2.606	20	30		CFEDRM
N#Cc1csc(/C=C2/Cc3c(ccc([O-])c3F)C2=O)n1	ZINC000811694818	631607116	/nfs/dbraw/zinc/60/71/16/631607116.db2.gz	UKBFVAUDHHDTJO-DAXSKMNVSA-N	-1	0	286.287	2.682	20	30		CFEDRM
CC(C)(C)c1n[nH]cc1C=NNc1ccccc1C(=O)[O-]	ZINC000812446065	631718769	/nfs/dbraw/zinc/71/87/69/631718769.db2.gz	LTEWDPGSTVKXLA-UHFFFAOYSA-N	-1	0	286.335	2.851	20	30		CFEDRM
O=C([O-])COc1ccc(C=NNc2ccccc2F)cc1	ZINC000812461042	631721918	/nfs/dbraw/zinc/72/19/18/631721918.db2.gz	ZSVHNBPYZHPXHO-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccccc2F)cc1	ZINC000812459019	631721990	/nfs/dbraw/zinc/72/19/90/631721990.db2.gz	OZCOHFQWJCSYCQ-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])cn1	ZINC000812709273	631762252	/nfs/dbraw/zinc/76/22/52/631762252.db2.gz	UMPTWUZFXMODQE-UHFFFAOYSA-N	-1	0	294.310	2.614	20	30		CFEDRM
C[C@@H]1SCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000843265277	631913180	/nfs/dbraw/zinc/91/31/80/631913180.db2.gz	VVKGTLOEAWTMMF-GQNAQIJYSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000843264604	631913267	/nfs/dbraw/zinc/91/32/67/631913267.db2.gz	PYGTWZVRYQVHOF-JPYHAIDYSA-N	-1	0	284.699	2.550	20	30		CFEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000843270052	631915159	/nfs/dbraw/zinc/91/51/59/631915159.db2.gz	SXWNFCPNTUQHQL-ZZXKWVIFSA-N	-1	0	286.331	2.846	20	30		CFEDRM
Cc1nnsc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814212031	632039494	/nfs/dbraw/zinc/03/94/94/632039494.db2.gz	BFELXUNZWTZFIL-UHFFFAOYSA-N	-1	0	296.739	2.644	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2c([O-])cc(F)cc2F)C1	ZINC000844000255	632092291	/nfs/dbraw/zinc/09/22/91/632092291.db2.gz	UYYSLNJYILUALV-JTQLQIEISA-N	-1	0	279.286	2.546	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000856027818	635703586	/nfs/dbraw/zinc/70/35/86/635703586.db2.gz	BKZOYAAFCWCPOX-ZDUSSCGKSA-N	-1	0	297.395	2.758	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1	ZINC000814682048	632107996	/nfs/dbraw/zinc/10/79/96/632107996.db2.gz	GFDMBRHTZLLEFY-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H]1CC(=O)[O-]	ZINC000814694596	632109598	/nfs/dbraw/zinc/10/95/98/632109598.db2.gz	QVCZBLWLGFWQFU-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[C@@H]1C(=O)[O-]	ZINC000814709238	632111713	/nfs/dbraw/zinc/11/17/13/632111713.db2.gz	WCGSMIXOEVQIMV-ONGXEEELSA-N	-1	0	286.335	2.852	20	30		CFEDRM
Cc1sccc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000814723688	632114079	/nfs/dbraw/zinc/11/40/79/632114079.db2.gz	KVVYDKBOUVOONA-UHFFFAOYSA-N	-1	0	292.311	2.838	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814763434	632119323	/nfs/dbraw/zinc/11/93/23/632119323.db2.gz	CNAJQFYUNKBUHB-GHMZBOCLSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814763789	632119770	/nfs/dbraw/zinc/11/97/70/632119770.db2.gz	LNTRZCCYJHPLRQ-JQWIXIFHSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCON=C(C)c1ccc(OCCCC(=O)[O-])c(OC)c1	ZINC000814788715	632123325	/nfs/dbraw/zinc/12/33/25/632123325.db2.gz	HPVRWHROTICNCH-UHFFFAOYSA-N	-1	0	295.335	2.699	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cnc2ccccc2n1	ZINC000814830314	632133464	/nfs/dbraw/zinc/13/34/64/632133464.db2.gz	GVOSRRLITOFQGR-WDEREUQCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2cnc3ccccc3n2)c1	ZINC000814830525	632133599	/nfs/dbraw/zinc/13/35/99/632133599.db2.gz	MWOUCMCWGBXJOV-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(F)cn2)CC[C@@H]1CC(=O)[O-]	ZINC000814842423	632136910	/nfs/dbraw/zinc/13/69/10/632136910.db2.gz	HFBOKSADLWKERV-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1csc(C(=O)[O-])c1	ZINC000814842747	632137035	/nfs/dbraw/zinc/13/70/35/632137035.db2.gz	QXCOHCBSYZTNNW-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
CCCCCCCCCNC(=O)C(C)(C)C(=O)[O-]	ZINC000844245671	632145211	/nfs/dbraw/zinc/14/52/11/632145211.db2.gz	VLIJOPIKTQJQMZ-UHFFFAOYSA-N	-1	0	257.374	2.964	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NOCC(F)(F)F	ZINC000814879317	632146049	/nfs/dbraw/zinc/14/60/49/632146049.db2.gz	BWGMYTDJOFYMCH-UHFFFAOYSA-N	-1	0	253.220	2.586	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncc(F)cn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814888613	632149872	/nfs/dbraw/zinc/14/98/72/632149872.db2.gz	IAONRTIMDXVDIR-PSASIEDQSA-N	-1	0	294.330	2.541	20	30		CFEDRM
O=C([O-])c1cccc(C=NO[C@@H]2CCCCO2)c1Cl	ZINC000814888103	632150309	/nfs/dbraw/zinc/15/03/09/632150309.db2.gz	XKDDQUDGVDMYIQ-LLVKDONJSA-N	-1	0	283.711	2.915	20	30		CFEDRM
CC(=NNCC(C)C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814892259	632151702	/nfs/dbraw/zinc/15/17/02/632151702.db2.gz	PJUWXPYRWCVVAK-UHFFFAOYSA-N	-1	0	292.379	2.900	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccncc1	ZINC000814899697	632154722	/nfs/dbraw/zinc/15/47/22/632154722.db2.gz	IYLIFXZWDNLACN-UHFFFAOYSA-N	-1	0	263.341	2.717	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(F)c1	ZINC000814901880	632155642	/nfs/dbraw/zinc/15/56/42/632155642.db2.gz	APBURIRSOFZRSN-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814916268	632163288	/nfs/dbraw/zinc/16/32/88/632163288.db2.gz	DSXPHEJIUSREFW-PWSUYJOCSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CSCCON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814921851	632165873	/nfs/dbraw/zinc/16/58/73/632165873.db2.gz	GQOLDSNVEGIHGG-LLVKDONJSA-N	-1	0	297.376	2.642	20	30		CFEDRM
C[C@H]1C(N=Nc2ncccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814927370	632168644	/nfs/dbraw/zinc/16/86/44/632168644.db2.gz	LGNFCDSPJORVNZ-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
COCCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814931862	632170022	/nfs/dbraw/zinc/17/00/22/632170022.db2.gz	VBVRKVJPXYUTHS-QWRGUYRKSA-N	-1	0	271.357	2.552	20	30		CFEDRM
CC[C@H](NN=C(C)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000814936628	632173659	/nfs/dbraw/zinc/17/36/59/632173659.db2.gz	COGCJAYRICYUTO-AWEZNQCLSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@@H](c2ccccc2)C1)C(=O)[O-]	ZINC000814937329	632174374	/nfs/dbraw/zinc/17/43/74/632174374.db2.gz	BYOVXLXLYSXWLT-TZMCWYRMSA-N	-1	0	260.337	2.763	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2cccc(Cl)n2)CC1	ZINC000814939567	632175399	/nfs/dbraw/zinc/17/53/99/632175399.db2.gz	VVZYAGQNSSOBPJ-UHFFFAOYSA-N	-1	0	267.716	2.778	20	30		CFEDRM
C[C@@H]1C(=NOCC2CC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814941183	632176018	/nfs/dbraw/zinc/17/60/18/632176018.db2.gz	PTXWSYDPEHFSHL-KOLCDFICSA-N	-1	0	253.342	2.926	20	30		CFEDRM
C=C(C)CON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000844619425	632265097	/nfs/dbraw/zinc/26/50/97/632265097.db2.gz	DKKGHERLHBLQIX-GFCCVEGCSA-N	-1	0	277.320	2.855	20	30		CFEDRM
Cc1c(N=NC[C@H]2CCSC2)cccc1C(=O)[O-]	ZINC000844622932	632267033	/nfs/dbraw/zinc/26/70/33/632267033.db2.gz	JBNHOEWNWUVBSL-SNVBAGLBSA-N	-1	0	264.350	2.844	20	30		CFEDRM
Cc1c(N=NC(C)COC(C)C)cccc1C(=O)[O-]	ZINC000844624332	632267710	/nfs/dbraw/zinc/26/77/10/632267710.db2.gz	WJYVIQQWKIKWBN-UHFFFAOYSA-N	-1	0	264.325	2.906	20	30		CFEDRM
COCCCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844625309	632268860	/nfs/dbraw/zinc/26/88/60/632268860.db2.gz	YOEYLWBMBCHICK-UHFFFAOYSA-N	-1	0	250.298	2.518	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncn(C(C)C)n1	ZINC000844834058	632320060	/nfs/dbraw/zinc/32/00/60/632320060.db2.gz	MCLZVUSVJFFDKZ-UHFFFAOYSA-N	-1	0	288.417	2.571	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2sccc2F)c1	ZINC000815878140	632327797	/nfs/dbraw/zinc/32/77/97/632327797.db2.gz	VDRIKAZGRRCZKE-UHFFFAOYSA-N	-1	0	262.265	2.717	20	30		CFEDRM
N#Cc1cscc1C(=O)Nc1nc(Cl)ccc1[O-]	ZINC000816427421	632454130	/nfs/dbraw/zinc/45/41/30/632454130.db2.gz	XLICGYBQZFNUMJ-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1nccs1	ZINC000845846776	632579362	/nfs/dbraw/zinc/57/93/62/632579362.db2.gz	VOCFGKWBYCUDSG-GFCCVEGCSA-N	-1	0	296.351	2.766	20	30		CFEDRM
C=CCO[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCC1	ZINC000846250339	632674163	/nfs/dbraw/zinc/67/41/63/632674163.db2.gz	ZDFHHFQKFWOGFW-UHFFFAOYSA-N	-1	0	283.368	2.512	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ncc(-c2ccc(C)cc2)o1	ZINC000846263239	632677241	/nfs/dbraw/zinc/67/72/41/632677241.db2.gz	HILOKOVZMMYXJJ-UHFFFAOYSA-N	-1	0	286.331	2.723	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccccc1OCC	ZINC000846536532	632725727	/nfs/dbraw/zinc/72/57/27/632725727.db2.gz	PFZYUEDUSCKWEH-UHFFFAOYSA-N	-1	0	285.290	2.801	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)c1c(F)cccc1F	ZINC000846535742	632725835	/nfs/dbraw/zinc/72/58/35/632725835.db2.gz	LRVPZURXAWPIHU-SECBINFHSA-N	-1	0	255.264	2.692	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(SC)cc1	ZINC000846537003	632726092	/nfs/dbraw/zinc/72/60/92/632726092.db2.gz	FJTMVEWSQJNELH-LLVKDONJSA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(F)cc2)CCC1	ZINC000846538594	632727514	/nfs/dbraw/zinc/72/75/14/632727514.db2.gz	VXFMEZZENBLLRI-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1	ZINC000846538011	632727549	/nfs/dbraw/zinc/72/75/49/632727549.db2.gz	RGQQXCKPAOTDHC-RDBSUJKOSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc2c(c1)CCC2	ZINC000846542454	632730343	/nfs/dbraw/zinc/73/03/43/632730343.db2.gz	CBNQDJTYXVJOEG-NSHDSACASA-N	-1	0	277.389	2.890	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCSc2ccccc21	ZINC000846545853	632734020	/nfs/dbraw/zinc/73/40/20/632734020.db2.gz	JAOGYYAFKROVNM-PWSUYJOCSA-N	-1	0	263.362	2.888	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(C)c(Cl)c(C)c1	ZINC000846548336	632736747	/nfs/dbraw/zinc/73/67/47/632736747.db2.gz	NMGVGGVJEAKPGS-NSHDSACASA-N	-1	0	283.755	2.958	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@]1(C)CCCc2ccccc21	ZINC000846548783	632737381	/nfs/dbraw/zinc/73/73/81/632737381.db2.gz	HDAOQLRSLWJDOH-WBMJQRKESA-N	-1	0	259.349	2.903	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000846549762	632737575	/nfs/dbraw/zinc/73/75/75/632737575.db2.gz	SQPPIXNLCWPANZ-SSDOTTSWSA-N	-1	0	277.217	2.679	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(CC)(CC)C(=O)OC(C)(C)C	ZINC000846555301	632741774	/nfs/dbraw/zinc/74/17/74/632741774.db2.gz	OLMZEIYKPKCCHM-NSHDSACASA-N	-1	0	285.384	2.757	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCc2ccc(OC)cc21	ZINC000848245249	633222772	/nfs/dbraw/zinc/22/27/72/633222772.db2.gz	JTHOGARNWDWGHL-RISCZKNCSA-N	-1	0	275.348	2.737	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cn(C3CCC3)nn2)c([O-])c1	ZINC000849247747	633590577	/nfs/dbraw/zinc/59/05/77/633590577.db2.gz	XGXNKIPNSSCKBA-YVMONPNESA-N	-1	0	299.330	2.613	20	30		CFEDRM
Cc1cccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)c1C#N	ZINC000849476583	633638738	/nfs/dbraw/zinc/63/87/38/633638738.db2.gz	UQJPGVBPWXEJJI-NSHDSACASA-N	-1	0	269.304	2.766	20	30		CFEDRM
Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000108658554	633639738	/nfs/dbraw/zinc/63/97/38/633639738.db2.gz	ROXFMSZTEUDTEV-WAVCKPEOSA-N	-1	0	284.311	2.532	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12	ZINC000850898484	634127307	/nfs/dbraw/zinc/12/73/07/634127307.db2.gz	HLXPAJXXHDQTNZ-RWMBFGLXSA-N	-1	0	299.374	2.528	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CC=C(C)CC2)CC1	ZINC000851031586	634187521	/nfs/dbraw/zinc/18/75/21/634187521.db2.gz	DVZPFOPPKVBAIT-CQSZACIVSA-N	-1	0	297.420	2.678	20	30		CFEDRM
Cc1nnc(NN=Cc2cccc(C3CCCC3)c2)[n-]c1=O	ZINC000853270328	634956647	/nfs/dbraw/zinc/95/66/47/634956647.db2.gz	SHVLPERIVRDSNR-UHFFFAOYSA-N	-1	0	297.362	2.989	20	30		CFEDRM
Cc1nnc(N=NC2CCCC(C)(C)CC2)[n-]c1=O	ZINC000853270203	634956719	/nfs/dbraw/zinc/95/67/19/634956719.db2.gz	NDVCFFZAGMCISP-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CC1(Cl)Cl	ZINC000853280118	634958080	/nfs/dbraw/zinc/95/80/80/634958080.db2.gz	FIMNMZRXPSWENZ-SSDOTTSWSA-N	-1	0	273.119	2.976	20	30		CFEDRM
O=c1[n-]c(N=NCC2CCSCC2)nc2ccccc21	ZINC000853319273	634966850	/nfs/dbraw/zinc/96/68/50/634966850.db2.gz	NGELCZWFBHSAKP-UHFFFAOYSA-N	-1	0	288.376	2.876	20	30		CFEDRM
CCC(CC)CNN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853335435	634973733	/nfs/dbraw/zinc/97/37/33/634973733.db2.gz	USPQRQZUFMYJFM-UHFFFAOYSA-N	-1	0	295.770	2.728	20	30		CFEDRM
C#CCON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853347713	634979177	/nfs/dbraw/zinc/97/91/77/634979177.db2.gz	OGUYATLZACCIAG-UHFFFAOYSA-N	-1	0	275.304	2.546	20	30		CFEDRM
CCCOc1ccc(C=NN[C@@H](CC)C(=O)[O-])c(C)c1	ZINC000853348470	634979748	/nfs/dbraw/zinc/97/97/48/634979748.db2.gz	ILQYSIGFNDTODH-AWEZNQCLSA-N	-1	0	278.352	2.571	20	30		CFEDRM
Cc1c(N=NC2COC3(CCC3)C2)cccc1C(=O)[O-]	ZINC000853369989	634985417	/nfs/dbraw/zinc/98/54/17/634985417.db2.gz	CCHIRSPLQPBTHO-UHFFFAOYSA-N	-1	0	274.320	2.804	20	30		CFEDRM
CC(=NOCC1CCC1)c1cc(C(=O)[O-])ccc1O	ZINC000853439834	635000537	/nfs/dbraw/zinc/00/05/37/635000537.db2.gz	SGFAHXVKSIVRHN-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cn1	ZINC000111998987	635243344	/nfs/dbraw/zinc/24/33/44/635243344.db2.gz	MBIZHYOTWZHGFR-HWKANZROSA-N	-1	0	260.268	2.644	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CC1	ZINC000855582291	635590282	/nfs/dbraw/zinc/59/02/82/635590282.db2.gz	DNDJPANCVUVXBK-QMMMGPOBSA-N	-1	0	287.344	2.633	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cccc(OCC(C)C)c1	ZINC000856034440	635709816	/nfs/dbraw/zinc/70/98/16/635709816.db2.gz	NDMQEBYEZCTLAK-UHFFFAOYSA-N	-1	0	293.363	2.724	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](OC(C)C)c1ccccc1	ZINC000856035898	635710547	/nfs/dbraw/zinc/71/05/47/635710547.db2.gz	MPWUBHLCKAIBIX-CQSZACIVSA-N	-1	0	263.337	2.777	20	30		CFEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OCC1CCC1	ZINC000856350368	635792260	/nfs/dbraw/zinc/79/22/60/635792260.db2.gz	HKCQOJVENAECBB-OAHLLOKOSA-N	-1	0	272.348	2.607	20	30		CFEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OCC3CCC3)CC2)c1	ZINC000856351283	635793484	/nfs/dbraw/zinc/79/34/84/635793484.db2.gz	GZOZSTQPIGUJEG-UHFFFAOYSA-N	-1	0	288.322	2.577	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1cc(F)ccc1F	ZINC000048405121	650265271	/nfs/dbraw/zinc/26/52/71/650265271.db2.gz	AKZPGXHEDOMURQ-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000048423013	650265414	/nfs/dbraw/zinc/26/54/14/650265414.db2.gz	VORKIFADEJOWLA-UHFFFAOYSA-N	-1	0	287.406	2.783	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1	ZINC000048519488	650269805	/nfs/dbraw/zinc/26/98/05/650269805.db2.gz	AHKQISHTXVLERT-GFCCVEGCSA-N	-1	0	290.344	2.560	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1	ZINC000048519028	650269962	/nfs/dbraw/zinc/26/99/62/650269962.db2.gz	IRYIJPMWBDNIRF-UHFFFAOYSA-N	-1	0	297.376	2.921	20	30		CFEDRM
Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C(C)C)c1	ZINC000048564706	650271046	/nfs/dbraw/zinc/27/10/46/650271046.db2.gz	FZFQUCSQUHYLNZ-UHFFFAOYSA-N	-1	0	292.360	2.844	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc([C@H](C)CC)c1	ZINC000861899370	637254471	/nfs/dbraw/zinc/25/44/71/637254471.db2.gz	RAHAVYBYKQABQT-GFCCVEGCSA-N	-1	0	290.363	2.763	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1	ZINC000864156195	637895621	/nfs/dbraw/zinc/89/56/21/637895621.db2.gz	MWQAQKYLHQQBMU-UPZNUWHASA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000864178908	637904484	/nfs/dbraw/zinc/90/44/84/637904484.db2.gz	NNCBAXIAAUIHHX-ZDUSSCGKSA-N	-1	0	273.332	2.874	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000864183558	637906764	/nfs/dbraw/zinc/90/67/64/637906764.db2.gz	KWKHPTKZVGPDQK-ACGXKRRESA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000864182552	637906780	/nfs/dbraw/zinc/90/67/80/637906780.db2.gz	AGMZUSDSNVTUGC-BXKDBHETSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864184565	637907242	/nfs/dbraw/zinc/90/72/42/637907242.db2.gz	ORGZYHWZDCDAJQ-ZWNOBZJWSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864184932	637907280	/nfs/dbraw/zinc/90/72/80/637907280.db2.gz	UAPYFEZKNQHBDF-ZDUSSCGKSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000864185814	637907299	/nfs/dbraw/zinc/90/72/99/637907299.db2.gz	CPXJZJCTNUNLQT-TUAOUCFPSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000864184780	637907764	/nfs/dbraw/zinc/90/77/64/637907764.db2.gz	SQBBXCXRYLEHHI-DGCLKSJQSA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCC1CCCC1)C(=O)[O-]	ZINC000864184452	637907795	/nfs/dbraw/zinc/90/77/95/637907795.db2.gz	WNAPSIHSTRDCDV-LLVKDONJSA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccoc1CCC)C(=O)[O-]	ZINC000864186517	637908399	/nfs/dbraw/zinc/90/83/99/637908399.db2.gz	REUAGUUTVGBTCX-JTQLQIEISA-N	-1	0	285.727	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000864186460	637908430	/nfs/dbraw/zinc/90/84/30/637908430.db2.gz	PWZVHJIVMVUFSG-VIFPVBQESA-N	-1	0	295.713	2.524	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000864187050	637908516	/nfs/dbraw/zinc/90/85/16/637908516.db2.gz	CRPLTRWOKCELQD-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)c1cccc(F)c1)C(=O)[O-]	ZINC000864186962	637908762	/nfs/dbraw/zinc/90/87/62/637908762.db2.gz	AVZZJWIYHPYHIR-MSKHEQNASA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000864188746	637909636	/nfs/dbraw/zinc/90/96/36/637909636.db2.gz	KGXFKUUQHXUESN-WOPDTQHZSA-N	-1	0	287.787	2.915	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2CCSC2)c1	ZINC000864347455	637948053	/nfs/dbraw/zinc/94/80/53/637948053.db2.gz	QWCHPEGOWFQIRT-WWNSAXIVSA-N	-1	0	280.349	2.863	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2C(F)(F)F)c1	ZINC000864347619	637948684	/nfs/dbraw/zinc/94/86/84/637948684.db2.gz	UYXBQMWRWBWEJM-LABSWDEDSA-N	-1	0	274.198	2.670	20	30		CFEDRM
O=C(/C=C\c1ccnn1CC1CCC1)c1ccc(O)cc1[O-]	ZINC000865220401	638226088	/nfs/dbraw/zinc/22/60/88/638226088.db2.gz	JBYLLAFHYRZGME-DAXSKMNVSA-N	-1	0	298.342	2.991	20	30		CFEDRM
C[C@@H](N[C@@H](C)c1csnn1)c1cccc(C#N)c1[O-]	ZINC000866374809	638808549	/nfs/dbraw/zinc/80/85/49/638808549.db2.gz	NZAXEUZHQXTPSH-BDAKNGLRSA-N	-1	0	274.349	2.527	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(F)cc1F	ZINC000191258453	650485881	/nfs/dbraw/zinc/48/58/81/650485881.db2.gz	WEOIZUSJUSGDFJ-JTQLQIEISA-N	-1	0	297.301	2.558	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](CC)c1ccc(C)cc1	ZINC000191271351	650486928	/nfs/dbraw/zinc/48/69/28/650486928.db2.gz	WKCXQNHISIZVFY-CQSZACIVSA-N	-1	0	289.375	2.978	20	30		CFEDRM
N#CC(=C([O-])c1conc1C1CCCC1)c1ccncn1	ZINC000870287914	639581381	/nfs/dbraw/zinc/58/13/81/639581381.db2.gz	MVCQNRDHGWMJMF-NSHDSACASA-N	-1	0	282.303	2.612	20	30		CFEDRM
CO[C@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCCC1	ZINC000870691109	639773643	/nfs/dbraw/zinc/77/36/43/639773643.db2.gz	ZWQAKXRNTKAJGB-HNNXBMFYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@]23C[C@H]2CCCC3)c1	ZINC000870692120	639774945	/nfs/dbraw/zinc/77/49/45/639774945.db2.gz	YLSWOCZSLSFWMH-IUODEOHRSA-N	-1	0	256.305	2.549	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(F)c1	ZINC000079137205	650563368	/nfs/dbraw/zinc/56/33/68/650563368.db2.gz	RKDPMBXYRRFGFC-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)cc1	ZINC000193368892	650647538	/nfs/dbraw/zinc/64/75/38/650647538.db2.gz	FDRKUZNTNLEKSK-HNNXBMFYSA-N	-1	0	286.375	2.878	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1	ZINC000193370489	650647676	/nfs/dbraw/zinc/64/76/76/650647676.db2.gz	IWOXWBHJEZUIOK-ZDUSSCGKSA-N	-1	0	294.301	2.594	20	30		CFEDRM
CC1(C)CO[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871596822	641361943	/nfs/dbraw/zinc/36/19/43/641361943.db2.gz	DWMMIOMFUUFHIK-QNKXHIPISA-N	-1	0	278.308	2.534	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1	ZINC000871597532	641362609	/nfs/dbraw/zinc/36/26/09/641362609.db2.gz	RZLIQDIGOCYFKG-NHBZXSOGSA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000871647102	641380270	/nfs/dbraw/zinc/38/02/70/641380270.db2.gz	YRJNZSGTLDNRRN-UHFFFAOYSA-N	-1	0	294.395	2.770	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000871646776	641380616	/nfs/dbraw/zinc/38/06/16/641380616.db2.gz	RXJZJHGNRUIVKJ-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CC(C)C1N=NC(=S)N1N=Cc1ccc(F)c(F)c1[O-]	ZINC000872332802	641758232	/nfs/dbraw/zinc/75/82/32/641758232.db2.gz	RKJMESBMJUWWME-UHFFFAOYSA-N	-1	0	298.318	2.556	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccnn1CC1CCC1	ZINC000872338520	641759433	/nfs/dbraw/zinc/75/94/33/641759433.db2.gz	RMGSYBSANRYACD-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
CCC(N=Nc1ccccc1C(=O)[O-])[C@H]1CCCOC1	ZINC000872338019	641759470	/nfs/dbraw/zinc/75/94/70/641759470.db2.gz	MANLVXVGKXRJFW-NSHDSACASA-N	-1	0	276.336	2.989	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(CC(F)(F)F)cc1)C(=O)[O-]	ZINC000872376460	641780330	/nfs/dbraw/zinc/78/03/30/641780330.db2.gz	LMPFCRHJKVERNG-NSHDSACASA-N	-1	0	288.269	2.578	20	30		CFEDRM
CC[C@H](NN=Cc1cn(C)c2cc(Cl)ccc12)C(=O)[O-]	ZINC000872376927	641780563	/nfs/dbraw/zinc/78/05/63/641780563.db2.gz	VRGLNFDUWKDWNJ-LBPRGKRZSA-N	-1	0	293.754	2.618	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCCOCC(F)F)c(F)c1	ZINC000872379759	641783086	/nfs/dbraw/zinc/78/30/86/641783086.db2.gz	KOMVIXNXRMCNBE-UHFFFAOYSA-N	-1	0	290.241	2.593	20	30		CFEDRM
C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)CC[C@H]1C(=O)[O-]	ZINC000872407033	641796328	/nfs/dbraw/zinc/79/63/28/641796328.db2.gz	OODYYRFFVAUPMP-CKYFFXLPSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C#CCOc1ccc(NC(=O)[C@@](C)(CC)CC(=O)[O-])cc1	ZINC000872842453	641949529	/nfs/dbraw/zinc/94/95/29/641949529.db2.gz	AXHOCGDUSWNWOE-INIZCTEOSA-N	-1	0	289.331	2.528	20	30		CFEDRM
CCCCCCCNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000872882878	641955794	/nfs/dbraw/zinc/95/57/94/641955794.db2.gz	ZPZDGAYYFTWVSD-CQSZACIVSA-N	-1	0	257.374	2.964	20	30		CFEDRM
C#CCN(C(=O)CC1(CC(=O)[O-])CCC1)C1CCCCC1	ZINC000872916302	641963497	/nfs/dbraw/zinc/96/34/97/641963497.db2.gz	UPWUNJHTERTWPN-UHFFFAOYSA-N	-1	0	291.391	2.816	20	30		CFEDRM
C=CCN(C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21)C1CC1	ZINC000872966768	641973724	/nfs/dbraw/zinc/97/37/24/641973724.db2.gz	RXXNFRJDFNNGFA-GOSISDBHSA-N	-1	0	299.370	2.522	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872981128	641975834	/nfs/dbraw/zinc/97/58/34/641975834.db2.gz	RBKWAEFMVZAPBD-NWDGAFQWSA-N	-1	0	299.436	2.834	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000872982018	641976915	/nfs/dbraw/zinc/97/69/15/641976915.db2.gz	QZFIKWHZTGNAMY-YOEHRIQHSA-N	-1	0	293.407	2.775	20	30		CFEDRM
C=CC[C@H]1N(C(=O)CCCC(=O)[O-])CCCC1(C)C	ZINC000872986273	641977872	/nfs/dbraw/zinc/97/78/72/641977872.db2.gz	MKNONYOWKUZPPM-GFCCVEGCSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872994351	641980379	/nfs/dbraw/zinc/98/03/79/641980379.db2.gz	VWYLAQUWWLNMEO-NSHDSACASA-N	-1	0	263.337	2.509	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874401838	642380040	/nfs/dbraw/zinc/38/00/40/642380040.db2.gz	RVWGKOZACSXONX-GFCCVEGCSA-N	-1	0	276.336	2.539	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1cc(F)ccc1F	ZINC000086055093	650794600	/nfs/dbraw/zinc/79/46/00/650794600.db2.gz	UFLXYUJVKNGVQF-UHFFFAOYSA-N	-1	0	289.303	2.542	20	30		CFEDRM
CC[C@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000087510614	650803944	/nfs/dbraw/zinc/80/39/44/650803944.db2.gz	JPWZWOMXLAAWGC-SNVBAGLBSA-N	-1	0	269.304	2.629	20	30		CFEDRM
C=CCCC[C@H](C(=O)[N-]OCCOC)c1ccccc1	ZINC000879088416	644138693	/nfs/dbraw/zinc/13/86/93/644138693.db2.gz	UYEMHYQKZSWVAG-HNNXBMFYSA-N	-1	0	277.364	2.821	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCSc1ccc(C)cc1	ZINC000092462036	650920238	/nfs/dbraw/zinc/92/02/38/650920238.db2.gz	ZQTDUJRDZLPKKP-UHFFFAOYSA-N	-1	0	293.388	2.576	20	30		CFEDRM
C=CCCC[C@@H](C(=O)[N-]OC(C)(C)CO)c1ccccc1	ZINC000880264991	644619979	/nfs/dbraw/zinc/61/99/79/644619979.db2.gz	PCIOIXFVVWOXRR-OAHLLOKOSA-N	-1	0	291.391	2.945	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(F)cc1F	ZINC000880725106	644817272	/nfs/dbraw/zinc/81/72/72/644817272.db2.gz	NUYVGYRLNLVDSN-UHFFFAOYSA-N	-1	0	269.291	2.866	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3occc3[nH]2)c1	ZINC000133564473	646159304	/nfs/dbraw/zinc/15/93/04/646159304.db2.gz	NOSXJCWJLQYIAB-UHFFFAOYSA-N	-1	0	267.244	2.590	20	30		CFEDRM
COc1ccc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc1O	ZINC000216174338	646535115	/nfs/dbraw/zinc/53/51/15/646535115.db2.gz	VUNYATWOLDFHNV-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C=C1CCC(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC1	ZINC000887325030	647271653	/nfs/dbraw/zinc/27/16/53/647271653.db2.gz	CQLPAQMEUZFSEL-UHFFFAOYSA-N	-1	0	287.359	2.676	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000302459664	647408154	/nfs/dbraw/zinc/40/81/54/647408154.db2.gz	DRKZNSNOKIRHDI-CHWSQXEVSA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034636	648974585	/nfs/dbraw/zinc/97/45/85/648974585.db2.gz	QXEHIKNPQYPSSQ-KOLCDFICSA-N	-1	0	282.365	2.528	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c(C)c1	ZINC000119701655	651299876	/nfs/dbraw/zinc/29/98/76/651299876.db2.gz	LALGOVMPLIHTBQ-HNNXBMFYSA-N	-1	0	284.359	2.685	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1F	ZINC000119790048	651300279	/nfs/dbraw/zinc/30/02/79/651300279.db2.gz	SKMMSQQAIZHQEC-ZDUSSCGKSA-N	-1	0	288.322	2.515	20	30		CFEDRM
Cc1nnc(-c2cc(F)cc(F)c2[O-])c(C#N)c1C	ZINC001243500788	782237083	/nfs/dbraw/zinc/23/70/83/782237083.db2.gz	UVURYGNQRDVEFD-UHFFFAOYSA-N	-1	0	261.231	2.616	20	30		CFEDRM
Cc1nnc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1C	ZINC001243512550	782247691	/nfs/dbraw/zinc/24/76/91/782247691.db2.gz	VRMDTMTUIQXUKX-UHFFFAOYSA-N	-1	0	289.241	2.609	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243514309	782249643	/nfs/dbraw/zinc/24/96/43/782249643.db2.gz	NGJAKHRBHJZTPJ-UHFFFAOYSA-N	-1	0	289.241	2.554	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243519160	782251663	/nfs/dbraw/zinc/25/16/63/782251663.db2.gz	ZIRQECOVEIROEO-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cc(F)c([O-])cc1F	ZINC001206760644	769846237	/nfs/dbraw/zinc/84/62/37/769846237.db2.gz	BHWQFKKRGMJXIF-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
[O-]/N=C/c1cc(NCc2cncnc2)cc(C(F)(F)F)c1	ZINC001167266094	770191411	/nfs/dbraw/zinc/19/14/11/770191411.db2.gz	JELUXOBFJBQEEP-IFRROFPPSA-N	-1	0	296.252	2.916	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1cnn(C(F)(F)F)c1	ZINC001210359794	770269502	/nfs/dbraw/zinc/26/95/02/770269502.db2.gz	JUHZLUYOTBBFRH-UHFFFAOYSA-N	-1	0	274.227	2.742	20	30		CFEDRM
CC#Cc1cncc([N-]c2nnc(C(C)(C)C)o2)c1	ZINC001211054145	770423037	/nfs/dbraw/zinc/42/30/37/770423037.db2.gz	MGRYSBKWUKMHBT-UHFFFAOYSA-N	-1	0	256.309	2.877	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1ccc(C#N)cc1N	ZINC001213351138	770625945	/nfs/dbraw/zinc/62/59/45/770625945.db2.gz	GELACUWHWXIUSH-UHFFFAOYSA-N	-1	0	256.290	2.523	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000588476345	770794791	/nfs/dbraw/zinc/79/47/91/770794791.db2.gz	KLSMOXWMBPLZDP-HYXAFXHYSA-N	-1	0	284.271	2.900	20	30		CFEDRM
C=C1CCC(CNC(=O)CC2(C(=O)[O-])CCCC2)CC1	ZINC000724455615	770888312	/nfs/dbraw/zinc/88/83/12/770888312.db2.gz	HBTDBZMEMZXHGN-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C#CCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000588565375	773212360	/nfs/dbraw/zinc/21/23/60/773212360.db2.gz	KKECKDGWUSFIAE-ZSOIEALJSA-N	-1	0	266.684	2.786	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)ccn1	ZINC001211615533	775251235	/nfs/dbraw/zinc/25/12/35/775251235.db2.gz	VANOBRIVVCJFTB-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C#C[C@H](CC(C)C)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224902662	775303326	/nfs/dbraw/zinc/30/33/26/775303326.db2.gz	JPZJEYQTKSSAPC-CQSZACIVSA-N	-1	0	296.388	2.540	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCS(=O)(=O)[O-]	ZINC001224899736	775304014	/nfs/dbraw/zinc/30/40/14/775304014.db2.gz	QZUMHTHPAYKTTR-AVGNSLFASA-N	-1	0	276.398	2.662	20	30		CFEDRM
C#C[C@@H](CCCCC)OCCCC[P@@](=O)([O-])O	ZINC001225023080	775339593	/nfs/dbraw/zinc/33/95/93/775339593.db2.gz	UGOULYBTAXMFHZ-LBPRGKRZSA-N	-1	0	262.286	2.543	20	30		CFEDRM
C=C1O[C@H](CC)C(=O)C1Oc1ccc([S-])cc1	ZINC001225554443	775498601	/nfs/dbraw/zinc/49/86/01/775498601.db2.gz	DFXLVBBYUZPVNV-LLVKDONJSA-N	-1	0	250.319	2.964	20	30		CFEDRM
N#CC1CCC(Oc2nc(C(F)(F)F)cc(=O)[n-]2)CC1	ZINC001225980811	775656462	/nfs/dbraw/zinc/65/64/62/775656462.db2.gz	PPUFMRBDBAUJMH-UHFFFAOYSA-N	-1	0	287.241	2.662	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1OC1CCC(F)(F)CC1	ZINC001226014417	775669005	/nfs/dbraw/zinc/66/90/05/775669005.db2.gz	XDIHGXRRNBPRHC-UHFFFAOYSA-N	-1	0	272.226	2.755	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H](C#N)c1ccccc1F	ZINC001226015123	775669244	/nfs/dbraw/zinc/66/92/44/775669244.db2.gz	GANVYHGKETXBAJ-GFCCVEGCSA-N	-1	0	287.225	2.581	20	30		CFEDRM
O/N=C/c1cccc(OC[C@H]2Cc3ccccc3O2)c1	ZINC001226110310	775702184	/nfs/dbraw/zinc/70/21/84/775702184.db2.gz	QAVWIBIVZZGYMP-ZXMBATIKSA-N	-1	0	269.300	2.877	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccnc2F)c1C#N	ZINC001226222639	775741736	/nfs/dbraw/zinc/74/17/36/775741736.db2.gz	FUKFEEIBUQJEKD-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000136228466	775769585	/nfs/dbraw/zinc/76/95/85/775769585.db2.gz	MPNZGJRBEDQINQ-CQSZACIVSA-N	-1	0	260.293	2.572	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2F)O1	ZINC001226423085	775816302	/nfs/dbraw/zinc/81/63/02/775816302.db2.gz	DNOBSBJIGHWQME-ZUZCIYMTSA-N	-1	0	296.342	2.911	20	30		CFEDRM
CCCCCCC[C@@H](CC)Oc1c([O-])c(=O)c1=O	ZINC001226604845	775889512	/nfs/dbraw/zinc/88/95/12/775889512.db2.gz	GPFJGBKCUROATF-SNVBAGLBSA-N	-1	0	254.326	2.506	20	30		CFEDRM
C=CC[C@H](C=C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226787663	775966046	/nfs/dbraw/zinc/96/60/46/775966046.db2.gz	KQGKOPDFFYKQCE-QMMMGPOBSA-N	-1	0	285.141	2.763	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977491	776043644	/nfs/dbraw/zinc/04/36/44/776043644.db2.gz	QONGBEOLWSIJQT-NSHDSACASA-N	-1	0	286.407	2.984	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001227069209	776081558	/nfs/dbraw/zinc/08/15/58/776081558.db2.gz	GNAFKJNXWWTHNK-QWRGUYRKSA-N	-1	0	286.335	2.738	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227095468	776092679	/nfs/dbraw/zinc/09/26/79/776092679.db2.gz	JOXLNFGNETWUMJ-JTQLQIEISA-N	-1	0	289.291	2.977	20	30		CFEDRM
CCc1sc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1C	ZINC000124493820	776210351	/nfs/dbraw/zinc/21/03/51/776210351.db2.gz	NGNJPSMVWVZLKN-LLVKDONJSA-N	-1	0	290.388	2.564	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=S)nnc2C)C(C)(C)O1	ZINC001227602619	776239764	/nfs/dbraw/zinc/23/97/64/776239764.db2.gz	UHZBVHIBFWCNSN-YGRLFVJLSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715730	776269232	/nfs/dbraw/zinc/26/92/32/776269232.db2.gz	FSFWZTGOVDVVDC-SFYZADRCSA-N	-1	0	284.381	2.639	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2cccc(F)c2[O-])c1	ZINC001126060490	776296663	/nfs/dbraw/zinc/29/66/63/776296663.db2.gz	NJLHOBGVGKDZPG-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000125559839	776349835	/nfs/dbraw/zinc/34/98/35/776349835.db2.gz	CHLRJOVKWPOVAG-AWEZNQCLSA-N	-1	0	290.338	2.845	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000125619967	776384698	/nfs/dbraw/zinc/38/46/98/776384698.db2.gz	ARTHVVKDWHDHPK-JTQLQIEISA-N	-1	0	296.754	2.952	20	30		CFEDRM
C#CC(C#C)Oc1cc(C(=O)c2ccccc2)ccc1O	ZINC001228154746	776411935	/nfs/dbraw/zinc/41/19/35/776411935.db2.gz	MZPNZMBWTZXYKY-UHFFFAOYSA-N	-1	0	276.291	2.637	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1F	ZINC001228898792	776649583	/nfs/dbraw/zinc/64/95/83/776649583.db2.gz	LYKPPTWKDZSWKC-VIFPVBQESA-N	-1	0	258.252	2.938	20	30		CFEDRM
COC(=O)c1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228899218	776650431	/nfs/dbraw/zinc/65/04/31/776650431.db2.gz	TULINVNYRDBNDI-SNVBAGLBSA-N	-1	0	298.298	2.585	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228900349	776651592	/nfs/dbraw/zinc/65/15/92/776651592.db2.gz	FGPJASWUIZBRJN-CYBMUJFWSA-N	-1	0	265.272	2.693	20	30		CFEDRM
COc1ccc2c(c1)CC[C@H](Oc1[n-]c(=O)ccc1C#N)C2	ZINC001228905132	776652965	/nfs/dbraw/zinc/65/29/65/776652965.db2.gz	JENUBDNKYVYWRX-HNNXBMFYSA-N	-1	0	296.326	2.604	20	30		CFEDRM
C[C@@H](CS)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911692	776655480	/nfs/dbraw/zinc/65/54/80/776655480.db2.gz	HBUFZCPDXBEQJH-LURJTMIESA-N	-1	0	270.741	2.686	20	30		CFEDRM
C#C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911530	776656461	/nfs/dbraw/zinc/65/64/61/776656461.db2.gz	DEQWSIYTTYLFIH-VIFPVBQESA-N	-1	0	262.696	2.779	20	30		CFEDRM
C[C@@H](Oc1ncnc2ccc(C#N)cc21)C1=CC=C[CH]1	ZINC001229104537	776720336	/nfs/dbraw/zinc/72/03/36/776720336.db2.gz	UCWWPEYMUUGHJO-LLVKDONJSA-N	-1	0	262.292	2.969	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137895	776730597	/nfs/dbraw/zinc/73/05/97/776730597.db2.gz	PDVIYHSRZUEVPY-YGRLFVJLSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#C[C@H](CC)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355437	776788116	/nfs/dbraw/zinc/78/81/16/776788116.db2.gz	HHWGRMIRQVJGJV-LLVKDONJSA-N	-1	0	290.340	2.877	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229378779	776794920	/nfs/dbraw/zinc/79/49/20/776794920.db2.gz	MXKPHXGVTLWSRA-SECBINFHSA-N	-1	0	267.285	2.522	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229408995	776804606	/nfs/dbraw/zinc/80/46/06/776804606.db2.gz	ZAIJMPQGBISGQH-WCQYABFASA-N	-1	0	268.316	2.825	20	30		CFEDRM
C/C(=N\O)c1ccccc1OC1CN(C(C)(C)C)C1	ZINC001229736759	776883824	/nfs/dbraw/zinc/88/38/24/776883824.db2.gz	JMJHZYGSERBFOX-LFIBNONCSA-N	-1	0	262.353	2.746	20	30		CFEDRM
C=CC[C@@H](Oc1ccccc1-c1nn[nH]n1)C(C)C	ZINC001229952208	776922519	/nfs/dbraw/zinc/92/25/19/776922519.db2.gz	ZSHJGUJINAHTIA-GFCCVEGCSA-N	-1	0	258.325	2.846	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1ncc(C(=O)OC)[n-]1	ZINC001230282028	776971131	/nfs/dbraw/zinc/97/11/31/776971131.db2.gz	NXYQACHTQLWUKC-GVXVVHGQSA-N	-1	0	278.352	2.956	20	30		CFEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282187	776972873	/nfs/dbraw/zinc/97/28/73/776972873.db2.gz	QDZWFDHUQFDCRY-AWEZNQCLSA-N	-1	0	298.342	2.796	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882984	777080471	/nfs/dbraw/zinc/08/04/71/777080471.db2.gz	IJIGJSPZARUXBC-SNVBAGLBSA-N	-1	0	260.268	2.655	20	30		CFEDRM
COC(=O)Cc1ccc(O[C@H](C)C2=CC=C[CH]2)cc1C#N	ZINC001231031589	777119548	/nfs/dbraw/zinc/11/95/48/777119548.db2.gz	SMZWTNSYYGWLSO-GFCCVEGCSA-N	-1	0	282.319	2.742	20	30		CFEDRM
C=CC[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(C)C	ZINC001231076517	777133800	/nfs/dbraw/zinc/13/38/00/777133800.db2.gz	NHIKZZHZXDPVBX-ZETCQYMHSA-N	-1	0	287.703	2.723	20	30		CFEDRM
O=C(c1ccccc1[O-])c1ccccc1O[C@@H]1C=CC(=O)C1	ZINC001231210075	777171651	/nfs/dbraw/zinc/17/16/51/777171651.db2.gz	IATBABVHUGHWGH-CYBMUJFWSA-N	-1	0	294.306	2.900	20	30		CFEDRM
C=C[C@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231222829	777174174	/nfs/dbraw/zinc/17/41/74/777174174.db2.gz	AZUQKOWPSUZZAR-SSDOTTSWSA-N	-1	0	268.225	2.552	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231224792	777174362	/nfs/dbraw/zinc/17/43/62/777174362.db2.gz	QYKKWGVJTMTENA-VIFPVBQESA-N	-1	0	294.263	2.779	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347435	777197079	/nfs/dbraw/zinc/19/70/79/777197079.db2.gz	LBVOKVSFVHBZLI-CMPLNLGQSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347736	777198279	/nfs/dbraw/zinc/19/82/79/777198279.db2.gz	QMBLNFGNMDFJMQ-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(F)c([O-])c(Br)c2)C1	ZINC001232633054	777625993	/nfs/dbraw/zinc/62/59/93/777625993.db2.gz	CTJLLXDVWRJJAA-MRVPVSSYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C[C@H](C#N)N(C)Cc1cc(F)c([O-])c(Br)c1	ZINC001232637109	777627352	/nfs/dbraw/zinc/62/73/52/777627352.db2.gz	MXRHSLRPRWQYFP-SSDOTTSWSA-N	-1	0	287.132	2.638	20	30		CFEDRM
N#C[C@H](Oc1n[n-]c(=O)cc1Cl)c1cccc(F)c1	ZINC001233591572	778002849	/nfs/dbraw/zinc/00/28/49/778002849.db2.gz	XXMFWIIQAOBORS-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387213	778082587	/nfs/dbraw/zinc/08/25/87/778082587.db2.gz	MCQHLHCOMHICGL-LLVKDONJSA-N	-1	0	275.695	2.869	20	30		CFEDRM
C#C[C@H](Oc1cc([O-])cc2occc(=O)c12)C(C)C	ZINC001233835486	778090031	/nfs/dbraw/zinc/09/00/31/778090031.db2.gz	ZEAFYHMRQIGPCD-LBPRGKRZSA-N	-1	0	258.273	2.535	20	30		CFEDRM
N#CCCN1CC(Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234425089	778223483	/nfs/dbraw/zinc/22/34/83/778223483.db2.gz	QZGKWWXDPUZMNQ-UHFFFAOYSA-N	-1	0	291.401	2.562	20	30		CFEDRM
N#CCN1CC[C@@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234426095	778224220	/nfs/dbraw/zinc/22/42/20/778224220.db2.gz	YYLKRXZSMGGUDP-SNVBAGLBSA-N	-1	0	291.401	2.562	20	30		CFEDRM
C#Cc1nccnc1Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC001211958308	778295941	/nfs/dbraw/zinc/29/59/41/778295941.db2.gz	KGTFCJSVZJBBRM-UHFFFAOYSA-N	-1	0	273.679	2.553	20	30		CFEDRM
C#C[C@@H](Oc1ccccc1C=N[O-])c1ccncc1	ZINC001234819055	778302049	/nfs/dbraw/zinc/30/20/49/778302049.db2.gz	GQROAIVTJPXICN-CQSZACIVSA-N	-1	0	252.273	2.643	20	30		CFEDRM
[O-]N=Cc1ccccc1OC[C@H]1COc2ccccc2O1	ZINC001234822149	778303169	/nfs/dbraw/zinc/30/31/69/778303169.db2.gz	KXOOYKQMUNWGOF-ZDUSSCGKSA-N	-1	0	285.299	2.714	20	30		CFEDRM
N#Cc1nc(-c2ccc(C=CC(=O)[O-])cc2)cc2nc[nH]c21	ZINC001235077974	778372261	/nfs/dbraw/zinc/37/22/61/778372261.db2.gz	OHGNOJMWZOCPDB-ZZXKWVIFSA-N	-1	0	290.282	2.594	20	30		CFEDRM
N#CCc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccn1	ZINC001235621743	778524529	/nfs/dbraw/zinc/52/45/29/778524529.db2.gz	DQXTWSICNGFRBV-ZZXKWVIFSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1ccc(Cl)cc1C(=O)[O-]	ZINC001142643098	778541604	/nfs/dbraw/zinc/54/16/04/778541604.db2.gz	FCUGPYOSXDIRSN-NSHDSACASA-N	-1	0	264.712	2.526	20	30		CFEDRM
CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccco1	ZINC000128899145	778633875	/nfs/dbraw/zinc/63/38/75/778633875.db2.gz	AUWYCANDPYADRT-NSHDSACASA-N	-1	0	298.298	2.639	20	30		CFEDRM
N#Cc1ccnc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235985203	778640805	/nfs/dbraw/zinc/64/08/05/778640805.db2.gz	KUHJRSVMHHDVSL-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1cc(-c2c(F)cc(F)c([O-])c2F)ccn1	ZINC001235994188	778644917	/nfs/dbraw/zinc/64/49/17/778644917.db2.gz	KRVFOGDCSVKTOC-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
COc1ncc(-c2c(F)cc(F)c([O-])c2F)cc1C#N	ZINC001235994064	778645392	/nfs/dbraw/zinc/64/53/92/778645392.db2.gz	JBCBUFVYCIGRHQ-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
CCc1nc(C#N)cc(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235996810	778647368	/nfs/dbraw/zinc/64/73/68/778647368.db2.gz	YREQUBHGYQYHMF-UHFFFAOYSA-N	-1	0	279.221	2.701	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000129056629	778663518	/nfs/dbraw/zinc/66/35/18/778663518.db2.gz	AWAHFYJPTMBWRQ-CQSZACIVSA-N	-1	0	284.359	2.585	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])cc1	ZINC001236058025	778672103	/nfs/dbraw/zinc/67/21/03/778672103.db2.gz	HRGQOLZUBUFJKW-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236061999	778675133	/nfs/dbraw/zinc/67/51/33/778675133.db2.gz	VCNDPBIKHATRLJ-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
Cc1c(Cl)c(-c2cnc(C#N)c(C#N)n2)ccc1C(=O)[O-]	ZINC001236116629	778699261	/nfs/dbraw/zinc/69/92/61/778699261.db2.gz	WWCJZUYMUBBAEW-UHFFFAOYSA-N	-1	0	298.689	2.547	20	30		CFEDRM
Cc1cc(C#N)nc(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236113103	778699343	/nfs/dbraw/zinc/69/93/43/778699343.db2.gz	KFHDDKKNHYTDHV-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
C#CCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176407067	779125730	/nfs/dbraw/zinc/12/57/30/779125730.db2.gz	XOEJUDBOVQTHRT-UHFFFAOYSA-N	-1	0	292.294	2.528	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237801834	779181301	/nfs/dbraw/zinc/18/13/01/779181301.db2.gz	IWSUWLXHAJVUKN-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998052	779226998	/nfs/dbraw/zinc/22/69/98/779226998.db2.gz	PUUGWWMTDBPLGU-MRVPVSSYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234568024	779245377	/nfs/dbraw/zinc/24/53/77/779245377.db2.gz	KDKMJSFCLAFLNU-VIFPVBQESA-N	-1	0	299.168	2.680	20	30		CFEDRM
CCCCN(CC#N)Cc1ccc(C(=O)[O-])cc1C	ZINC001238144225	779260674	/nfs/dbraw/zinc/26/06/74/779260674.db2.gz	HJGLVUCTLAZRMH-UHFFFAOYSA-N	-1	0	260.337	2.819	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238149165	779262483	/nfs/dbraw/zinc/26/24/83/779262483.db2.gz	GXLCSKIFOLGXMX-MRVPVSSYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])cc3F)ccc12	ZINC001239247367	779483981	/nfs/dbraw/zinc/48/39/81/779483981.db2.gz	RSQKEOOCOOZWAP-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2ccccc2s1	ZINC000130699097	779516223	/nfs/dbraw/zinc/51/62/23/779516223.db2.gz	FHMSLGXPJHIPIG-NSHDSACASA-N	-1	0	286.356	2.748	20	30		CFEDRM
CC(C)O[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C1(C)C	ZINC000764908013	779863301	/nfs/dbraw/zinc/86/33/01/779863301.db2.gz	SAUUTENWPACMAD-GFCCVEGCSA-N	-1	0	291.351	2.771	20	30		CFEDRM
Cn1nc(C(F)(F)F)cc1-c1ccccc1C=N[O-]	ZINC001240292034	780050188	/nfs/dbraw/zinc/05/01/88/780050188.db2.gz	UTXIVQONOWIZQL-UHFFFAOYSA-N	-1	0	269.226	2.914	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548517	780242376	/nfs/dbraw/zinc/24/23/76/780242376.db2.gz	OYQCUSOSEOLSTK-VOTSOKGWSA-N	-1	0	279.299	2.675	20	30		CFEDRM
N#CCc1cccnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548703	780242534	/nfs/dbraw/zinc/24/25/34/780242534.db2.gz	WQYNCZTXLPMOSQ-VOTSOKGWSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cccc(/C=C/C(=O)[O-])c3)cn12	ZINC001240550274	780245071	/nfs/dbraw/zinc/24/50/71/780245071.db2.gz	YIVUEBBPQCFCEA-QPJJXVBHSA-N	-1	0	289.294	2.971	20	30		CFEDRM
N#CCc1ccncc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240550671	780245256	/nfs/dbraw/zinc/24/52/56/780245256.db2.gz	JPUUUYLDVODNMU-SNAWJCMRSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cc(-c2cc(F)ccc2[O-])nc(C2CC2)n1	ZINC001240696856	780368230	/nfs/dbraw/zinc/36/82/30/780368230.db2.gz	ZITMWMKCRUJABC-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
Cc1cnc(Nc2cc(F)cc(F)c2O)c(C#N)c1	ZINC001212482035	780398453	/nfs/dbraw/zinc/39/84/53/780398453.db2.gz	XIYRJFFIIKQQLB-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
Cc1nc(C#N)ccc1Nc1cc(F)cc(F)c1O	ZINC001212482046	780398497	/nfs/dbraw/zinc/39/84/97/780398497.db2.gz	XQRWWUMXNJEMOB-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(C)n1	ZINC001240735983	780403288	/nfs/dbraw/zinc/40/32/88/780403288.db2.gz	SEGYYDHTRRBOHA-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cccnc1CC#N	ZINC001240736791	780404166	/nfs/dbraw/zinc/40/41/66/780404166.db2.gz	XJEJQMXOKQUZEH-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2ccc(CC#N)c(C)n2)ccc1C(=O)[O-]	ZINC001240741150	780406686	/nfs/dbraw/zinc/40/66/86/780406686.db2.gz	FXZPKFFRDYEJLB-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1cc(-c2ccc(C#N)cc2C#N)ccc1C(=O)[O-]	ZINC001240744958	780409912	/nfs/dbraw/zinc/40/99/12/780409912.db2.gz	PMFDMULQZBJYQT-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])s2)nc1C	ZINC001240843332	780470324	/nfs/dbraw/zinc/47/03/24/780470324.db2.gz	RPIPFRHTFNGHOU-UHFFFAOYSA-N	-1	0	258.302	2.997	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240971978	780560548	/nfs/dbraw/zinc/56/05/48/780560548.db2.gz	MIXUWWHAGIIISL-UHFFFAOYSA-N	-1	0	284.315	2.644	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cn1	ZINC001240999400	780582403	/nfs/dbraw/zinc/58/24/03/780582403.db2.gz	VOIDYLRRXAAACQ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(C(=O)[O-])ccc2C)c1	ZINC001240999701	780583611	/nfs/dbraw/zinc/58/36/11/780583611.db2.gz	QKJXSYIWBNDJJL-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(F)cnc1C#N	ZINC001241000743	780584623	/nfs/dbraw/zinc/58/46/23/780584623.db2.gz	KNEWCDCJMYJKNV-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccnc(CC#N)c1	ZINC001241003225	780586867	/nfs/dbraw/zinc/58/68/67/780586867.db2.gz	VUZLTDIXGMFSEE-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1nc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2F)o1	ZINC001212511768	780615947	/nfs/dbraw/zinc/61/59/47/780615947.db2.gz	DYMNVAUVVHWNCJ-UHFFFAOYSA-N	-1	0	279.202	2.575	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1	ZINC000133184661	780631049	/nfs/dbraw/zinc/63/10/49/780631049.db2.gz	PJGYNUSQUGJNHO-HNNXBMFYSA-N	-1	0	294.310	2.547	20	30		CFEDRM
CCc1nc(C#N)cc(-c2c(F)cc([O-])cc2F)n1	ZINC001241118724	780647754	/nfs/dbraw/zinc/64/77/54/780647754.db2.gz	FJIQFHLUBMKBKO-UHFFFAOYSA-N	-1	0	261.231	2.561	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000382856152	780656019	/nfs/dbraw/zinc/65/60/19/780656019.db2.gz	SBNSTEBNTUDKJQ-XFXZXTDPSA-N	-1	0	271.316	2.917	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241247638	780732413	/nfs/dbraw/zinc/73/24/13/780732413.db2.gz	UOQBFVCHCKATGL-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1cccc(C(=O)[O-])c1	ZINC001241357078	780806946	/nfs/dbraw/zinc/80/69/46/780806946.db2.gz	IBQCROCRQBKWDQ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
O=C([O-])c1cccc(-c2cc(/C=N/O)ccc2F)c1	ZINC001241360040	780809778	/nfs/dbraw/zinc/80/97/78/780809778.db2.gz	BFCSXWFEQZSQGE-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
CCCCCCCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000703748352	781051101	/nfs/dbraw/zinc/05/11/01/781051101.db2.gz	MHWCQCBFICJMLD-UHFFFAOYSA-N	-1	0	269.385	2.964	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000703726559	781052479	/nfs/dbraw/zinc/05/24/79/781052479.db2.gz	IQYRJDNLXQAGAR-ZDUSSCGKSA-N	-1	0	284.400	2.853	20	30		CFEDRM
CCCCCCCNC(=O)N[C@H](CC(F)(F)F)C(=O)[O-]	ZINC000703734699	781053093	/nfs/dbraw/zinc/05/30/93/781053093.db2.gz	NTXREOKGMQKOPO-SECBINFHSA-N	-1	0	298.305	2.662	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000703732583	781053458	/nfs/dbraw/zinc/05/34/58/781053458.db2.gz	COZSFPSAWFEKJJ-OLZOCXBDSA-N	-1	0	269.385	2.964	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000703732285	781053732	/nfs/dbraw/zinc/05/37/32/781053732.db2.gz	BNLLUEZZICUZBN-NWDGAFQWSA-N	-1	0	255.358	2.574	20	30		CFEDRM
Cc1cc(-c2cncc(C(=O)[O-])c2)cc(F)c1C#N	ZINC001241804184	781135615	/nfs/dbraw/zinc/13/56/15/781135615.db2.gz	HQJWLELQXRVDIO-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1	ZINC001241813324	781139512	/nfs/dbraw/zinc/13/95/12/781139512.db2.gz	PWDQUIFJWKMNMQ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241812226	781139938	/nfs/dbraw/zinc/13/99/38/781139938.db2.gz	FPYADFQDTVEKSG-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(C(=O)[O-])c1)CCOC2	ZINC001241821033	781143969	/nfs/dbraw/zinc/14/39/69/781143969.db2.gz	HHXIPZGIPFSHEZ-UHFFFAOYSA-N	-1	0	298.273	2.530	20	30		CFEDRM
N#Cc1cnc(-c2cc(C(F)(F)F)ccc2[O-])cn1	ZINC001242126176	781293538	/nfs/dbraw/zinc/29/35/38/781293538.db2.gz	IRMLBVBBXTWDQB-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc2nc[nH]c2c(C#N)n1	ZINC001242204348	781324721	/nfs/dbraw/zinc/32/47/21/781324721.db2.gz	BFGZSEUCMGEKCL-UHFFFAOYSA-N	-1	0	296.261	2.642	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(F)cc1[O-]	ZINC001242218556	781333312	/nfs/dbraw/zinc/33/33/12/781333312.db2.gz	FLSPWHNNRLKJGK-UHFFFAOYSA-N	-1	0	253.236	2.898	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])nc2)ncc1C(F)(F)F	ZINC001242335171	781404752	/nfs/dbraw/zinc/40/47/52/781404752.db2.gz	VCYWCBQGAPHADN-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CCc1ccc(F)cc1-c1ccc(C(=O)[O-])nc1	ZINC001242336096	781406348	/nfs/dbraw/zinc/40/63/48/781406348.db2.gz	ZERCYPCKKDTKCO-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c[nH]c2ccc(-c3ccc(C(=O)[O-])nc3)cc12	ZINC001242335845	781406491	/nfs/dbraw/zinc/40/64/91/781406491.db2.gz	PWULOQWPSHUYIL-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1cc2cc(-c3ccc(C(=O)[O-])nc3)ccc2[nH]1	ZINC001242336610	781407266	/nfs/dbraw/zinc/40/72/66/781407266.db2.gz	VIXPAOUPQRBGKR-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
CCc1nnc(-c2cccc(F)c2[O-])c(C#N)c1CC	ZINC001242350700	781422725	/nfs/dbraw/zinc/42/27/25/781422725.db2.gz	ITEGWNCORURTIV-UHFFFAOYSA-N	-1	0	271.295	2.985	20	30		CFEDRM
N#CCc1ccc(-c2cccc(C(=O)[O-])c2F)nc1	ZINC001242378536	781446484	/nfs/dbraw/zinc/44/64/84/781446484.db2.gz	ZADZXHNFJYJVQL-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1cnc(-c2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001242378590	781446628	/nfs/dbraw/zinc/44/66/28/781446628.db2.gz	BOGWAJFOMYKVKS-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2F)nc1CC#N	ZINC001242378760	781446669	/nfs/dbraw/zinc/44/66/69/781446669.db2.gz	JWFAYWMDLOGPJM-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccnc2[nH]cc(C#N)c21	ZINC001242390737	781459464	/nfs/dbraw/zinc/45/94/64/781459464.db2.gz	DXAYNWRGINKGHT-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3ccc([O-])c(C#N)c3)c2c1	ZINC001242562182	781600116	/nfs/dbraw/zinc/60/01/16/781600116.db2.gz	KMJNHNKAGABYRO-UHFFFAOYSA-N	-1	0	272.267	2.746	20	30		CFEDRM
CC(C)(C)Oc1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562803	781601876	/nfs/dbraw/zinc/60/18/76/781601876.db2.gz	LADHACIEXFAQOK-UHFFFAOYSA-N	-1	0	269.304	2.898	20	30		CFEDRM
CC1(C)C[C@H](NN=Cc2cccc(C(=O)[O-])c2)C(C)(C)O1	ZINC001119363818	781766846	/nfs/dbraw/zinc/76/68/46/781766846.db2.gz	VWQQYZAGIQQPIH-ZDUSSCGKSA-N	-1	0	290.363	2.654	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc([S-])c2)c(C#N)n1	ZINC001242867187	781811041	/nfs/dbraw/zinc/81/10/41/781811041.db2.gz	NCNHSZLOWZQXDA-UHFFFAOYSA-N	-1	0	270.313	2.696	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1ccccc1C(=O)[O-]	ZINC001242878547	781818127	/nfs/dbraw/zinc/81/81/27/781818127.db2.gz	HTNVOQHJDSAQQU-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#C[C@@H](NC(=O)C(F)(F)c1ccccc1)C1CCCC1	ZINC001119605067	781834588	/nfs/dbraw/zinc/83/45/88/781834588.db2.gz	LWXAZPPQPSJXHP-CYBMUJFWSA-N	-1	0	278.302	2.977	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001242924459	781846053	/nfs/dbraw/zinc/84/60/53/781846053.db2.gz	RMGRZJVGFFKNCK-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
CC#Cc1cncc(-c2cccc(C(=O)[O-])c2OC)c1	ZINC001242925404	781846801	/nfs/dbraw/zinc/84/68/01/781846801.db2.gz	ZWXCELKIRCEPMU-UHFFFAOYSA-N	-1	0	267.284	2.827	20	30		CFEDRM
C=CCCSCCNC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000595244125	349586160	/nfs/dbraw/zinc/58/61/60/349586160.db2.gz	HJXDZMDIRNBGIG-UHFFFAOYSA-N	-1	0	299.436	2.693	20	30		CFEDRM
Cc1cc(NC2(CC(=O)[O-])CCC2)cc(C#N)c1[N+](=O)[O-]	ZINC000595968002	349773118	/nfs/dbraw/zinc/77/31/18/349773118.db2.gz	CPJPWIUWHFYTCN-UHFFFAOYSA-N	-1	0	289.291	2.584	20	30		CFEDRM
N#Cc1cnc(N2CCC[C@H](CCC(=O)[O-])C2)c(Cl)c1	ZINC000595975248	349773744	/nfs/dbraw/zinc/77/37/44/349773744.db2.gz	PBHMFWPNKCDJSL-SNVBAGLBSA-N	-1	0	293.754	2.688	20	30		CFEDRM
N#Cc1nc(NC[C@H]2CCOC3(CCC3)C2)sc1Cl	ZINC000596255499	349842760	/nfs/dbraw/zinc/84/27/60/349842760.db2.gz	RZCCBBFYUVGVTH-VIFPVBQESA-N	-1	0	297.811	2.851	20	30		CFEDRM
N#Cc1nc(NC[C@@H](CO)C2CCCCC2)sc1Cl	ZINC000596243034	349838252	/nfs/dbraw/zinc/83/82/52/349838252.db2.gz	FADXGFZDHJEUFX-JTQLQIEISA-N	-1	0	299.827	2.691	20	30		CFEDRM
N#Cc1[n-]c(=N[C@@H]2CCCC[C@H]2F)sc1Cl	ZINC000596270013	349848678	/nfs/dbraw/zinc/84/86/78/349848678.db2.gz	ARVLBXGXPMXHGM-RNFRBKRXSA-N	-1	0	259.737	2.783	20	30		CFEDRM
CC1(C)C[C@@H](CNc2nc(C#N)c(Cl)s2)CCO1	ZINC000596263586	349847078	/nfs/dbraw/zinc/84/70/78/349847078.db2.gz	ICAQQXNCGPKPNJ-QMMMGPOBSA-N	-1	0	285.800	2.707	20	30		CFEDRM
N#Cc1ccc(CCN=c2[n-]nc(C(F)(F)F)s2)cc1	ZINC000596320766	349862671	/nfs/dbraw/zinc/86/26/71/349862671.db2.gz	PXCXJCNAWFDFEQ-UHFFFAOYSA-N	-1	0	298.293	2.505	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C(F)(F)F)s1	ZINC000596413064	349894708	/nfs/dbraw/zinc/89/47/08/349894708.db2.gz	CHVWEOWEYLGEQW-UHFFFAOYSA-N	-1	0	283.344	2.700	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21	ZINC000074849420	347039500	/nfs/dbraw/zinc/03/95/00/347039500.db2.gz	YXWADRYVNKGLKQ-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1F	ZINC000528919981	383677654	/nfs/dbraw/zinc/67/76/54/383677654.db2.gz	OEJGWXMGTWNRMI-JTQLQIEISA-N	-1	0	298.264	2.610	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000041543431	346352520	/nfs/dbraw/zinc/35/25/20/346352520.db2.gz	YDADOKNAABZIEA-LLVKDONJSA-N	-1	0	293.282	2.721	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c1	ZINC000076760023	347151798	/nfs/dbraw/zinc/15/17/98/347151798.db2.gz	VNOSNJUTEGIMFG-BQYQJAHWSA-N	-1	0	265.334	2.606	20	30		CFEDRM
C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000076761055	347152019	/nfs/dbraw/zinc/15/20/19/347152019.db2.gz	QDYXGNRNGWCBBY-MNOVXSKESA-N	-1	0	282.365	2.553	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000076755841	347152051	/nfs/dbraw/zinc/15/20/51/347152051.db2.gz	DKPFNGWHUREMIP-FPYGCLRLSA-N	-1	0	285.752	2.951	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C	ZINC000080456843	347359379	/nfs/dbraw/zinc/35/93/79/347359379.db2.gz	QRUFIKVHKUSXDT-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
COc1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000080255408	347352120	/nfs/dbraw/zinc/35/21/20/347352120.db2.gz	PJXFQVWUSJGJMA-LLVKDONJSA-N	-1	0	287.344	2.654	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1CC(C)C1	ZINC000084844051	347475266	/nfs/dbraw/zinc/47/52/66/347475266.db2.gz	GSDOFBARCUHKLD-UHFFFAOYSA-N	-1	0	267.350	2.686	20	30		CFEDRM
Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c(C#N)c1C	ZINC000085407858	347479773	/nfs/dbraw/zinc/47/97/73/347479773.db2.gz	BSXTWZMAYIXGBT-ZJUUUORDSA-N	-1	0	292.360	2.532	20	30		CFEDRM
N#CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1	ZINC000093563104	347679692	/nfs/dbraw/zinc/67/96/92/347679692.db2.gz	RUJYUOHMBFYJLQ-UHFFFAOYSA-N	-1	0	275.308	2.569	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)co1	ZINC000122681539	347816196	/nfs/dbraw/zinc/81/61/96/347816196.db2.gz	RIVMDHUBJZSGQI-SNVBAGLBSA-N	-1	0	294.314	2.614	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl	ZINC000132654939	347886154	/nfs/dbraw/zinc/88/61/54/347886154.db2.gz	OYBNHRYKKDTOLZ-WDEREUQCSA-N	-1	0	292.722	2.651	20	30		CFEDRM
CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163843137	348034958	/nfs/dbraw/zinc/03/49/58/348034958.db2.gz	SOMJGMFRPDDPMS-JTQLQIEISA-N	-1	0	272.226	2.852	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(F)c1	ZINC000168235795	348047741	/nfs/dbraw/zinc/04/77/41/348047741.db2.gz	CQZGQRPECLMEIW-MNOVXSKESA-N	-1	0	290.294	2.527	20	30		CFEDRM
CCCc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1	ZINC000187628341	348130947	/nfs/dbraw/zinc/13/09/47/348130947.db2.gz	HITGZIHVFCBZEQ-KBOKABMXSA-N	-1	0	298.338	2.867	20	30		CFEDRM
CC(C)=C[C@H]1[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1(C)C	ZINC000588766752	348795444	/nfs/dbraw/zinc/79/54/44/348795444.db2.gz	LNQLQKVGIMPFHW-QWHCGFSZSA-N	-1	0	298.390	2.758	20	30		CFEDRM
CCC(CC)(CNc1cc(C#N)nc2ccccc21)C(=O)[O-]	ZINC000591687112	349038572	/nfs/dbraw/zinc/03/85/72/349038572.db2.gz	JUHHYPXHAQKSCA-UHFFFAOYSA-N	-1	0	297.358	2.831	20	30		CFEDRM
C[C@@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000592420602	349117796	/nfs/dbraw/zinc/11/77/96/349117796.db2.gz	FUORWYHHFGEOGH-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@]1(C#N)CCCN(c2ncc(C(=O)[O-])cc2Cl)C1	ZINC000592427362	349118945	/nfs/dbraw/zinc/11/89/45/349118945.db2.gz	RZVUVXFRHIYPIO-CYBMUJFWSA-N	-1	0	279.727	2.563	20	30		CFEDRM
N#CCCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000594468009	349427593	/nfs/dbraw/zinc/42/75/93/349427593.db2.gz	WOYOLYNBKKOGDH-CYBMUJFWSA-N	-1	0	286.331	2.675	20	30		CFEDRM
N#CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000597906445	350154486	/nfs/dbraw/zinc/15/44/86/350154486.db2.gz	OFRHDAVANIAPAX-VIFPVBQESA-N	-1	0	296.729	2.951	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1	ZINC000598139173	350209408	/nfs/dbraw/zinc/20/94/08/350209408.db2.gz	XRBULJDDWYTRPB-ZETCQYMHSA-N	-1	0	282.702	2.701	20	30		CFEDRM
C=CCC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1	ZINC000598297573	350228271	/nfs/dbraw/zinc/22/82/71/350228271.db2.gz	XNMIGXIDEVVZBI-UHFFFAOYSA-N	-1	0	290.319	2.919	20	30		CFEDRM
CCN(C(=O)c1cccc(Br)c1[O-])[C@H](C)C#N	ZINC000598359166	350247807	/nfs/dbraw/zinc/24/78/07/350247807.db2.gz	SHYXJFFVTJRFLG-MRVPVSSYSA-N	-1	0	297.152	2.529	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000598523067	350279980	/nfs/dbraw/zinc/27/99/80/350279980.db2.gz	YKORSBZHERZXST-UHFFFAOYSA-N	-1	0	278.308	2.775	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21	ZINC000598734676	350323487	/nfs/dbraw/zinc/32/34/87/350323487.db2.gz	JSLWFAOHWPBJGK-IMRBUKKESA-N	-1	0	298.390	2.736	20	30		CFEDRM
N#C[C@@H](Sc1n[n-]c(=NCc2ccco2)s1)C1CC1	ZINC000601073927	350659216	/nfs/dbraw/zinc/65/92/16/350659216.db2.gz	IDAMFCFDWHLTKL-SNVBAGLBSA-N	-1	0	292.389	2.559	20	30		CFEDRM
Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1CCC#N	ZINC000601948985	350816156	/nfs/dbraw/zinc/81/61/56/350816156.db2.gz	IEKPVWJZKAIOGK-IAQYHMDHSA-N	-1	0	285.322	2.951	20	30		CFEDRM
C[C@H]1OCC[C@@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000601923081	350802914	/nfs/dbraw/zinc/80/29/14/350802914.db2.gz	OJXUWZBJYZGFKZ-VXGBXAGGSA-N	-1	0	291.395	2.767	20	30		CFEDRM
Cc1[n-]n(CCCc2ccccc2)c(=O)c1CCC#N	ZINC000601938712	350810297	/nfs/dbraw/zinc/81/02/97/350810297.db2.gz	ISKCUNPVUHRECZ-HNNXBMFYSA-N	-1	0	269.348	2.757	20	30		CFEDRM
Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1CCC#N	ZINC000601938255	350810537	/nfs/dbraw/zinc/81/05/37/350810537.db2.gz	FBAUHMICZJABJP-ZDUSSCGKSA-N	-1	0	275.739	2.978	20	30		CFEDRM
Cc1[n-]n(CCCOc2ccccc2)c(=O)c1CCC#N	ZINC000601940846	350810908	/nfs/dbraw/zinc/81/09/08/350810908.db2.gz	TWDJKASYUQGMRY-OAHLLOKOSA-N	-1	0	285.347	2.594	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000602007421	350828700	/nfs/dbraw/zinc/82/87/00/350828700.db2.gz	OJOBXWNKCUVKDA-XQHKEYJVSA-N	-1	0	299.436	2.832	20	30		CFEDRM
CCc1ccccc1-n1[n-]c(C)c(CCC#N)c1=O	ZINC000603921608	351192218	/nfs/dbraw/zinc/19/22/18/351192218.db2.gz	ZDNNQQWTJLXXCQ-CYBMUJFWSA-N	-1	0	255.321	2.891	20	30		CFEDRM
CCC(CC)c1n[n-]c(=NC(=O)c2ccc(C#N)o2)s1	ZINC000432413537	535160750	/nfs/dbraw/zinc/16/07/50/535160750.db2.gz	HJAHKMXYUPCMNP-UHFFFAOYSA-N	-1	0	290.348	2.581	20	30		CFEDRM
C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(C#N)c1	ZINC000610334900	351555188	/nfs/dbraw/zinc/55/51/88/351555188.db2.gz	CFZCGDYBNWCPSL-NSHDSACASA-N	-1	0	288.347	2.626	20	30		CFEDRM
N#Cc1cnc(C(=O)Nc2c([O-])cccc2F)c(Cl)c1	ZINC000610891528	351619070	/nfs/dbraw/zinc/61/90/70/351619070.db2.gz	RZYMNAJVUGSWCX-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000612397416	351814208	/nfs/dbraw/zinc/81/42/08/351814208.db2.gz	MZRFKIRTQBGSJL-CQSZACIVSA-N	-1	0	296.729	2.951	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(Cl)ccc1C#N	ZINC000291871708	198091644	/nfs/dbraw/zinc/09/16/44/198091644.db2.gz	LLRZJSMDKSZYJR-UHFFFAOYSA-N	-1	0	284.768	2.920	20	30		CFEDRM
CC(C)C[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1	ZINC000614370615	352086071	/nfs/dbraw/zinc/08/60/71/352086071.db2.gz	XGPBVJOVTAPEEC-GFCCVEGCSA-N	-1	0	272.348	2.772	20	30		CFEDRM
C=CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](C)COC	ZINC000617576640	352593986	/nfs/dbraw/zinc/59/39/86/352593986.db2.gz	YNCLVNKZIZJZSH-SNVBAGLBSA-N	-1	0	283.755	2.709	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000573880088	334973996	/nfs/dbraw/zinc/97/39/96/334973996.db2.gz	ZJDCPMRTKWKOIZ-ZYHUDNBSSA-N	-1	0	296.392	2.918	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1Cl	ZINC000619747226	353062935	/nfs/dbraw/zinc/06/29/35/353062935.db2.gz	MHRFDXSOINSHLV-UHFFFAOYSA-N	-1	0	290.779	2.975	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000621538073	353376202	/nfs/dbraw/zinc/37/62/02/353376202.db2.gz	FIKHNDOIMBIRCA-STQMWFEESA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000621558331	353378958	/nfs/dbraw/zinc/37/89/58/353378958.db2.gz	CLQHGPJFLMSSLN-LLVKDONJSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000626765723	354320279	/nfs/dbraw/zinc/32/02/79/354320279.db2.gz	KIOBPOFYKCMPJF-UHFFFAOYSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000626773049	354321473	/nfs/dbraw/zinc/32/14/73/354321473.db2.gz	MQBIIHUWMSITDK-KGLIPLIRSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000630228626	355030281	/nfs/dbraw/zinc/03/02/81/355030281.db2.gz	CMYJRYHWJJSUSU-VXGBXAGGSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000630229624	355031112	/nfs/dbraw/zinc/03/11/12/355031112.db2.gz	ULDAAMZWPPQNNT-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000630280998	355037162	/nfs/dbraw/zinc/03/71/62/355037162.db2.gz	AYTLYKPMPSECIT-KKUMJFAQSA-N	-1	0	291.391	2.857	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000630281003	355037297	/nfs/dbraw/zinc/03/72/97/355037297.db2.gz	AYTLYKPMPSECIT-SOUVJXGZSA-N	-1	0	291.391	2.857	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630180512	355023724	/nfs/dbraw/zinc/02/37/24/355023724.db2.gz	BQRAYHZEJWOTMK-SNVBAGLBSA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cncc(C(=O)[O-])c1	ZINC000630203724	355027868	/nfs/dbraw/zinc/02/78/68/355027868.db2.gz	DLIOLTQQDONCDC-SMDDNHRTSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000630302529	355046824	/nfs/dbraw/zinc/04/68/24/355046824.db2.gz	XNNCJRJNDMNGSJ-HNNXBMFYSA-N	-1	0	287.359	2.885	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])cn1	ZINC000630314359	355048474	/nfs/dbraw/zinc/04/84/74/355048474.db2.gz	QYIZMUXYDYFKIJ-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-]	ZINC000630318894	355049628	/nfs/dbraw/zinc/04/96/28/355049628.db2.gz	OILSBPDTIFHRHL-LBPRGKRZSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(F)c(SC)c1)C(=O)[O-]	ZINC000630319552	355049995	/nfs/dbraw/zinc/04/99/95/355049995.db2.gz	CIXSNXGQKOANSM-LLVKDONJSA-N	-1	0	297.351	2.697	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000630319998	355050087	/nfs/dbraw/zinc/05/00/87/355050087.db2.gz	MSLPAWHFZSQLKZ-LLVKDONJSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000630319446	355050133	/nfs/dbraw/zinc/05/01/33/355050133.db2.gz	AVDLMUVZFSFPKG-AWEZNQCLSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000630319263	355050229	/nfs/dbraw/zinc/05/02/29/355050229.db2.gz	WZDOCHPYKGITCD-OAHLLOKOSA-N	-1	0	287.359	2.715	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000630320514	355050726	/nfs/dbraw/zinc/05/07/26/355050726.db2.gz	YRBWFYFUKTXQQK-LLVKDONJSA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630320748	355050943	/nfs/dbraw/zinc/05/09/43/355050943.db2.gz	BEZFMZFJXVTGEQ-UKRRQHHQSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000630325795	355052386	/nfs/dbraw/zinc/05/23/86/355052386.db2.gz	LUPNSIRBWNWDKV-DGCLKSJQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000630326429	355052534	/nfs/dbraw/zinc/05/25/34/355052534.db2.gz	PYFKKABWMLCFNE-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000630327029	355053182	/nfs/dbraw/zinc/05/31/82/355053182.db2.gz	VGECDEYETLZWCG-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(CC)c1)C(=O)[O-]	ZINC000630544864	355107495	/nfs/dbraw/zinc/10/74/95/355107495.db2.gz	JLFMZRZPKLNEJE-ZDUSSCGKSA-N	-1	0	276.336	2.790	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630546574	355108220	/nfs/dbraw/zinc/10/82/20/355108220.db2.gz	XNEVMXXMAOIIHM-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC000630545364	355108316	/nfs/dbraw/zinc/10/83/16/355108316.db2.gz	MJWBBJIAZQVSMK-LBPRGKRZSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)cc1	ZINC000630961440	355231669	/nfs/dbraw/zinc/23/16/69/355231669.db2.gz	XZRQIADBMHQWKC-BXUZGUMPSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(C(C)(C)OC)[n-]s2)CCC1	ZINC000634149001	356100135	/nfs/dbraw/zinc/10/01/35/356100135.db2.gz	IGQHIOPDXLQLFP-UHFFFAOYSA-N	-1	0	295.408	2.526	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1	ZINC000683307491	540750673	/nfs/dbraw/zinc/75/06/73/540750673.db2.gz	KLSFHFCAQQRWOU-WFASDCNBSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167124358	540968044	/nfs/dbraw/zinc/96/80/44/540968044.db2.gz	WNQINBFPNDQQER-LBPRGKRZSA-N	-1	0	259.305	2.558	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000666104125	540989263	/nfs/dbraw/zinc/98/92/63/540989263.db2.gz	DDPJSHMALYFZOF-AWEZNQCLSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000393739215	541019256	/nfs/dbraw/zinc/01/92/56/541019256.db2.gz	SWQVVFNQAAGPCS-QWHCGFSZSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCCCNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000312346049	541032501	/nfs/dbraw/zinc/03/25/01/541032501.db2.gz	WXCPZXBIJYFDGW-UHFFFAOYSA-N	-1	0	276.336	2.540	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000192873049	189631147	/nfs/dbraw/zinc/63/11/47/189631147.db2.gz	BNUDOEOVAKUCHR-SNVBAGLBSA-N	-1	0	279.336	2.847	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C/c1ccncc1	ZINC000447357149	241371641	/nfs/dbraw/zinc/37/16/41/241371641.db2.gz	WXCCGXTVIMWWGF-ZPUQHVIOSA-N	-1	0	277.283	2.773	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(F)c([O-])c2)c1	ZINC001243052519	781959627	/nfs/dbraw/zinc/95/96/27/781959627.db2.gz	YVLWHMDCCXGMHK-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)[N-]OCc1ccc(F)cc1	ZINC000276318093	193285157	/nfs/dbraw/zinc/28/51/57/193285157.db2.gz	WMGAUWHOQIJXHU-OAHLLOKOSA-N	-1	0	281.327	2.602	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)n1	ZINC000041520578	372845211	/nfs/dbraw/zinc/84/52/11/372845211.db2.gz	IOEVZIHWOMVBAP-LLVKDONJSA-N	-1	0	287.300	2.850	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000042448246	372924229	/nfs/dbraw/zinc/92/42/29/372924229.db2.gz	BSOBSGBDGGLAMX-SECBINFHSA-N	-1	0	266.728	2.667	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)c(C)c1	ZINC000046929922	373069605	/nfs/dbraw/zinc/06/96/05/373069605.db2.gz	BNAOVZJLSVCIKQ-UHFFFAOYSA-N	-1	0	255.339	2.605	20	30		CFEDRM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1	ZINC000048813219	373224508	/nfs/dbraw/zinc/22/45/08/373224508.db2.gz	ZQRIYUPAERBHPN-JTQLQIEISA-N	-1	0	293.330	2.899	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519149	373194502	/nfs/dbraw/zinc/19/45/02/373194502.db2.gz	VHLMRFRHPLGBAD-UHFFFAOYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CCON=C([O-])[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O	ZINC000049346394	373287910	/nfs/dbraw/zinc/28/79/10/373287910.db2.gz	IWUTYEQFGXBMKI-ZDUSSCGKSA-N	-1	0	276.336	2.564	20	30		CFEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1cccs1	ZINC000049514160	373306853	/nfs/dbraw/zinc/30/68/53/373306853.db2.gz	MIUZOMGLWBNSCO-UHFFFAOYSA-N	-1	0	287.406	2.963	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](C)c2cc3ccccc3o2)c1C#N	ZINC000431686939	383690577	/nfs/dbraw/zinc/69/05/77/383690577.db2.gz	UUKSMVPUARTRHN-SECBINFHSA-N	-1	0	294.314	2.500	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000094703227	375374978	/nfs/dbraw/zinc/37/49/78/375374978.db2.gz	NXNQIDVNQSGRKZ-LLVKDONJSA-N	-1	0	264.300	2.856	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000262269504	190051489	/nfs/dbraw/zinc/05/14/89/190051489.db2.gz	XUNBXRJHNOGFDQ-UHFFFAOYSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000263144993	190066491	/nfs/dbraw/zinc/06/64/91/190066491.db2.gz	UMIKBRKEXDIWNW-GFCCVEGCSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=CCC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CCC1	ZINC000263223543	190067138	/nfs/dbraw/zinc/06/71/38/190067138.db2.gz	ZLEYHGUYYCTZLL-AWEZNQCLSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000263290798	190067874	/nfs/dbraw/zinc/06/78/74/190067874.db2.gz	QYAGXDUIACAWAM-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C#CC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000262695279	190061031	/nfs/dbraw/zinc/06/10/31/190061031.db2.gz	GAQKXQCJYZPYBM-GPANFISMSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000125006728	377108215	/nfs/dbraw/zinc/10/82/15/377108215.db2.gz	YTIAVLOEHAOQLU-UHFFFAOYSA-N	-1	0	285.347	2.616	20	30		CFEDRM
CCCc1nc(=NC(=O)NC[C@H]2CC=CCC2)s[n-]1	ZINC000330487478	378569906	/nfs/dbraw/zinc/56/99/06/378569906.db2.gz	HHUKYQPQWXCZSJ-JTQLQIEISA-N	-1	0	280.397	2.595	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(C(C)(C)C)o2)ccc1C#N	ZINC000331333406	378672150	/nfs/dbraw/zinc/67/21/50/378672150.db2.gz	IXQDZQOIMNVYKM-UHFFFAOYSA-N	-1	0	270.336	2.581	20	30		CFEDRM
C=CCN(C(=O)CC1(CC(=O)[O-])CCCCC1)C1CC1	ZINC000162185446	378899477	/nfs/dbraw/zinc/89/94/77/378899477.db2.gz	RTWPLAODJWYVGM-UHFFFAOYSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=CC[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000162530985	378916226	/nfs/dbraw/zinc/91/62/26/378916226.db2.gz	FTJHQDYPXABXSF-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(Cl)cc2Cl)c1C#N	ZINC000335280300	379019229	/nfs/dbraw/zinc/01/92/29/379019229.db2.gz	KVHXKQWDXODFQY-UHFFFAOYSA-N	-1	0	295.129	2.571	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2ccc(C)c(C)c2Cl)c1C#N	ZINC000334314696	379079020	/nfs/dbraw/zinc/07/90/20/379079020.db2.gz	MMSPHWMIUMOEHH-UHFFFAOYSA-N	-1	0	288.738	2.534	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOCC2CC2)c1[O-]	ZINC000264440086	383739332	/nfs/dbraw/zinc/73/93/32/383739332.db2.gz	AFXBWGDRZYAUHH-VIZOYTHASA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1	ZINC000179917218	380595473	/nfs/dbraw/zinc/59/54/73/380595473.db2.gz	RCRJHUVKCARPBA-NSHDSACASA-N	-1	0	292.298	2.725	20	30		CFEDRM
N#Cc1ccc(N[C@H](Cc2ccccc2)C(=O)[O-])c(F)c1	ZINC000347243069	381024522	/nfs/dbraw/zinc/02/45/22/381024522.db2.gz	TYBSIQCOOMDOKC-OAHLLOKOSA-N	-1	0	284.290	2.805	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1	ZINC000347423307	381141924	/nfs/dbraw/zinc/14/19/24/381141924.db2.gz	VBBOEIKEQZSDFD-AATRIKPKSA-N	-1	0	250.257	2.822	20	30		CFEDRM
CC(C)Cc1n[n-]c(=NCc2ccc(C#N)cc2F)s1	ZINC000347792163	381352428	/nfs/dbraw/zinc/35/24/28/381352428.db2.gz	FUCSZIHPMPHWII-UHFFFAOYSA-N	-1	0	290.367	2.781	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)o1	ZINC000342497782	381360869	/nfs/dbraw/zinc/36/08/69/381360869.db2.gz	WKYOFXOXKWRXCD-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
N#Cc1csc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000359724176	381579940	/nfs/dbraw/zinc/57/99/40/381579940.db2.gz	XAKOCOBQUFJZEK-DUXPYHPUSA-N	-1	0	281.296	2.755	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1coc2ccccc12	ZINC000359725984	381581525	/nfs/dbraw/zinc/58/15/25/381581525.db2.gz	PGBSCWIRRBQRFR-UHFFFAOYSA-N	-1	0	292.298	2.579	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000185602596	381676933	/nfs/dbraw/zinc/67/69/33/381676933.db2.gz	NAJOEZHQNOEIOC-JTQLQIEISA-N	-1	0	287.319	2.571	20	30		CFEDRM
CC(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1	ZINC000355634183	381790018	/nfs/dbraw/zinc/79/00/18/381790018.db2.gz	BJUOBRJWWVJDJT-LLVKDONJSA-N	-1	0	293.330	2.830	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1ncc(CCC)s1	ZINC000291795723	381772779	/nfs/dbraw/zinc/77/27/79/381772779.db2.gz	APZRDIJJMZJBPS-UHFFFAOYSA-N	-1	0	274.411	2.804	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1C	ZINC000361530571	381839896	/nfs/dbraw/zinc/83/98/96/381839896.db2.gz	ZBAFSOIEIGAMRK-CQSZACIVSA-N	-1	0	290.326	2.767	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)c(F)c1	ZINC000357180402	382043082	/nfs/dbraw/zinc/04/30/82/382043082.db2.gz	CMGCECDTTFSBNC-UHFFFAOYSA-N	-1	0	294.289	2.781	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc(OCC(=O)[O-])cc1	ZINC000352020022	382134409	/nfs/dbraw/zinc/13/44/09/382134409.db2.gz	FPWDWCUDIVKKIK-VMPITWQZSA-N	-1	0	280.283	2.587	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1	ZINC000362699656	382204786	/nfs/dbraw/zinc/20/47/86/382204786.db2.gz	QDVSFWVPPOOWLR-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
C=CCCCCNC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000352324795	382274808	/nfs/dbraw/zinc/27/48/08/382274808.db2.gz	ZWYVQLBUBVVPIT-UHFFFAOYSA-N	-1	0	282.413	2.636	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000346033942	382328194	/nfs/dbraw/zinc/32/81/94/382328194.db2.gz	YTUCVXAOBOLCGA-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345367353	382300241	/nfs/dbraw/zinc/30/02/41/382300241.db2.gz	DPNXLGFVGMJBCH-JTQLQIEISA-N	-1	0	280.287	2.658	20	30		CFEDRM
CC[C@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000188425826	382412939	/nfs/dbraw/zinc/41/29/39/382412939.db2.gz	SZWQBBDGHLOXFT-LBPRGKRZSA-N	-1	0	272.348	2.916	20	30		CFEDRM
COc1cccc2cc(C([O-])=C(C#N)c3ccncn3)oc21	ZINC000680617257	542343300	/nfs/dbraw/zinc/34/33/00/542343300.db2.gz	LGDGFVRYRULOHE-NSHDSACASA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CC(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000395364513	382630327	/nfs/dbraw/zinc/63/03/27/382630327.db2.gz	KKCQVHRVMRYYFJ-UHFFFAOYSA-N	-1	0	253.729	2.988	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000190549029	382672941	/nfs/dbraw/zinc/67/29/41/382672941.db2.gz	BJHJRKYXLPSTSB-ZFWWWQNUSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)c1ccccc1	ZINC000190819051	382681197	/nfs/dbraw/zinc/68/11/97/382681197.db2.gz	ZZMHDLJQRLDHCM-IOASZLSFSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000398194161	382635488	/nfs/dbraw/zinc/63/54/88/382635488.db2.gz	BXXXHSQTAZPIEE-CHWSQXEVSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C[C@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1C(=O)[O-]	ZINC000575802126	382799607	/nfs/dbraw/zinc/79/96/07/382799607.db2.gz	DOHLNNZFIVROMG-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)cc2n[nH]cc21	ZINC000442669669	382942382	/nfs/dbraw/zinc/94/23/82/382942382.db2.gz	HEGPEKPRQUHRLJ-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2scnc2C2CC2)cc1[O-]	ZINC000442673269	382944865	/nfs/dbraw/zinc/94/48/65/382944865.db2.gz	SVUKJANVYZNARY-UHFFFAOYSA-N	-1	0	285.328	2.850	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1cccc(Br)c1[O-]	ZINC000538741398	382960398	/nfs/dbraw/zinc/96/03/98/382960398.db2.gz	XIMURWBMKZOJBM-MRVPVSSYSA-N	-1	0	297.152	2.577	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc(C)c2)n1	ZINC000448541626	383063874	/nfs/dbraw/zinc/06/38/74/383063874.db2.gz	GKHIGBCRANILIP-LLVKDONJSA-N	-1	0	257.318	2.645	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000448995915	383126047	/nfs/dbraw/zinc/12/60/47/383126047.db2.gz	RHIWYVPJPMTQGJ-OCCSQVGLSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CCCCCCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000565223853	383177536	/nfs/dbraw/zinc/17/75/36/383177536.db2.gz	BEMVWYWQXCZDJS-UHFFFAOYSA-N	-1	0	275.348	2.790	20	30		CFEDRM
N#CC(=C([O-])c1ocnc1C1CC1)c1nc2ccccc2[nH]1	ZINC000565268644	383177838	/nfs/dbraw/zinc/17/78/38/383177838.db2.gz	DLBXNAIZZZLBNF-JTQLQIEISA-N	-1	0	292.298	2.918	20	30		CFEDRM
CC(C)C[C@H](CNc1c(C#N)cccc1C#N)C(=O)[O-]	ZINC000424373999	383204835	/nfs/dbraw/zinc/20/48/35/383204835.db2.gz	KNDDMUOJFRZBMF-CYBMUJFWSA-N	-1	0	271.320	2.589	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1nc(-c2ccccc2)o[n-]1	ZINC000555855617	383150062	/nfs/dbraw/zinc/15/00/62/383150062.db2.gz	WFVOOXACYHVANW-KBPBESRZSA-N	-1	0	285.347	2.552	20	30		CFEDRM
C=CCCC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1	ZINC000557086648	383153664	/nfs/dbraw/zinc/15/36/64/383153664.db2.gz	ATDDSRDFDHCGEB-UHFFFAOYSA-N	-1	0	298.346	2.862	20	30		CFEDRM
C=CCOCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC000563817024	383168067	/nfs/dbraw/zinc/16/80/67/383168067.db2.gz	VJNRDRXKROVMGO-UHFFFAOYSA-N	-1	0	275.348	2.730	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]c(C2CCC2)no1	ZINC000450334687	383391277	/nfs/dbraw/zinc/39/12/77/383391277.db2.gz	IXOOYJJJHAGSMH-UHFFFAOYSA-N	-1	0	285.347	2.936	20	30		CFEDRM
C=CCN(C(=O)[C@](C)(CC(=O)[O-])c1ccsc1)C1CC1	ZINC000634910434	383399789	/nfs/dbraw/zinc/39/97/89/383399789.db2.gz	BFUBOKRMHGWCQQ-OAHLLOKOSA-N	-1	0	293.388	2.658	20	30		CFEDRM
N#C[C@@H]1CC[C@H](N=c2[n-]nc(-c3ccccc3)s2)C1	ZINC000425271214	383354989	/nfs/dbraw/zinc/35/49/89/383354989.db2.gz	HSPXBQPWYYQCJJ-PWSUYJOCSA-N	-1	0	270.361	2.731	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634941395	383413389	/nfs/dbraw/zinc/41/33/89/383413389.db2.gz	BFUJJMFNGBIYAA-KBPBESRZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(CC)CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634840785	383376796	/nfs/dbraw/zinc/37/67/96/383376796.db2.gz	VLLVXYIUEKEBSB-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCCNC(=O)[C@@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634845277	383377960	/nfs/dbraw/zinc/37/79/60/383377960.db2.gz	FEGXMUUSRUFQGK-KRWDZBQOSA-N	-1	0	289.375	2.810	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634847945	383379879	/nfs/dbraw/zinc/37/98/79/383379879.db2.gz	RJNKBQACCZHCMC-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)CC1(C(=O)[O-])CCCC1	ZINC000634870678	383388087	/nfs/dbraw/zinc/38/80/87/383388087.db2.gz	QHDJOKQELPBCBV-UHFFFAOYSA-N	-1	0	293.285	2.598	20	30		CFEDRM
CCN=c1[n-]nc(S[C@H](C#N)c2ccccc2)s1	ZINC000568663833	383424958	/nfs/dbraw/zinc/42/49/58/383424958.db2.gz	DFONSRFPQKLBMH-SNVBAGLBSA-N	-1	0	276.390	2.749	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(F)c1	ZINC000340589770	383481127	/nfs/dbraw/zinc/48/11/27/383481127.db2.gz	KSPSZOCEIGNACT-ARJAWSKDSA-N	-1	0	268.247	2.961	20	30		CFEDRM
CC(C)(CCC#N)CN=c1nc(-c2ccccc2)o[n-]1	ZINC000340931844	383507106	/nfs/dbraw/zinc/50/71/06/383507106.db2.gz	DCXYAHTZBMVNOM-UHFFFAOYSA-N	-1	0	270.336	2.900	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)o1	ZINC000340976285	383515976	/nfs/dbraw/zinc/51/59/76/383515976.db2.gz	NFUPZSDJKRXKBC-UHFFFAOYSA-N	-1	0	288.284	2.698	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000429598688	383553307	/nfs/dbraw/zinc/55/33/07/383553307.db2.gz	QEZHOGSOAYSZRW-SECBINFHSA-N	-1	0	297.343	2.521	20	30		CFEDRM
Cc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1C#N	ZINC000572321671	383773112	/nfs/dbraw/zinc/77/31/12/383773112.db2.gz	BXUGUAFSFJRAAW-HWKANZROSA-N	-1	0	265.272	2.525	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1[n-]c(-c2ccc(C)cc2)no1	ZINC000435583079	383776398	/nfs/dbraw/zinc/77/63/98/383776398.db2.gz	HVIIHZUWUDYUJQ-HUUCEWRRSA-N	-1	0	299.374	2.860	20	30		CFEDRM
N#Cc1ccnc(SCc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000436473174	383820912	/nfs/dbraw/zinc/82/09/12/383820912.db2.gz	FJKVUFYZXCLFLQ-UHFFFAOYSA-N	-1	0	287.300	2.859	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1	ZINC000436981972	383900773	/nfs/dbraw/zinc/90/07/73/383900773.db2.gz	RZNJXXGYRNVNPK-QMMMGPOBSA-N	-1	0	296.729	2.949	20	30		CFEDRM
CC(C)c1nc(=NCc2ccc(C#N)s2)s[n-]1	ZINC000573673222	383970999	/nfs/dbraw/zinc/97/09/99/383970999.db2.gz	AZMAJIMMVCFUCR-UHFFFAOYSA-N	-1	0	264.379	2.629	20	30		CFEDRM
C=CCn1c(SCc2ccc(SC)cc2)n[n-]c1=N	ZINC000641980717	384396175	/nfs/dbraw/zinc/39/61/75/384396175.db2.gz	WAIYBMHYKLZMMO-UHFFFAOYSA-N	-1	0	292.433	2.891	20	30		CFEDRM
CO[C@@H]1[C@H](C)[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000271779659	385391723	/nfs/dbraw/zinc/39/17/23/385391723.db2.gz	GQWSYKQBXGZSFH-XKTWOWLGSA-N	-1	0	292.335	2.779	20	30		CFEDRM
C=CCCCCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000274715895	385856315	/nfs/dbraw/zinc/85/63/15/385856315.db2.gz	RHTHIGPDUYFTEY-UHFFFAOYSA-N	-1	0	273.254	2.896	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1CC	ZINC000575067580	335061483	/nfs/dbraw/zinc/06/14/83/335061483.db2.gz	FITNNKYEGADUGD-UHFFFAOYSA-N	-1	0	297.376	2.655	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@@H](C)[C@H](C)C2)[n-]1	ZINC000410539955	393629020	/nfs/dbraw/zinc/62/90/20/393629020.db2.gz	LBUODHOHARCRKG-UPJWGTAASA-N	-1	0	288.395	2.768	20	30		CFEDRM
CC[C@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410541864	393629389	/nfs/dbraw/zinc/62/93/89/393629389.db2.gz	PGZWHVYQSFCMPB-AAEUAGOBSA-N	-1	0	274.368	2.522	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000192858962	393633840	/nfs/dbraw/zinc/63/38/40/393633840.db2.gz	UWCBGWHSLCPPCW-IUODEOHRSA-N	-1	0	287.359	2.627	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000074932502	393667320	/nfs/dbraw/zinc/66/73/20/393667320.db2.gz	FZMFVSYPWJARMG-UHFFFAOYSA-N	-1	0	290.319	2.639	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC1(C(=O)[O-])CCC(C)CC1	ZINC000236621778	393786126	/nfs/dbraw/zinc/78/61/26/393786126.db2.gz	PHSZAFJDMRVUHM-UHFFFAOYSA-N	-1	0	279.380	2.905	20	30		CFEDRM
C[C@H](CC#N)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093090629	393794507	/nfs/dbraw/zinc/79/45/07/393794507.db2.gz	IJTAPCCPVXRDRN-MRVPVSSYSA-N	-1	0	283.715	2.688	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(N[C@@H](C)CC(=O)[O-])c2c1	ZINC000416426244	393918448	/nfs/dbraw/zinc/91/84/48/393918448.db2.gz	LPZIVJPOHTZCRP-NSHDSACASA-N	-1	0	297.358	2.927	20	30		CFEDRM
N#Cc1nc(NC(=O)CC/C=C/c2ccccc2)[n-]c1C#N	ZINC000130399469	394110477	/nfs/dbraw/zinc/11/04/77/394110477.db2.gz	DLVLZIDUOATVQH-XBXARRHUSA-N	-1	0	291.314	2.585	20	30		CFEDRM
C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000289929332	394224529	/nfs/dbraw/zinc/22/45/29/394224529.db2.gz	VLDLITXNMUQZGT-JGVFFNPUSA-N	-1	0	276.163	2.897	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000685019789	542888453	/nfs/dbraw/zinc/88/84/53/542888453.db2.gz	XLBNCGBHQOQWBR-QWHCGFSZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000685019419	542888455	/nfs/dbraw/zinc/88/84/55/542888455.db2.gz	UNPXXSOBDUPSHI-GHMZBOCLSA-N	-1	0	281.377	2.982	20	30		CFEDRM
N#CC(=C([O-])c1cccnc1)c1nc(C2CC2)cs1	ZINC000647370896	395317832	/nfs/dbraw/zinc/31/78/32/395317832.db2.gz	FJYXMLHOZPSEHL-NSHDSACASA-N	-1	0	269.329	2.906	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc(C2CC2)cs1	ZINC000647379494	395320535	/nfs/dbraw/zinc/32/05/35/395320535.db2.gz	NPHOFSJDDCILSZ-MRVPVSSYSA-N	-1	0	275.358	2.967	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(F)c1	ZINC000356733323	155344415	/nfs/dbraw/zinc/34/44/15/155344415.db2.gz	KYQWSQNRHANIJC-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000653344067	413296433	/nfs/dbraw/zinc/29/64/33/413296433.db2.gz	MTIZBCWFMFCGBR-TZMCWYRMSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000653531537	413351105	/nfs/dbraw/zinc/35/11/05/413351105.db2.gz	ORZHWFIUQILCGZ-NWDGAFQWSA-N	-1	0	270.373	2.531	20	30		CFEDRM
N#Cc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1	ZINC000347416292	162684581	/nfs/dbraw/zinc/68/45/81/162684581.db2.gz	KPAMAEWVRZZDDM-PLNGDYQASA-N	-1	0	250.257	2.822	20	30		CFEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccoc2)nc2ccccc12	ZINC000351226082	163122888	/nfs/dbraw/zinc/12/28/88/163122888.db2.gz	RNXPWRWJABGPEI-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccsc2)cc1	ZINC000021991336	171346771	/nfs/dbraw/zinc/34/67/71/171346771.db2.gz	ULHURPGKLFONRX-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000652079499	413816860	/nfs/dbraw/zinc/81/68/60/413816860.db2.gz	HBLIYNOECOHJDF-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659227835	414473008	/nfs/dbraw/zinc/47/30/08/414473008.db2.gz	FFNNBLAKNCGHPT-RFQIPJPRSA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659154691	414457254	/nfs/dbraw/zinc/45/72/54/414457254.db2.gz	SZLLBKBWDBIAPS-VIFPVBQESA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])co1	ZINC000659165891	414459621	/nfs/dbraw/zinc/45/96/21/414459621.db2.gz	BBTBHEDVALMFPN-JQWIXIFHSA-N	-1	0	277.320	2.843	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])co1	ZINC000659165888	414459833	/nfs/dbraw/zinc/45/98/33/414459833.db2.gz	BBTBHEDVALMFPN-CMPLNLGQSA-N	-1	0	277.320	2.843	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000659230621	414474715	/nfs/dbraw/zinc/47/47/15/414474715.db2.gz	ULSNMVRKIHHSBP-AEGPPILISA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000659227974	414474755	/nfs/dbraw/zinc/47/47/55/414474755.db2.gz	HHZJTABKAABNNJ-TXEJJXNPSA-N	-1	0	289.306	2.847	20	30		CFEDRM
C=CCOC[C@H](NC(=O)CCC1CCCCCC1)C(=O)[O-]	ZINC000656244428	414549140	/nfs/dbraw/zinc/54/91/40/414549140.db2.gz	XQBJLABYQWTATL-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCCCCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000656246421	414549958	/nfs/dbraw/zinc/54/99/58/414549958.db2.gz	LHLIXFGDESYJEV-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659408646	414516863	/nfs/dbraw/zinc/51/68/63/414516863.db2.gz	UWDCVQIEHMHJMV-CHWSQXEVSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000659411250	414518802	/nfs/dbraw/zinc/51/88/02/414518802.db2.gz	MBARKECFBQAPRG-HZSPNIEDSA-N	-1	0	296.411	2.777	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1	ZINC000663127675	414654048	/nfs/dbraw/zinc/65/40/48/414654048.db2.gz	YRUDNURYOUCPID-XJKSGUPXSA-N	-1	0	277.364	2.612	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(C(F)(F)F)cc1C#N	ZINC000044619532	175219123	/nfs/dbraw/zinc/21/91/23/175219123.db2.gz	FNAXZNJSWFVTKC-JTQLQIEISA-N	-1	0	286.253	2.876	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\COc3ccccc3C2=O)ccc1O	ZINC000071329410	176124057	/nfs/dbraw/zinc/12/40/57/176124057.db2.gz	GJDXUAOZEIMSEJ-YRNVUSSQSA-N	-1	0	296.278	2.749	20	30		CFEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1	ZINC001243155779	782022468	/nfs/dbraw/zinc/02/24/68/782022468.db2.gz	PTIYTGPPAPPQMG-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1nccc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1	ZINC001243153980	782022903	/nfs/dbraw/zinc/02/29/03/782022903.db2.gz	VDIKPRWMTZPNEP-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(O)c(Cl)c1	ZINC000334650625	225256330	/nfs/dbraw/zinc/25/63/30/225256330.db2.gz	GBCVVOYTZRTSMF-JVXZTZIISA-N	-1	0	250.685	2.534	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(Cl)cccc2C#N)C1	ZINC000263265993	297216264	/nfs/dbraw/zinc/21/62/64/297216264.db2.gz	VKEBHLUZICRIEW-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1	ZINC000076910458	260166769	/nfs/dbraw/zinc/16/67/69/260166769.db2.gz	KVMDOARJWSAXSC-GHMZBOCLSA-N	-1	0	261.387	2.755	20	30		CFEDRM
CC(C)(C#N)c1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1	ZINC000078880712	260170159	/nfs/dbraw/zinc/17/01/59/260170159.db2.gz	OHTHULYLJSCUJD-UHFFFAOYSA-N	-1	0	288.347	2.927	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cncc(CC#N)c2)c1	ZINC001243177139	782037211	/nfs/dbraw/zinc/03/72/11/782037211.db2.gz	FNHGZYTXSUAOBP-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
CCc1ccccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000188115401	261848467	/nfs/dbraw/zinc/84/84/67/261848467.db2.gz	WOTOLKFOGCEAKD-UHFFFAOYSA-N	-1	0	286.356	2.921	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184375936	262018171	/nfs/dbraw/zinc/01/81/71/262018171.db2.gz	FLBVHKWRGODFCL-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CCCC2)c1	ZINC000272238557	263002945	/nfs/dbraw/zinc/00/29/45/263002945.db2.gz	MXFHBYRKTCWPNG-UHFFFAOYSA-N	-1	0	272.304	2.617	20	30		CFEDRM
C[C@@H]1COCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000277448876	263041360	/nfs/dbraw/zinc/04/13/60/263041360.db2.gz	QMGMYWKMDBBTOO-PTCHAJENSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1	ZINC000280890171	263064752	/nfs/dbraw/zinc/06/47/52/263064752.db2.gz	BSGGWJQNJMMVHY-CACBJEKCSA-N	-1	0	298.726	2.798	20	30		CFEDRM
N#CC1CCC(CNC(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000282139717	263074696	/nfs/dbraw/zinc/07/46/96/263074696.db2.gz	CAAIWXPRNDSACN-UHFFFAOYSA-N	-1	0	294.301	2.730	20	30		CFEDRM
CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)C(F)F)cc1	ZINC000290130162	263114711	/nfs/dbraw/zinc/11/47/11/263114711.db2.gz	GZTSFCBEYLXNBY-SNVBAGLBSA-N	-1	0	288.244	2.830	20	30		CFEDRM
C=CCN(CCC#N)Cc1cccc(Cl)c1[O-]	ZINC000292717145	263134173	/nfs/dbraw/zinc/13/41/73/263134173.db2.gz	DUOMLXYXNMSKPP-UHFFFAOYSA-N	-1	0	250.729	2.947	20	30		CFEDRM
C=CCOc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000341505256	263339921	/nfs/dbraw/zinc/33/99/21/263339921.db2.gz	GCQAWJINBAYVBN-LLVKDONJSA-N	-1	0	299.355	2.901	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(F)F)n2)n1	ZINC000341983197	263371121	/nfs/dbraw/zinc/37/11/21/263371121.db2.gz	FEMSBTKGZKNLRN-MRVPVSSYSA-N	-1	0	296.302	2.842	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OC(C)C	ZINC000416940001	263769295	/nfs/dbraw/zinc/76/92/95/263769295.db2.gz	IEDGPYQWLRKCHT-LLVKDONJSA-N	-1	0	282.365	2.518	20	30		CFEDRM
CC1(C)CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)O1	ZINC000331194931	264158513	/nfs/dbraw/zinc/15/85/13/264158513.db2.gz	RMGIALNWYWJXER-GFCCVEGCSA-N	-1	0	294.307	2.563	20	30		CFEDRM
C[C@H](O)C[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331250461	264181334	/nfs/dbraw/zinc/18/13/34/264181334.db2.gz	WOJWPVIFYXNUJU-BQBZGAKWSA-N	-1	0	275.707	2.649	20	30		CFEDRM
CCCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C)C2)s1	ZINC000331291691	264197006	/nfs/dbraw/zinc/19/70/06/264197006.db2.gz	PSTQVYAIOCFJKM-VHSXEESVSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccccc1	ZINC000190931014	264440798	/nfs/dbraw/zinc/44/07/98/264440798.db2.gz	OTUCORQNWJMXML-STQMWFEESA-N	-1	0	275.348	2.525	20	30		CFEDRM
N#CCN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094077262	265216032	/nfs/dbraw/zinc/21/60/32/265216032.db2.gz	JACZEVMLMBKBJA-UHFFFAOYSA-N	-1	0	299.717	2.688	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000518995617	265285296	/nfs/dbraw/zinc/28/52/96/265285296.db2.gz	CWYPFYYRPYDHRY-AWEZNQCLSA-N	-1	0	270.373	2.675	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCCC1=CCCCC1	ZINC000519311075	265392098	/nfs/dbraw/zinc/39/20/98/265392098.db2.gz	PSIMITUVDDNQIU-UHFFFAOYSA-N	-1	0	264.398	2.859	20	30		CFEDRM
C=CCN=c1[n-]nc(Sc2nc(CCC)ns2)s1	ZINC000359849844	266646133	/nfs/dbraw/zinc/64/61/33/266646133.db2.gz	YIPSKHBNFKHMIW-UHFFFAOYSA-N	-1	0	299.450	2.513	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)co1	ZINC000361519641	266838221	/nfs/dbraw/zinc/83/82/21/266838221.db2.gz	PAURMMOJOAVWPJ-SNVBAGLBSA-N	-1	0	292.298	2.670	20	30		CFEDRM
C=CCC1(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCC1	ZINC000362492500	266995018	/nfs/dbraw/zinc/99/50/18/266995018.db2.gz	MTOMZJPVXRTHPR-UHFFFAOYSA-N	-1	0	285.269	2.602	20	30		CFEDRM
C[C@H](Oc1cccc(/C=C/c2ccc(C#N)cn2)c1)C(=O)[O-]	ZINC000194596253	267201224	/nfs/dbraw/zinc/20/12/24/267201224.db2.gz	UZMVGOUOOXYNEB-PZBABLGHSA-N	-1	0	294.310	2.976	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2c(C)ccnc2C#N)c1	ZINC001243180583	782040567	/nfs/dbraw/zinc/04/05/67/782040567.db2.gz	CCOPTQUGHMXICW-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1C#N	ZINC000137192381	280786479	/nfs/dbraw/zinc/78/64/79/280786479.db2.gz	UVHXGBCJCFZNMW-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(Cl)cc1C#N	ZINC000052856125	289614492	/nfs/dbraw/zinc/61/44/92/289614492.db2.gz	QDYMDWMYDZKOPS-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
CC(C)[C@@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000562782299	290075536	/nfs/dbraw/zinc/07/55/36/290075536.db2.gz	UUPFWQMUHYSSMK-CQSZACIVSA-N	-1	0	269.304	2.628	20	30		CFEDRM
Cc1cc(Cl)cc(C#N)c1OCCCC(=O)[O-]	ZINC000568885071	290576090	/nfs/dbraw/zinc/57/60/90/290576090.db2.gz	VLIFUWVYPMPZEG-UHFFFAOYSA-N	-1	0	253.685	2.764	20	30		CFEDRM
COc1ccc(-c2ccc(C)c(C(=O)[O-])c2)nc1CC#N	ZINC001243196665	782057678	/nfs/dbraw/zinc/05/76/78/782057678.db2.gz	ZBVRSCYOXXZPOU-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](C(=O)[O-])C3)c2c1	ZINC000263536926	301213963	/nfs/dbraw/zinc/21/39/63/301213963.db2.gz	ZVDJGUGLWHHMFT-GFCCVEGCSA-N	-1	0	295.342	2.634	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]1C(=O)[O-]	ZINC000057377399	303180183	/nfs/dbraw/zinc/18/01/83/303180183.db2.gz	PMMTYDPHRMYJHM-NSHDSACASA-N	-1	0	284.237	2.630	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ncc(Cl)s1	ZINC000349048180	303189081	/nfs/dbraw/zinc/18/90/81/303189081.db2.gz	NYRFRVSVDWKYTB-ONEGZZNKSA-N	-1	0	291.719	2.932	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001243210424	782070346	/nfs/dbraw/zinc/07/03/46/782070346.db2.gz	HTSKARJHFFUBSM-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])s3)ccc2[nH]1	ZINC001240842983	782077137	/nfs/dbraw/zinc/07/71/37/782077137.db2.gz	AHLMCBKLKYQHJN-UHFFFAOYSA-N	-1	0	269.285	2.861	20	30		CFEDRM
N#CCc1ccnc(NC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000531673975	328022802	/nfs/dbraw/zinc/02/28/02/328022802.db2.gz	GWDJOHXAPRDFKN-UHFFFAOYSA-N	-1	0	287.706	2.759	20	30		CFEDRM
C=CCCCCC[N-]S(=O)(=O)[C@@H](C)C(F)(F)F	ZINC000571418067	328120600	/nfs/dbraw/zinc/12/06/00/328120600.db2.gz	ROCKTXUFBSEHMW-VIFPVBQESA-N	-1	0	273.320	2.603	20	30		CFEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000291932391	328267377	/nfs/dbraw/zinc/26/73/77/328267377.db2.gz	CEKFTTKAZMLZGB-CQSZACIVSA-N	-1	0	287.344	2.539	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)n1C1CCCCC1	ZINC000069539188	326902468	/nfs/dbraw/zinc/90/24/68/326902468.db2.gz	HUMUXFBNNAOPMD-UHFFFAOYSA-N	-1	0	298.408	2.874	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000569569994	327199180	/nfs/dbraw/zinc/19/91/80/327199180.db2.gz	BCAGRKFIFHVFKI-RISCZKNCSA-N	-1	0	289.331	2.613	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000172086859	329080915	/nfs/dbraw/zinc/08/09/15/329080915.db2.gz	ABUGURKBPSQHDS-NSHDSACASA-N	-1	0	280.287	2.534	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000103870278	329388355	/nfs/dbraw/zinc/38/83/55/329388355.db2.gz	ZYCYQHNLZIIZEF-CQSZACIVSA-N	-1	0	255.358	2.670	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC(CC)(CC)C(=O)[O-]	ZINC000398228805	329440382	/nfs/dbraw/zinc/44/03/82/329440382.db2.gz	RHSHIAUNDDGOLJ-LLVKDONJSA-N	-1	0	270.373	2.674	20	30		CFEDRM
C=CCCCCNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000261669438	329869051	/nfs/dbraw/zinc/86/90/51/329869051.db2.gz	FTWKRZVUZLRDFF-UHFFFAOYSA-N	-1	0	276.336	2.540	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000262865484	330035808	/nfs/dbraw/zinc/03/58/08/330035808.db2.gz	JDPBITUMOKPIJT-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000263011572	330038729	/nfs/dbraw/zinc/03/87/29/330038729.db2.gz	XGGFUHXGAUCFRO-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000263130622	330045023	/nfs/dbraw/zinc/04/50/23/330045023.db2.gz	XSMVKDKHJLEVPG-RISCZKNCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000263194634	330048478	/nfs/dbraw/zinc/04/84/78/330048478.db2.gz	JAMWKSHKXGLYKU-LSDHHAIUSA-N	-1	0	287.359	2.702	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C)n2)n1	ZINC000079639067	330050819	/nfs/dbraw/zinc/05/08/19/330050819.db2.gz	AUXJSNXHXJYQPF-SNVBAGLBSA-N	-1	0	257.318	2.645	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-]	ZINC000263278298	330051599	/nfs/dbraw/zinc/05/15/99/330051599.db2.gz	NWJITUWRLCKAKY-QWHCGFSZSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)NCCCC(=O)[O-])c1	ZINC000263498354	330057936	/nfs/dbraw/zinc/05/79/36/330057936.db2.gz	RYBIEBQPBILFPR-UHFFFAOYSA-N	-1	0	292.335	2.628	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-]	ZINC000263511067	330058089	/nfs/dbraw/zinc/05/80/89/330058089.db2.gz	CHRDWRQXCVUGRI-OAHLLOKOSA-N	-1	0	285.343	2.795	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000263507358	330058378	/nfs/dbraw/zinc/05/83/78/330058378.db2.gz	BLWKALZKUSXVEM-JHJVBQTASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000263547004	330059468	/nfs/dbraw/zinc/05/94/68/330059468.db2.gz	UNCTXFMMWOWMOH-LBPRGKRZSA-N	-1	0	279.336	2.861	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119736154	330377864	/nfs/dbraw/zinc/37/78/64/330377864.db2.gz	QJUYJDXAXRREMI-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000437520476	330701938	/nfs/dbraw/zinc/70/19/38/330701938.db2.gz	YKYBSWVIQPIOKO-BXUZGUMPSA-N	-1	0	295.766	2.757	20	30		CFEDRM
C=CCCCNC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000448001573	330882615	/nfs/dbraw/zinc/88/26/15/330882615.db2.gz	RGKGIKLLQCADHY-UHFFFAOYSA-N	-1	0	294.405	2.776	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1N=c1nc(-c2ccccc2)[n-]s1	ZINC000450801579	331000288	/nfs/dbraw/zinc/00/02/88/331000288.db2.gz	FDTJHFPSNGPIBX-OLZOCXBDSA-N	-1	0	287.388	2.773	20	30		CFEDRM
C=CCn1c(C)n[n-]c1=Nc1ccc(CC)c(OC)c1	ZINC000453457010	331132493	/nfs/dbraw/zinc/13/24/93/331132493.db2.gz	ZGUYRUNFGQXVQN-UHFFFAOYSA-N	-1	0	272.352	2.509	20	30		CFEDRM
C=C(C)CCNC(=O)N=c1nc(SCCC)[n-]s1	ZINC000454960164	331157704	/nfs/dbraw/zinc/15/77/04/331157704.db2.gz	LZCPBTGUSJQGQZ-UHFFFAOYSA-N	-1	0	286.426	2.550	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(F)c(F)c1[O-])OCC	ZINC000457286323	331218099	/nfs/dbraw/zinc/21/80/99/331218099.db2.gz	FCHJEEABBXYNDX-NSHDSACASA-N	-1	0	285.290	2.980	20	30		CFEDRM
CCc1cc(C(=O)NCC(C)(C)CC#N)ccc1O	ZINC000458046821	331241683	/nfs/dbraw/zinc/24/16/83/331241683.db2.gz	WAESQBSRTWRSST-UHFFFAOYSA-N	-1	0	260.337	2.624	20	30		CFEDRM
C=CCCCCNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000473672177	331555486	/nfs/dbraw/zinc/55/54/86/331555486.db2.gz	AOXXVMBPIDNHHQ-UHFFFAOYSA-N	-1	0	282.413	2.735	20	30		CFEDRM
C=CCCCC(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000479569546	331737975	/nfs/dbraw/zinc/73/79/75/331737975.db2.gz	MMTFVRWZOWFESS-UHFFFAOYSA-N	-1	0	273.361	2.922	20	30		CFEDRM
C#CCN(C(=O)c1c([O-])cccc1F)C1CCCCC1	ZINC000491041503	332142229	/nfs/dbraw/zinc/14/22/29/332142229.db2.gz	ZDMWROYQDDQVHV-UHFFFAOYSA-N	-1	0	275.323	2.939	20	30		CFEDRM
C#C[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1F	ZINC000491091936	332147653	/nfs/dbraw/zinc/14/76/53/332147653.db2.gz	AHCMYUIYQCACNK-VIFPVBQESA-N	-1	0	261.630	2.535	20	30		CFEDRM
C#C[C@H](N=c1nc(C2CC2)[n-]s1)c1ccc(F)cc1	ZINC000491672625	332279131	/nfs/dbraw/zinc/27/91/31/332279131.db2.gz	PSTUICQNZGQCJT-LBPRGKRZSA-N	-1	0	273.336	2.763	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F	ZINC000189802583	333199292	/nfs/dbraw/zinc/19/92/92/333199292.db2.gz	LILARHAFIPFHHO-SECBINFHSA-N	-1	0	287.347	2.849	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000316402150	333391340	/nfs/dbraw/zinc/39/13/40/333391340.db2.gz	WQVUGVFEHOQUDI-SECBINFHSA-N	-1	0	268.338	2.597	20	30		CFEDRM
CCCn1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000565669550	334586960	/nfs/dbraw/zinc/58/69/60/334586960.db2.gz	FZGLYLNTSQRCSN-LLVKDONJSA-N	-1	0	294.314	2.924	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)C(=O)[O-]	ZINC000567504572	334726604	/nfs/dbraw/zinc/72/66/04/334726604.db2.gz	UMATWKCRWUGNMW-IHRRRGAJSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)C(=O)[O-]	ZINC000567504574	334726692	/nfs/dbraw/zinc/72/66/92/334726692.db2.gz	UMATWKCRWUGNMW-MJBXVCDLSA-N	-1	0	279.380	2.738	20	30		CFEDRM
COc1cc(C#N)cnc1-c1ccc([O-])c(F)c1F	ZINC001243337789	782142802	/nfs/dbraw/zinc/14/28/02/782142802.db2.gz	COSREXOAAZCFSX-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)c(C#N)c1	ZINC001243342712	782147274	/nfs/dbraw/zinc/14/72/74/782147274.db2.gz	QNMHAYGGCAEHGT-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc([O-])c(F)c2F)n1	ZINC001243345348	782149748	/nfs/dbraw/zinc/14/97/48/782149748.db2.gz	PFJXZYGIZDMLPL-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1	ZINC000354482357	533839584	/nfs/dbraw/zinc/83/95/84/533839584.db2.gz	ZQXHDEYORGAXTP-NSHDSACASA-N	-1	0	287.706	2.629	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2sccc2Cl)[n-]1	ZINC000336468949	519932443	/nfs/dbraw/zinc/93/24/43/519932443.db2.gz	UXLDUVQNQGQWHU-UHFFFAOYSA-N	-1	0	294.767	2.725	20	30		CFEDRM
CCCCC[C@@H](CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000182510235	520289517	/nfs/dbraw/zinc/28/95/17/520289517.db2.gz	ZQQWAAXOXPQHRZ-SNVBAGLBSA-N	-1	0	273.340	2.698	20	30		CFEDRM
CCCCN(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000074345017	520470879	/nfs/dbraw/zinc/47/08/79/520470879.db2.gz	GVPQWINYUGDTQY-UHFFFAOYSA-N	-1	0	293.392	2.643	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCCCCCCC(=O)[O-]	ZINC000269114000	534565383	/nfs/dbraw/zinc/56/53/83/534565383.db2.gz	DVISLUGKONYUPU-UHFFFAOYSA-N	-1	0	267.369	2.906	20	30		CFEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000262971650	534620284	/nfs/dbraw/zinc/62/02/84/534620284.db2.gz	IUBVLDWXDKSXBD-CQSZACIVSA-N	-1	0	261.321	2.512	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000263493245	534673966	/nfs/dbraw/zinc/67/39/66/534673966.db2.gz	XIRZRLMVDOZWDY-YNEHKIRRSA-N	-1	0	275.348	2.572	20	30		CFEDRM
N#Cc1cc2c(nc1NC1CCC(C(=O)[O-])CC1)CCCC2	ZINC000261983778	526580549	/nfs/dbraw/zinc/58/05/49/526580549.db2.gz	RSUIRCPFYDJEAW-UHFFFAOYSA-N	-1	0	299.374	2.887	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)o1	ZINC000334255660	526683987	/nfs/dbraw/zinc/68/39/87/526683987.db2.gz	YSZBMXKZAGWTRL-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(CC(C)C)o2)cc1	ZINC000347867762	526875804	/nfs/dbraw/zinc/87/58/04/526875804.db2.gz	DHZHPDLUANHNAH-UHFFFAOYSA-N	-1	0	287.363	2.867	20	30		CFEDRM
Cc1sc(NC(=O)CC(C)(C)C(=O)[O-])c(C#N)c1C	ZINC000078880227	526879020	/nfs/dbraw/zinc/87/90/20/526879020.db2.gz	YUYLUAJMXPIKRV-UHFFFAOYSA-N	-1	0	280.349	2.676	20	30		CFEDRM
Cc1sc(NC(=O)C[C@H](C)CC(=O)[O-])c(C#N)c1C	ZINC000061834834	526882280	/nfs/dbraw/zinc/88/22/80/526882280.db2.gz	KNPAOVLDYCCKEH-ZETCQYMHSA-N	-1	0	280.349	2.676	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350640703	527265489	/nfs/dbraw/zinc/26/54/89/527265489.db2.gz	XOTDMFSDBWIRHO-ZJUUUORDSA-N	-1	0	298.412	2.534	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350640702	527288727	/nfs/dbraw/zinc/28/87/27/527288727.db2.gz	XOTDMFSDBWIRHO-VHSXEESVSA-N	-1	0	298.412	2.534	20	30		CFEDRM
CC(C)CC1(C(=O)NCCc2n[n-]c(=N)o2)CCCC1	ZINC000329126829	527682881	/nfs/dbraw/zinc/68/28/81/527682881.db2.gz	YRRNJHBKEWQWAM-UHFFFAOYSA-N	-1	0	280.372	2.588	20	30		CFEDRM
COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435337222	537074009	/nfs/dbraw/zinc/07/40/09/537074009.db2.gz	URFUWKHJOZYAOI-YFHOEESVSA-N	-1	0	281.315	2.519	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000935103290	649876066	/nfs/dbraw/zinc/87/60/66/649876066.db2.gz	NPOYOKBZDOWMRO-SECBINFHSA-N	-1	0	264.281	2.841	20	30		CFEDRM
N#CCCCCNC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738427532	574049312	/nfs/dbraw/zinc/04/93/12/574049312.db2.gz	CMNHBLQLRRFPDG-UHFFFAOYSA-N	-1	0	276.296	2.592	20	30		CFEDRM
Cc1cc(C)c(C#N)c(SCCCCC(=O)[O-])n1	ZINC000738217396	574049679	/nfs/dbraw/zinc/04/96/79/574049679.db2.gz	IOOGKRHSVQMSFS-UHFFFAOYSA-N	-1	0	264.350	2.917	20	30		CFEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000736772636	574071667	/nfs/dbraw/zinc/07/16/67/574071667.db2.gz	GSPOMHIGJXKBIZ-XPTSAGLGSA-N	-1	0	292.360	2.649	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(C)c(C)c1O	ZINC000728156579	574081823	/nfs/dbraw/zinc/08/18/23/574081823.db2.gz	JZDURUDANWBEPB-UHFFFAOYSA-N	-1	0	296.334	2.511	20	30		CFEDRM
CC/C=C(/C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736947744	574087351	/nfs/dbraw/zinc/08/73/51/574087351.db2.gz	DSTWCFSAEWQHRZ-JTMRULEUSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000738493210	574095222	/nfs/dbraw/zinc/09/52/22/574095222.db2.gz	LMXYGYAFLRXVGI-JTQLQIEISA-N	-1	0	278.308	2.696	20	30		CFEDRM
CCOc1cccc(/C=N\C2CCC(C(=O)[O-])CC2)c1O	ZINC000737210909	574118770	/nfs/dbraw/zinc/11/87/70/574118770.db2.gz	OXNKTOGXBQIADG-YVLHZVERSA-N	-1	0	291.347	2.853	20	30		CFEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)n1C	ZINC000754899369	574127526	/nfs/dbraw/zinc/12/75/26/574127526.db2.gz	ATUDIONYNXWFST-UHFFFAOYSA-N	-1	0	271.320	2.786	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)C1CC1	ZINC000756898974	574133374	/nfs/dbraw/zinc/13/33/74/574133374.db2.gz	KCLBOIUTSDXGLA-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1F	ZINC000737339914	574136426	/nfs/dbraw/zinc/13/64/26/574136426.db2.gz	DCOBVBRDLMZTOT-UHFFFAOYSA-N	-1	0	298.273	2.672	20	30		CFEDRM
CN(Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737494568	574144685	/nfs/dbraw/zinc/14/46/85/574144685.db2.gz	VMBLWEMUCYKJTH-CQSZACIVSA-N	-1	0	286.356	2.877	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NNc2ccccc2)c1)C(=O)[O-]	ZINC000746677462	574162162	/nfs/dbraw/zinc/16/21/62/574162162.db2.gz	XODMWHAPHQJBEB-GFCCVEGCSA-N	-1	0	284.315	2.985	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1nccs1	ZINC000732622001	574163010	/nfs/dbraw/zinc/16/30/10/574163010.db2.gz	NXTKWHAFFDXNQD-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc(O)c(F)c2)cc1	ZINC000755455629	574163205	/nfs/dbraw/zinc/16/32/05/574163205.db2.gz	PEQQBMGDSXDYGO-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2ccoc2C(=O)[O-])ccc1O	ZINC000738318454	574164477	/nfs/dbraw/zinc/16/44/77/574164477.db2.gz	JUZWMKXAFDDMFP-GORDUTHDSA-N	-1	0	272.256	2.888	20	30		CFEDRM
CCCC1CCC(C=Nn2c(=O)c(C)n[n-]c2=S)CC1	ZINC000755508496	574166376	/nfs/dbraw/zinc/16/63/76/574166376.db2.gz	NHCFFOPKUMLQRP-UHFFFAOYSA-N	-1	0	294.424	2.676	20	30		CFEDRM
C=CCN(C(=O)CC(C)(C)NC(=O)[O-])c1ccccc1	ZINC000738490729	574171641	/nfs/dbraw/zinc/17/16/41/574171641.db2.gz	XPIFYFGEAHOXAU-UHFFFAOYSA-N	-1	0	276.336	2.642	20	30		CFEDRM
CC(C)[C@H](C/N=C\c1cc(Cl)ccc1O)NC(=O)[O-]	ZINC000738773216	574183907	/nfs/dbraw/zinc/18/39/07/574183907.db2.gz	IURCUSZFSLOHKB-AQCBWYQMSA-N	-1	0	284.743	2.757	20	30		CFEDRM
CC(C)[C@H](CNc1cc(Cl)ccc1C#N)NC(=O)[O-]	ZINC000738787408	574184412	/nfs/dbraw/zinc/18/44/12/574184412.db2.gz	FKAWMCPSSGDOPT-LBPRGKRZSA-N	-1	0	281.743	2.916	20	30		CFEDRM
Cc1ncccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000738886880	574189467	/nfs/dbraw/zinc/18/94/67/574189467.db2.gz	HOZURIIRPJOTFM-RMKNXTFCSA-N	-1	0	297.310	2.750	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(C(=O)[O-])cc1	ZINC000755817506	574189676	/nfs/dbraw/zinc/18/96/76/574189676.db2.gz	LUZQFTIYQYBDDE-ZDUSSCGKSA-N	-1	0	263.293	2.652	20	30		CFEDRM
C[C@@H](NN=C1CCC[C@H]1CNC(=O)[O-])c1ccccc1	ZINC000739040577	574194559	/nfs/dbraw/zinc/19/45/59/574194559.db2.gz	UHYRNQKNGVHIOQ-YPMHNXCESA-N	-1	0	275.352	2.761	20	30		CFEDRM
Cc1ccnc(N=NCc2cccc(OCCC(=O)[O-])c2)c1	ZINC000755907135	574196675	/nfs/dbraw/zinc/19/66/75/574196675.db2.gz	VCIBBDMEDMKUNA-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
N#Cc1nc(N2Cc3ccc(C(=O)[O-])cc3C2)ccc1Cl	ZINC000739145095	574199456	/nfs/dbraw/zinc/19/94/56/574199456.db2.gz	GLWKUJDSFUYERE-UHFFFAOYSA-N	-1	0	299.717	2.825	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2cccc(O)c2)c1	ZINC000733206562	574211871	/nfs/dbraw/zinc/21/18/71/574211871.db2.gz	NRYUJGUBTNOVCH-BQYQJAHWSA-N	-1	0	298.294	2.752	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cccc3nccn32)cs1	ZINC000756257234	574219424	/nfs/dbraw/zinc/21/94/24/574219424.db2.gz	FCCHMYCRXFHBFQ-PLNGDYQASA-N	-1	0	298.323	2.990	20	30		CFEDRM
CN(C(=O)[O-])C1CCN(c2cc(Cl)ccc2C#N)CC1	ZINC000739593923	574220424	/nfs/dbraw/zinc/22/04/24/574220424.db2.gz	PPKYIWHYRIKXSU-UHFFFAOYSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CN(C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1)C(=O)[O-]	ZINC000739664972	574221929	/nfs/dbraw/zinc/22/19/29/574221929.db2.gz	VBKLZNWCRBHKQJ-JTQLQIEISA-N	-1	0	293.754	2.648	20	30		CFEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])n1cccc1	ZINC000748003450	574224397	/nfs/dbraw/zinc/22/43/97/574224397.db2.gz	VTQNRYIJVMJGHU-NSHDSACASA-N	-1	0	269.304	2.655	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cnn3ccccc23)s1	ZINC000729644177	574225719	/nfs/dbraw/zinc/22/57/19/574225719.db2.gz	RCGXMOVUHYZKMF-SNAWJCMRSA-N	-1	0	298.323	2.990	20	30		CFEDRM
COc1cccc(N=NC2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000739953746	574230172	/nfs/dbraw/zinc/23/01/72/574230172.db2.gz	UJJBJAHDDLTHJA-SNVBAGLBSA-N	-1	0	277.324	2.531	20	30		CFEDRM
COc1cccc(N=NC2CCC[C@H]2CNC(=O)[O-])c1	ZINC000739953745	574230356	/nfs/dbraw/zinc/23/03/56/574230356.db2.gz	UJJBJAHDDLTHJA-JTQLQIEISA-N	-1	0	277.324	2.531	20	30		CFEDRM
Cc1cccc(N=NC2CCC[C@H]2CNC(=O)[O-])c1	ZINC000740173809	574241669	/nfs/dbraw/zinc/24/16/69/574241669.db2.gz	XIIVQWAQJSSWMZ-NSHDSACASA-N	-1	0	261.325	2.831	20	30		CFEDRM
N#C[C@@H](C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1	ZINC000740304148	574245950	/nfs/dbraw/zinc/24/59/50/574245950.db2.gz	QXDUXIZMYBGJNT-SNVBAGLBSA-N	-1	0	299.261	2.801	20	30		CFEDRM
N#CCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1	ZINC000740305918	574246106	/nfs/dbraw/zinc/24/61/06/574246106.db2.gz	XEGBWKGUDYDNAK-UHFFFAOYSA-N	-1	0	293.710	2.558	20	30		CFEDRM
N#Cc1cnc(N[C@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1	ZINC000740321678	574246973	/nfs/dbraw/zinc/24/69/73/574246973.db2.gz	GKTSDEDZEJGZIH-JTQLQIEISA-N	-1	0	294.742	2.551	20	30		CFEDRM
N#Cc1nc(NC2CCC(NC(=O)[O-])CC2)ccc1Cl	ZINC000740323579	574247303	/nfs/dbraw/zinc/24/73/03/574247303.db2.gz	JOGCKRUFQRXUMW-UHFFFAOYSA-N	-1	0	294.742	2.597	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c1	ZINC000740320514	574247353	/nfs/dbraw/zinc/24/73/53/574247353.db2.gz	SPEXWCCJKQHWMZ-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
Cc1ccccc1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410444	574251338	/nfs/dbraw/zinc/25/13/38/574251338.db2.gz	KUDCSHIQVCRVDX-UHFFFAOYSA-N	-1	0	282.299	2.590	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC23CCCC3)c1	ZINC000748411188	574251393	/nfs/dbraw/zinc/25/13/93/574251393.db2.gz	LHJDKKCVNWSPHI-NSHDSACASA-N	-1	0	256.305	2.783	20	30		CFEDRM
O=C([O-])N[C@H](C/N=C/c1ccccc1O)c1ccccc1	ZINC000740541420	574254852	/nfs/dbraw/zinc/25/48/52/574254852.db2.gz	ZBLCPTIBLWJTDB-NGWPFTMJSA-N	-1	0	284.315	2.820	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCCCc2ccccc2)CC1	ZINC000740551177	574255186	/nfs/dbraw/zinc/25/51/86/574255186.db2.gz	NMBFWMBUIXPHGM-UHFFFAOYSA-N	-1	0	289.379	2.775	20	30		CFEDRM
COCCC(N=Nc1ccccc1C(=O)[O-])C(C)C	ZINC000756824654	574265754	/nfs/dbraw/zinc/26/57/54/574265754.db2.gz	WRGVCUJPYZGEKF-UHFFFAOYSA-N	-1	0	264.325	2.845	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000748780265	574266143	/nfs/dbraw/zinc/26/61/43/574266143.db2.gz	HOQTWEXZSIZVCQ-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)CC1CC1	ZINC000756899404	574271288	/nfs/dbraw/zinc/27/12/88/574271288.db2.gz	ZHUBGWTZZOZMGL-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccco1	ZINC000756905861	574272162	/nfs/dbraw/zinc/27/21/62/574272162.db2.gz	NODIYFDSNIDLKD-UHFFFAOYSA-N	-1	0	274.276	2.823	20	30		CFEDRM
CC(C)[C@@H](CNc1cc(C#N)c2ccccc2n1)NC(=O)[O-]	ZINC000738786617	574280486	/nfs/dbraw/zinc/28/04/86/574280486.db2.gz	ACSHKVHEVRUNJP-CQSZACIVSA-N	-1	0	298.346	2.811	20	30		CFEDRM
CC(C)[C@@H](CNc1c(F)cc(C#N)cc1F)NC(=O)[O-]	ZINC000738791400	574297808	/nfs/dbraw/zinc/29/78/08/574297808.db2.gz	VFNIYQXIWAUANM-LLVKDONJSA-N	-1	0	283.278	2.541	20	30		CFEDRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1C#N	ZINC000741758724	574301185	/nfs/dbraw/zinc/30/11/85/574301185.db2.gz	ARPPFEGSDCKMSQ-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
CC(=NNC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749607835	574301992	/nfs/dbraw/zinc/30/19/92/574301992.db2.gz	BYKWQAGJGGIFMY-UHFFFAOYSA-N	-1	0	263.297	2.557	20	30		CFEDRM
Cc1ccc([C@@H]2CCCC2N=Nc2nnc(C)c(=O)[n-]2)cc1	ZINC000741836026	574306185	/nfs/dbraw/zinc/30/61/85/574306185.db2.gz	ADTJXDAQVUMXAO-ZDUSSCGKSA-N	-1	0	297.362	2.930	20	30		CFEDRM
C#CCOc1ccccc1OCc1occc1C(=O)[O-]	ZINC000736086999	574350421	/nfs/dbraw/zinc/35/04/21/574350421.db2.gz	ASKOJQTXWZKQKI-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C=CCCSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736108167	574350429	/nfs/dbraw/zinc/35/04/29/574350429.db2.gz	MTAAUXNBWWRKLU-UHFFFAOYSA-N	-1	0	267.350	2.822	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000736102613	574350503	/nfs/dbraw/zinc/35/05/03/574350503.db2.gz	RYGWWTXGECHXDM-LBPRGKRZSA-N	-1	0	291.347	2.719	20	30		CFEDRM
C=C(Cl)COC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736094391	574350646	/nfs/dbraw/zinc/35/06/46/574350646.db2.gz	DPNNJDLFGHXEHG-UHFFFAOYSA-N	-1	0	255.657	2.686	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2ccc(C(=O)[O-])o2)c1	ZINC000736091435	574350749	/nfs/dbraw/zinc/35/07/49/574350749.db2.gz	SOHYZCJZYJRURI-UHFFFAOYSA-N	-1	0	255.273	2.596	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000736094816	574350815	/nfs/dbraw/zinc/35/08/15/574350815.db2.gz	XVSBKMSMLRGNGK-UHFFFAOYSA-N	-1	0	292.404	2.911	20	30		CFEDRM
C=CCNc1nnc(SCc2cc(C(=O)[O-])co2)s1	ZINC000736109341	574351072	/nfs/dbraw/zinc/35/10/72/574351072.db2.gz	JMWFHMIRIWPAAS-UHFFFAOYSA-N	-1	0	297.361	2.720	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000736096322	574351133	/nfs/dbraw/zinc/35/11/33/574351133.db2.gz	KQZDYAMXEBQUOS-UHFFFAOYSA-N	-1	0	288.347	2.744	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1cccc(C(=O)[O-])n1	ZINC000736098225	574351322	/nfs/dbraw/zinc/35/13/22/574351322.db2.gz	WUHMAVZMSALPCR-UHFFFAOYSA-N	-1	0	276.336	2.598	20	30		CFEDRM
N#Cc1ccc(-c2ccn(Cc3occc3C(=O)[O-])n2)cc1	ZINC000739102470	574358493	/nfs/dbraw/zinc/35/84/93/574358493.db2.gz	XFOMZXHRWAHRCA-UHFFFAOYSA-N	-1	0	293.282	2.761	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@@H]2CCCO[C@H]21	ZINC000743418235	574363257	/nfs/dbraw/zinc/36/32/57/574363257.db2.gz	XQJPXFGXYUMNGX-GXTWGEPZSA-N	-1	0	288.347	2.988	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc(O)cc1	ZINC000751205336	574371980	/nfs/dbraw/zinc/37/19/80/574371980.db2.gz	BFAJJHMSJAJINX-FPYGCLRLSA-N	-1	0	285.255	2.902	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2ccccc2s1	ZINC000752474160	574391689	/nfs/dbraw/zinc/39/16/89/574391689.db2.gz	QIAAQYGCKFFCQM-SNVBAGLBSA-N	-1	0	292.323	2.986	20	30		CFEDRM
Cn1c(Cl)cnc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000752884275	574396102	/nfs/dbraw/zinc/39/61/02/574396102.db2.gz	FBYLHUVMSFUJCG-IHWYPQMZSA-N	-1	0	296.735	2.729	20	30		CFEDRM
COc1ccc(O)c(/C=N/Cc2ccc(C(=O)[O-])cc2)c1	ZINC000818603420	597165491	/nfs/dbraw/zinc/16/54/91/597165491.db2.gz	PRCORNKRRZAZQQ-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
N#Cc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000819095587	597314216	/nfs/dbraw/zinc/31/42/16/597314216.db2.gz	BPHOGCBMKSCDRG-UHFFFAOYSA-N	-1	0	295.294	2.542	20	30		CFEDRM
CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCCCC1	ZINC000819832852	597605585	/nfs/dbraw/zinc/60/55/85/597605585.db2.gz	DIHJQYFXCNFLRM-INIZCTEOSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CSc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C	ZINC000820909840	597609570	/nfs/dbraw/zinc/60/95/70/597609570.db2.gz	DQRKDBAHEITYHT-CQSZACIVSA-N	-1	0	292.360	2.660	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cccc2ccccc21	ZINC000819873391	597616568	/nfs/dbraw/zinc/61/65/68/597616568.db2.gz	AYCOGGVSIMAEPP-KRWDZBQOSA-N	-1	0	297.310	2.888	20	30		CFEDRM
CC(C)c1nc(C#N)c(N=NC2CCC(C(=O)[O-])CC2)o1	ZINC000814820396	598096946	/nfs/dbraw/zinc/09/69/46/598096946.db2.gz	AXJYYYGUQXGNRL-UHFFFAOYSA-N	-1	0	290.323	2.712	20	30		CFEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc2ccccc2c1	ZINC000820517448	598222473	/nfs/dbraw/zinc/22/24/73/598222473.db2.gz	HRZXWOUDYGHYHG-QGZVFWFLSA-N	-1	0	296.326	2.807	20	30		CFEDRM
CC(C)c1cccc(N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820057516	598225198	/nfs/dbraw/zinc/22/51/98/598225198.db2.gz	KXLWHXBXWAKVFE-INIZCTEOSA-N	-1	0	288.347	2.777	20	30		CFEDRM
CC(C)CC(CC(C)C)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819966976	598226799	/nfs/dbraw/zinc/22/67/99/598226799.db2.gz	JYSZRNYIPZYRQK-OAHLLOKOSA-N	-1	0	282.384	2.568	20	30		CFEDRM
CC(C)CCC1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819977090	598230174	/nfs/dbraw/zinc/23/01/74/598230174.db2.gz	VWGAPNPPQTZOEC-MRXNPFEDSA-N	-1	0	294.395	2.666	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000178251636	600625187	/nfs/dbraw/zinc/62/51/87/600625187.db2.gz	DKZAYPISUAFWDN-VIFPVBQESA-N	-1	0	297.738	2.958	20	30		CFEDRM
C#CCOc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000238131855	599833319	/nfs/dbraw/zinc/83/33/19/599833319.db2.gz	AUOYUEKWJVUNPD-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
Cc1oc(COc2ccc(C#N)c(F)c2)cc1C(=O)[O-]	ZINC000133357786	599968817	/nfs/dbraw/zinc/96/88/17/599968817.db2.gz	URAHVFWIGVXPDA-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2cnc3ccccc3n2)cc1	ZINC000727258252	600055607	/nfs/dbraw/zinc/05/56/07/600055607.db2.gz	APLLKWJZYGQWIB-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
C=CCN(Cc1cc(C(=O)[O-])c(C)o1)CC(F)(F)F	ZINC000688896780	600499778	/nfs/dbraw/zinc/49/97/78/600499778.db2.gz	IBGQBPDHLJAYHS-UHFFFAOYSA-N	-1	0	277.242	2.837	20	30		CFEDRM
C[C@H](CSCc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000086109631	600597941	/nfs/dbraw/zinc/59/79/41/600597941.db2.gz	LXRWFWZHRXDRDZ-MRVPVSSYSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C[C@@H](CSCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000086108742	600598803	/nfs/dbraw/zinc/59/88/03/600598803.db2.gz	YIBWCYKYSAFAIC-QMMMGPOBSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C=CCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147469111	600618731	/nfs/dbraw/zinc/61/87/31/600618731.db2.gz	JYJYNGBGATUFBD-UHFFFAOYSA-N	-1	0	253.685	2.943	20	30		CFEDRM
N#Cc1c(F)cccc1NC[C@H](C(=O)[O-])c1ccccc1	ZINC000080956021	600670344	/nfs/dbraw/zinc/67/03/44/600670344.db2.gz	TXQGWIBFWIYXNM-ZDUSSCGKSA-N	-1	0	284.290	2.978	20	30		CFEDRM
C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1	ZINC000826061520	600684500	/nfs/dbraw/zinc/68/45/00/600684500.db2.gz	VXUNWOHDOAVWLJ-QMTHXVAHSA-N	-1	0	299.282	2.624	20	30		CFEDRM
C=CCc1cc([N+](=O)[O-])ccc1OC/C=C(/C)C(=O)[O-]	ZINC000825705330	600726216	/nfs/dbraw/zinc/72/62/16/600726216.db2.gz	CDARRFVJEBBNQX-YFHOEESVSA-N	-1	0	277.276	2.733	20	30		CFEDRM
N#CCSCCCSc1ncccc1C(=O)[O-]	ZINC000833069142	600806187	/nfs/dbraw/zinc/80/61/87/600806187.db2.gz	NOOHVPMZIRQCIM-UHFFFAOYSA-N	-1	0	268.363	2.519	20	30		CFEDRM
N#Cc1cc(F)ccc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156623667	600813357	/nfs/dbraw/zinc/81/33/57/600813357.db2.gz	FNNMVQYZBHALLV-UHFFFAOYSA-N	-1	0	282.274	2.916	20	30		CFEDRM
C=CCNc1nnc(S[C@H](CCCC)C(=O)[O-])s1	ZINC000825692562	600831599	/nfs/dbraw/zinc/83/15/99/600831599.db2.gz	YAQNKDAPSYFHJZ-MRVPVSSYSA-N	-1	0	287.410	2.872	20	30		CFEDRM
C=CCOCCCC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000825699307	600887474	/nfs/dbraw/zinc/88/74/74/600887474.db2.gz	WSWMQJYVVWXINB-UHFFFAOYSA-N	-1	0	291.347	2.721	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000825636495	600929648	/nfs/dbraw/zinc/92/96/48/600929648.db2.gz	LXVSYMWLDLXFCR-KGLIPLIRSA-N	-1	0	285.343	2.522	20	30		CFEDRM
CC(C)C[C@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)[O-]	ZINC000826815210	600953287	/nfs/dbraw/zinc/95/32/87/600953287.db2.gz	YDKFGCLINVLJCJ-DANTVBBOSA-N	-1	0	287.315	2.614	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000825698446	600968323	/nfs/dbraw/zinc/96/83/23/600968323.db2.gz	IIXBMRDYFDHPNM-UHFFFAOYSA-N	-1	0	299.273	2.584	20	30		CFEDRM
Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)C#N)c12	ZINC000833002640	600999106	/nfs/dbraw/zinc/99/91/06/600999106.db2.gz	CVJIIDJQWXURTJ-ZCFIWIBFSA-N	-1	0	290.348	2.578	20	30		CFEDRM
C#CCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000229854151	601053965	/nfs/dbraw/zinc/05/39/65/601053965.db2.gz	ZQUVUWMFVDCKNV-UHFFFAOYSA-N	-1	0	280.711	2.573	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147443588	601131212	/nfs/dbraw/zinc/13/12/12/601131212.db2.gz	FCGNVJCXTOHJFU-UHFFFAOYSA-N	-1	0	295.726	2.806	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000163125816	601137495	/nfs/dbraw/zinc/13/74/95/601137495.db2.gz	IKZAMIRZUBTIRA-JTQLQIEISA-N	-1	0	262.309	2.779	20	30		CFEDRM
C#CC[C@H](OC(=O)c1cccc(C(=O)[O-])c1)C(C)C	ZINC000825600614	601194404	/nfs/dbraw/zinc/19/44/04/601194404.db2.gz	XBGVXBGALKTKKU-ZDUSSCGKSA-N	-1	0	260.289	2.590	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)s2)ccc1C(=O)[O-]	ZINC000821037508	601282875	/nfs/dbraw/zinc/28/28/75/601282875.db2.gz	FKYOXGMFBDEOKW-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
COc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000832408210	601297664	/nfs/dbraw/zinc/29/76/64/601297664.db2.gz	QWSUXKDAWAQVJD-OAHLLOKOSA-N	-1	0	282.299	2.805	20	30		CFEDRM
N#Cc1cccc([C@H](Nc2ccc(F)cc2)C(=O)[O-])c1	ZINC000833074559	601298028	/nfs/dbraw/zinc/29/80/28/601298028.db2.gz	ANLHIDWFYKAEFX-AWEZNQCLSA-N	-1	0	270.263	2.935	20	30		CFEDRM
N#Cc1cccc([C@@H](NCc2ccc(Cl)o2)C(=O)[O-])c1	ZINC000833075383	601298975	/nfs/dbraw/zinc/29/89/75/601298975.db2.gz	LCPFOJXDXIHWKC-CYBMUJFWSA-N	-1	0	290.706	2.720	20	30		CFEDRM
CC/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829170082	601345780	/nfs/dbraw/zinc/34/57/80/601345780.db2.gz	JMJFCJCBEXMDMC-ZQNFCJTASA-N	-1	0	273.288	2.583	20	30		CFEDRM
CC/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829170081	601345826	/nfs/dbraw/zinc/34/58/26/601345826.db2.gz	JMJFCJCBEXMDMC-PRFOUVDFSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000825723879	601349590	/nfs/dbraw/zinc/34/95/90/601349590.db2.gz	CTTSPOCWLBHWEE-YYRKOSNBSA-N	-1	0	285.299	2.583	20	30		CFEDRM
CCCCC[C@H](/N=C\c1cccc(OC)c1O)C(=O)[O-]	ZINC000829312364	601365390	/nfs/dbraw/zinc/36/53/90/601365390.db2.gz	VLKRYRLIBWSDFE-KPENOIPVSA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCOc1cccc(/C=N\CC2(C(=O)[O-])CCCC2)c1O	ZINC000830099299	601365873	/nfs/dbraw/zinc/36/58/73/601365873.db2.gz	BLYUWSOYOWJHIC-YVLHZVERSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000829347730	601383575	/nfs/dbraw/zinc/38/35/75/601383575.db2.gz	LJKOBHCQKXTBRC-CYBMUJFWSA-N	-1	0	291.307	2.912	20	30		CFEDRM
C=CCCCC(=O)OCc1cc(C(=O)[O-])c(C)o1	ZINC000825671140	601430562	/nfs/dbraw/zinc/43/05/62/601430562.db2.gz	DWUPUKCMJAFCIL-UHFFFAOYSA-N	-1	0	252.266	2.686	20	30		CFEDRM
C=CCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000825664994	601435870	/nfs/dbraw/zinc/43/58/70/601435870.db2.gz	SDDXYNAWUHBYEN-UHFFFAOYSA-N	-1	0	261.321	2.700	20	30		CFEDRM
C=CCCCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1	ZINC000825664502	601439586	/nfs/dbraw/zinc/43/95/86/601439586.db2.gz	CGRNXEYHLIYKJY-UHFFFAOYSA-N	-1	0	280.349	2.693	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2)[nH]1	ZINC000833095032	601444852	/nfs/dbraw/zinc/44/48/52/601444852.db2.gz	OSIUOHFNPBZTMD-SOFGYWHQSA-N	-1	0	259.236	2.748	20	30		CFEDRM
N#CCc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000236438734	601457414	/nfs/dbraw/zinc/45/74/14/601457414.db2.gz	WSRASJIEVPWDKX-OAHLLOKOSA-N	-1	0	266.300	2.990	20	30		CFEDRM
C=CCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F	ZINC000825692388	601621123	/nfs/dbraw/zinc/62/11/23/601621123.db2.gz	SDNDVOFXYMPENM-UHFFFAOYSA-N	-1	0	275.226	2.924	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000825659717	601701968	/nfs/dbraw/zinc/70/19/68/601701968.db2.gz	AYUDIJSMWXTDLL-NXEZZACHSA-N	-1	0	279.361	2.556	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000825660151	601755771	/nfs/dbraw/zinc/75/57/71/601755771.db2.gz	XCJMQVTYQPCWMY-JTQLQIEISA-N	-1	0	294.376	2.700	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832912298	601791131	/nfs/dbraw/zinc/79/11/31/601791131.db2.gz	YLXVAIOCVYSWJL-DAXSKMNVSA-N	-1	0	255.273	2.917	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)cc2F)c[nH]1	ZINC000833297482	601792465	/nfs/dbraw/zinc/79/24/65/601792465.db2.gz	GUDZBXBVIBDYEB-RJRFIUFISA-N	-1	0	277.226	2.887	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/COc3c(F)cccc3C2=O)c[nH]1	ZINC000833297753	601793345	/nfs/dbraw/zinc/79/33/45/601793345.db2.gz	JFSYUOVAZHPCJL-WTKPLQERSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3c(cccc3F)C2=O)c[nH]1	ZINC000833298172	601793375	/nfs/dbraw/zinc/79/33/75/601793375.db2.gz	PLVYTMFWUWNXJJ-RUDMXATFSA-N	-1	0	271.247	2.674	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\CCc3cc(O)ccc3C2=O)c[nH]1	ZINC000833298468	601793536	/nfs/dbraw/zinc/79/35/36/601793536.db2.gz	VSDACIFHHNEBHP-VZUCSPMQSA-N	-1	0	283.283	2.631	20	30		CFEDRM
Cc1cc(C)cc(NN=Cc2c[nH]c(C(=O)[O-])c2)c1	ZINC000814753235	601796444	/nfs/dbraw/zinc/79/64/44/601796444.db2.gz	IOCVSAGEIOYNHZ-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
COc1cccc2c1C/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832573663	601851903	/nfs/dbraw/zinc/85/19/03/601851903.db2.gz	ZUYRPPBZUNKZQP-YHYXMXQVSA-N	-1	0	283.283	2.544	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1C(=O)[O-]	ZINC000156027278	602026704	/nfs/dbraw/zinc/02/67/04/602026704.db2.gz	KTWREXWPCUTUBW-UHFFFAOYSA-N	-1	0	272.304	2.572	20	30		CFEDRM
CN(CC#N)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000830661068	602038243	/nfs/dbraw/zinc/03/82/43/602038243.db2.gz	OQPZDEIRIHHYLR-JTQLQIEISA-N	-1	0	273.119	2.574	20	30		CFEDRM
CC1CC(C#N)(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1	ZINC000828149515	602040237	/nfs/dbraw/zinc/04/02/37/602040237.db2.gz	KZGBBTITKXOFKW-JKGQDXBKSA-N	-1	0	298.342	2.531	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1	ZINC000833072169	602182082	/nfs/dbraw/zinc/18/20/82/602182082.db2.gz	PIMNYELEBUJDRM-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
N#Cc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833075315	602187217	/nfs/dbraw/zinc/18/72/17/602187217.db2.gz	QHKPYVSYJZATNG-WAYWQWQTSA-N	-1	0	298.323	2.970	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(COC(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000825642342	602194866	/nfs/dbraw/zinc/19/48/66/602194866.db2.gz	PWCIWGGJBVPPBO-WCQYABFASA-N	-1	0	266.337	2.943	20	30		CFEDRM
C[C@H](CSCc1cc(F)ccc1C#N)C(=O)[O-]	ZINC000086108733	602312893	/nfs/dbraw/zinc/31/28/93/602312893.db2.gz	NJLXNNGTUNLHKU-MRVPVSSYSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C=C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000825660177	602323730	/nfs/dbraw/zinc/32/37/30/602323730.db2.gz	YWVRABKOOJINKM-MRVPVSSYSA-N	-1	0	250.254	2.588	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000231958362	602376404	/nfs/dbraw/zinc/37/64/04/602376404.db2.gz	RKWPGBINCYSPBM-UHFFFAOYSA-N	-1	0	298.339	2.565	20	30		CFEDRM
N#Cc1ccc(Oc2ccc(NC(=O)[O-])cc2)nc1	ZINC000831142183	603196651	/nfs/dbraw/zinc/19/66/51/603196651.db2.gz	SWRFKPXAAJGJCB-UHFFFAOYSA-N	-1	0	255.233	2.835	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCC[C@H]2CNC(=O)[O-])cc1	ZINC000831136826	603197879	/nfs/dbraw/zinc/19/78/79/603197879.db2.gz	KLRFBQSOQAMSOO-JSGCOSHPSA-N	-1	0	273.336	2.797	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823481085	603238666	/nfs/dbraw/zinc/23/86/66/603238666.db2.gz	XVVJMGRKTQHOIA-JTQLQIEISA-N	-1	0	293.392	2.878	20	30		CFEDRM
CCOc1ccc(/C=N\C[C@@H](NC(=O)[O-])C(C)C)c(O)c1	ZINC000739498128	603396360	/nfs/dbraw/zinc/39/63/60/603396360.db2.gz	QMKNIAJRCFTVKD-KHAFMBKQSA-N	-1	0	294.351	2.502	20	30		CFEDRM
N#Cc1cccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1	ZINC000831146430	603452630	/nfs/dbraw/zinc/45/26/30/603452630.db2.gz	OZDNJBXVVALROX-UHFFFAOYSA-N	-1	0	296.282	2.796	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Oc1cccc(NC(=O)[O-])c1	ZINC000823496639	603474533	/nfs/dbraw/zinc/47/45/33/603474533.db2.gz	NNMURIJABZQLTI-SNVBAGLBSA-N	-1	0	279.292	2.663	20	30		CFEDRM
C=C(C)CN(CC)C(=O)COc1ccc(NC(=O)[O-])cc1	ZINC000823480863	603619563	/nfs/dbraw/zinc/61/95/63/603619563.db2.gz	QIEYFQOHSIQFIM-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(OC)c1C)C(=O)[O-]	ZINC000900330168	620662833	/nfs/dbraw/zinc/66/28/33/620662833.db2.gz	JBBUHXNJQDJJGK-GFCCVEGCSA-N	-1	0	292.335	2.545	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc1	ZINC000900355150	620664135	/nfs/dbraw/zinc/66/41/35/620664135.db2.gz	GRSXZIGMFILJQU-SMDDNHRTSA-N	-1	0	288.347	2.679	20	30		CFEDRM
C=CCCCC(=O)N1CCC(CN(CC)C(=O)[O-])CC1	ZINC000823496925	603943156	/nfs/dbraw/zinc/94/31/56/603943156.db2.gz	SYASNQKRPIKXNB-UHFFFAOYSA-N	-1	0	282.384	2.581	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823490771	603949649	/nfs/dbraw/zinc/94/96/49/603949649.db2.gz	KYBGVFVXYSGHTC-YNEHKIRRSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823490768	603949800	/nfs/dbraw/zinc/94/98/00/603949800.db2.gz	KYBGVFVXYSGHTC-AVGNSLFASA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C(C)C	ZINC000823500195	603998447	/nfs/dbraw/zinc/99/84/47/603998447.db2.gz	BMDDDASNCKLSPZ-AGUYFDCRSA-N	-1	0	294.395	2.721	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1NCCCNC(=O)[O-]	ZINC000831113397	604035044	/nfs/dbraw/zinc/03/50/44/604035044.db2.gz	BLDDVXDCJWRYRS-UHFFFAOYSA-N	-1	0	287.241	2.647	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823532579	604088049	/nfs/dbraw/zinc/08/80/49/604088049.db2.gz	KZLNXEOADHRVQS-LLVKDONJSA-N	-1	0	280.303	2.541	20	30		CFEDRM
C#CCCCOC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823444601	604231677	/nfs/dbraw/zinc/23/16/77/604231677.db2.gz	NMNRRAJCUOVGOI-GXTWGEPZSA-N	-1	0	289.331	2.588	20	30		CFEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000825675893	604307938	/nfs/dbraw/zinc/30/79/38/604307938.db2.gz	JQLGCOKPUPPXQE-UHFFFAOYSA-N	-1	0	265.284	2.561	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(CNc2ncccc2C#N)cc1	ZINC000825403651	604347675	/nfs/dbraw/zinc/34/76/75/604347675.db2.gz	XQGAKDKSJYUKEB-NSHDSACASA-N	-1	0	296.330	2.894	20	30		CFEDRM
C=C[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825653165	604521432	/nfs/dbraw/zinc/52/14/32/604521432.db2.gz	DOXCHVUXSQJSHH-AAEUAGOBSA-N	-1	0	290.363	2.712	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)OCC	ZINC000833367964	604535341	/nfs/dbraw/zinc/53/53/41/604535341.db2.gz	YSLWQNJZEKFAOR-CYBMUJFWSA-N	-1	0	277.320	2.695	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000832849944	604566198	/nfs/dbraw/zinc/56/61/98/604566198.db2.gz	UQASOOPBHZKJIS-RYUDHWBXSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)OCC	ZINC000833367524	604567020	/nfs/dbraw/zinc/56/70/20/604567020.db2.gz	NDRVIJCCTIDBIX-ZDUSSCGKSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825676013	604573819	/nfs/dbraw/zinc/57/38/19/604573819.db2.gz	ODUAGZNUJWFRDE-MNOVXSKESA-N	-1	0	296.319	2.872	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)OCC	ZINC000833368949	604597534	/nfs/dbraw/zinc/59/75/34/604597534.db2.gz	YBBQTYMBPMDHGF-ZWNOBZJWSA-N	-1	0	296.319	2.953	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccsc1C(=O)[O-])OCC	ZINC000833367717	604604266	/nfs/dbraw/zinc/60/42/66/604604266.db2.gz	SBQQUVDPLVJWSQ-SNVBAGLBSA-N	-1	0	283.349	2.756	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1ccccc1CC(=O)[O-])OCC	ZINC000833368939	604611853	/nfs/dbraw/zinc/61/18/53/604611853.db2.gz	XZTDJQQEOCKGQA-CQSZACIVSA-N	-1	0	292.331	2.590	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cnn3ccccc23)cc1	ZINC000833309907	604628028	/nfs/dbraw/zinc/62/80/28/604628028.db2.gz	IRSHIPBXHNAZJA-CMDGGOBGSA-N	-1	0	292.294	2.929	20	30		CFEDRM
N#Cc1c(F)cccc1N(CCC(=O)[O-])Cc1ccncc1	ZINC000833761092	604636475	/nfs/dbraw/zinc/63/64/75/604636475.db2.gz	NLSUOJSXXSUWCB-UHFFFAOYSA-N	-1	0	299.305	2.574	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763367903	604667607	/nfs/dbraw/zinc/66/76/07/604667607.db2.gz	IRDGKDLDFGXZGB-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)oc1C	ZINC000832868616	604696100	/nfs/dbraw/zinc/69/61/00/604696100.db2.gz	QARIDYNCQHGWED-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)oc1C	ZINC000832868557	604696186	/nfs/dbraw/zinc/69/61/86/604696186.db2.gz	OUKONMOUIPOKIZ-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
C=C[C@H](CC(=O)O[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000833370909	604732241	/nfs/dbraw/zinc/73/22/41/604732241.db2.gz	IZPJPERRTOYRFD-DOMZBBRYSA-N	-1	0	276.332	2.999	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(OCC)cc1	ZINC000042344252	620677426	/nfs/dbraw/zinc/67/74/26/620677426.db2.gz	BQDYCEVWZPFQEL-UHFFFAOYSA-N	-1	0	285.365	2.520	20	30		CFEDRM
C=CCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000227681749	604795428	/nfs/dbraw/zinc/79/54/28/604795428.db2.gz	IUMYIRYOGRXUSE-UHFFFAOYSA-N	-1	0	257.083	2.712	20	30		CFEDRM
CC(C)C[C@H](CNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000818619079	604829590	/nfs/dbraw/zinc/82/95/90/604829590.db2.gz	VYMDHOZMJIOZGD-SSDOTTSWSA-N	-1	0	287.772	2.827	20	30		CFEDRM
C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(C(=O)[O-])cc1	ZINC000833360891	604883789	/nfs/dbraw/zinc/88/37/89/604883789.db2.gz	RBWZRFGQDHYYPW-MRXNPFEDSA-N	-1	0	294.306	2.786	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000162380714	604918685	/nfs/dbraw/zinc/91/86/85/604918685.db2.gz	BLZUWERTJWGKAM-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
COc1ccc(C#N)cc1CNc1cccc(C(=O)[O-])c1	ZINC000832152925	604984987	/nfs/dbraw/zinc/98/49/87/604984987.db2.gz	RDQUWAWHVPRGTM-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
C=C(CC)CNc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000833371022	605005185	/nfs/dbraw/zinc/00/51/85/605005185.db2.gz	VCQDKYDMEXCWGG-UHFFFAOYSA-N	-1	0	265.309	2.780	20	30		CFEDRM
CC#CCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000833380602	605005628	/nfs/dbraw/zinc/00/56/28/605005628.db2.gz	KUUOHXPKMWRBNB-LLVKDONJSA-N	-1	0	272.131	2.732	20	30		CFEDRM
C#CCCCCC(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000833363065	605013007	/nfs/dbraw/zinc/01/30/07/605013007.db2.gz	ZJMFSHIENJCFMA-UHFFFAOYSA-N	-1	0	273.332	2.931	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000833362737	605014013	/nfs/dbraw/zinc/01/40/13/605014013.db2.gz	HNBMTIQZHQTEAY-CQSZACIVSA-N	-1	0	293.750	2.776	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC000833362635	605019491	/nfs/dbraw/zinc/01/94/91/605019491.db2.gz	BNILUHCCDBLASF-UHFFFAOYSA-N	-1	0	278.304	2.777	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1c(F)cccc1F	ZINC000833404985	605039652	/nfs/dbraw/zinc/03/96/52/605039652.db2.gz	ALGPGAOXBDFWKT-VIFPVBQESA-N	-1	0	293.273	2.858	20	30		CFEDRM
C=CCCCC(=O)OCc1ccccc1CC(=O)[O-]	ZINC000833373308	605056068	/nfs/dbraw/zinc/05/60/68/605056068.db2.gz	KUQMARRLQOQYJV-UHFFFAOYSA-N	-1	0	262.305	2.713	20	30		CFEDRM
C=C(C)COc1cccc(N[C@H](C(=O)[O-])C2CC2)c1	ZINC000833369709	605063195	/nfs/dbraw/zinc/06/31/95/605063195.db2.gz	BTCFEFUPWQRQKK-AWEZNQCLSA-N	-1	0	261.321	2.917	20	30		CFEDRM
C[C@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])[nH]1	ZINC000833402856	605116187	/nfs/dbraw/zinc/11/61/87/605116187.db2.gz	YVULDGKXLGKUKI-SNVBAGLBSA-N	-1	0	285.303	2.616	20	30		CFEDRM
CCn1ccnc1C=NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833683760	605156585	/nfs/dbraw/zinc/15/65/85/605156585.db2.gz	WLCQDLJKENWCPQ-UHFFFAOYSA-N	-1	0	292.726	2.701	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C#N	ZINC000833531959	605163674	/nfs/dbraw/zinc/16/36/74/605163674.db2.gz	LVVALJCNFZLXJU-SSDOTTSWSA-N	-1	0	267.306	2.541	20	30		CFEDRM
C[C@H]1CC[C@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833606644	605164146	/nfs/dbraw/zinc/16/41/46/605164146.db2.gz	SQDIDFRXDNMRRB-QWRGUYRKSA-N	-1	0	287.315	2.736	20	30		CFEDRM
C#CCCCCC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000833362683	605235991	/nfs/dbraw/zinc/23/59/91/605235991.db2.gz	FEDJVMWBIZHMLQ-NSHDSACASA-N	-1	0	254.326	2.613	20	30		CFEDRM
N#Cc1ccc(CNc2ccc3c(c2)CN(C(=O)[O-])CC3)o1	ZINC000831126783	605255849	/nfs/dbraw/zinc/25/58/49/605255849.db2.gz	RKJLRIYFUOLOBP-UHFFFAOYSA-N	-1	0	297.314	2.799	20	30		CFEDRM
N#Cc1c(Cl)cccc1SC[C@H]1CC(C(=O)[O-])=NO1	ZINC000833760817	605265457	/nfs/dbraw/zinc/26/54/57/605265457.db2.gz	DHRHRJYIRYHLRE-SSDOTTSWSA-N	-1	0	296.735	2.533	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833368264	605281387	/nfs/dbraw/zinc/28/13/87/605281387.db2.gz	FPEJDBMVSUCNFX-UHFFFAOYSA-N	-1	0	281.287	2.955	20	30		CFEDRM
C=C[C@@H](CC(=O)OCCCC(=O)[O-])c1ccccc1	ZINC000833371049	605285317	/nfs/dbraw/zinc/28/53/17/605285317.db2.gz	KUNRFWLGHAOXAV-LBPRGKRZSA-N	-1	0	262.305	2.754	20	30		CFEDRM
C[C@@H](C#N)COC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823648808	605285377	/nfs/dbraw/zinc/28/53/77/605285377.db2.gz	XMNJBLHBOSNQOH-ZETCQYMHSA-N	-1	0	282.683	2.746	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1cc(Cl)ccn1	ZINC000833408490	605287396	/nfs/dbraw/zinc/28/73/96/605287396.db2.gz	ZATZSIRQFGYMFA-SECBINFHSA-N	-1	0	292.726	2.628	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000135307350	605301090	/nfs/dbraw/zinc/30/10/90/605301090.db2.gz	WIWKBSDGBYMGAQ-UHFFFAOYSA-N	-1	0	262.309	2.733	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000935869662	649956998	/nfs/dbraw/zinc/95/69/98/649956998.db2.gz	TWWLPJUBUCJNDF-SNVBAGLBSA-N	-1	0	286.335	2.718	20	30		CFEDRM
Cc1ccc(C#N)c(NC[C@H](NC(=O)[O-])c2ccccc2)n1	ZINC000833901231	605343637	/nfs/dbraw/zinc/34/36/37/605343637.db2.gz	HGHYGVIFMIAHTA-AWEZNQCLSA-N	-1	0	296.330	2.683	20	30		CFEDRM
C#CCOc1ccccc1OCc1ccccc1C(=O)[O-]	ZINC000833367535	605351243	/nfs/dbraw/zinc/35/12/43/605351243.db2.gz	ZBMNFUXQBRZLBH-UHFFFAOYSA-N	-1	0	282.295	2.976	20	30		CFEDRM
Cc1ccc([C@@H](CNc2nccc(C)c2C#N)C(=O)[O-])cc1	ZINC000833748557	605377073	/nfs/dbraw/zinc/37/70/73/605377073.db2.gz	CHIKENXLSQNEPL-OAHLLOKOSA-N	-1	0	295.342	2.850	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000135303089	605393192	/nfs/dbraw/zinc/39/31/92/605393192.db2.gz	HSQOEUZOWUXKSM-UHFFFAOYSA-N	-1	0	284.262	2.703	20	30		CFEDRM
C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2F)C1	ZINC000833551229	605419508	/nfs/dbraw/zinc/41/95/08/605419508.db2.gz	JWMPSHPMCCNLBW-ZFWWWQNUSA-N	-1	0	276.311	2.577	20	30		CFEDRM
C=C(C)COC(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823480725	605556476	/nfs/dbraw/zinc/55/64/76/605556476.db2.gz	MEZFSCVNLURPCL-LBPRGKRZSA-N	-1	0	263.293	2.505	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000833361943	605602762	/nfs/dbraw/zinc/60/27/62/605602762.db2.gz	SQSMMPHPLLRZMB-CYBMUJFWSA-N	-1	0	279.361	2.574	20	30		CFEDRM
C#CCCCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000833362016	605605243	/nfs/dbraw/zinc/60/52/43/605605243.db2.gz	VSPVNRGYTRDBJX-CQSZACIVSA-N	-1	0	285.343	2.785	20	30		CFEDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NOCc1cccnc1	ZINC000833803067	605642239	/nfs/dbraw/zinc/64/22/39/605642239.db2.gz	GPSQWQUISFBVMB-CYBMUJFWSA-N	-1	0	277.324	2.507	20	30		CFEDRM
N#Cc1cccc(NC2CCC(NC(=O)[O-])CC2)c1	ZINC000833976093	605706620	/nfs/dbraw/zinc/70/66/20/605706620.db2.gz	ILLKYMVIKYIYEQ-UHFFFAOYSA-N	-1	0	259.309	2.549	20	30		CFEDRM
C=CCN(CC=C)C(=O)Cc1cccc(NC(=O)[O-])c1	ZINC000833788004	605758539	/nfs/dbraw/zinc/75/85/39/605758539.db2.gz	KEYZHBFKNSCDIT-UHFFFAOYSA-N	-1	0	274.320	2.520	20	30		CFEDRM
C[C@@H](CC#N)N(C)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833515395	605837616	/nfs/dbraw/zinc/83/76/16/605837616.db2.gz	GRUGJZCOZCFQSQ-VIFPVBQESA-N	-1	0	266.728	2.772	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000827020615	605890631	/nfs/dbraw/zinc/89/06/31/605890631.db2.gz	YDLRGMIGDJYSSA-SNVBAGLBSA-N	-1	0	289.335	2.707	20	30		CFEDRM
N#Cc1ccc(NC[C@@H](NC(=O)[O-])C2CC2)cc1Cl	ZINC000833973946	605922417	/nfs/dbraw/zinc/92/24/17/605922417.db2.gz	DCHISQCFLFJBRO-GFCCVEGCSA-N	-1	0	279.727	2.670	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCCC#N	ZINC000833906972	606012278	/nfs/dbraw/zinc/01/22/78/606012278.db2.gz	UIEZGGZKFDRBFF-UHFFFAOYSA-N	-1	0	290.323	2.900	20	30		CFEDRM
N#CCCCCSCC1CCN(C(=O)[O-])CC1	ZINC000833969670	606012977	/nfs/dbraw/zinc/01/29/77/606012977.db2.gz	WJQWWFMFPLMFBY-UHFFFAOYSA-N	-1	0	256.371	2.803	20	30		CFEDRM
O=C([O-])N1CCC[C@H](CN=Nc2ncccc2Cl)C1	ZINC000834097580	606052134	/nfs/dbraw/zinc/05/21/34/606052134.db2.gz	ATKKORJROKKBAO-SECBINFHSA-N	-1	0	282.731	2.523	20	30		CFEDRM
N#Cc1cccc(Oc2cccc(CNC(=O)[O-])c2)n1	ZINC000833976284	606062231	/nfs/dbraw/zinc/06/22/31/606062231.db2.gz	LHRXQRKSSSXGRU-UHFFFAOYSA-N	-1	0	269.260	2.513	20	30		CFEDRM
CC[C@H](C)CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000825059686	607887348	/nfs/dbraw/zinc/88/73/48/607887348.db2.gz	IRHGMMMBBVJLQP-QMMMGPOBSA-N	-1	0	291.359	2.596	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)SCc1ccccc1	ZINC000846538481	618109220	/nfs/dbraw/zinc/10/92/20/618109220.db2.gz	RSEBUAOZHRRKGA-LBPRGKRZSA-N	-1	0	265.378	2.932	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H]1c1ccco1	ZINC000049416802	617603692	/nfs/dbraw/zinc/60/36/92/617603692.db2.gz	VBEVOPBWBXJZNI-RKDXNWHRSA-N	-1	0	297.357	2.790	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000049416796	617603711	/nfs/dbraw/zinc/60/37/11/617603711.db2.gz	JPEVQWJLKYAELU-GFCCVEGCSA-N	-1	0	297.376	2.621	20	30		CFEDRM
CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049418165	617604117	/nfs/dbraw/zinc/60/41/17/617604117.db2.gz	MDASAMAOEOHHNX-UHFFFAOYSA-N	-1	0	299.392	2.711	20	30		CFEDRM
O=C(Cc1ccccc1F)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513631	617608033	/nfs/dbraw/zinc/60/80/33/617608033.db2.gz	JOYZFFLVGMMLPR-UHFFFAOYSA-N	-1	0	299.367	2.987	20	30		CFEDRM
C=CC[C@H]1CCCN(c2nc(C)c(C(=O)[O-])s2)C1	ZINC000900962758	620737746	/nfs/dbraw/zinc/73/77/46/620737746.db2.gz	RAPZXTVQQQRCCC-JTQLQIEISA-N	-1	0	266.366	2.942	20	30		CFEDRM
CC(C)[C@H](CNc1c(C#N)cnn1-c1ccccc1)C(=O)[O-]	ZINC000900961479	620737895	/nfs/dbraw/zinc/73/78/95/620737895.db2.gz	FOCDKXPHPAHMRQ-AWEZNQCLSA-N	-1	0	298.346	2.513	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000255381172	617703750	/nfs/dbraw/zinc/70/37/50/617703750.db2.gz	BMENTEQKUZWVJZ-WTKPLQERSA-N	-1	0	298.294	2.781	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000890655497	617741340	/nfs/dbraw/zinc/74/13/40/617741340.db2.gz	NROSQDWZDRJXGT-LLVKDONJSA-N	-1	0	286.356	2.744	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccccn2)c1[O-]	ZINC000022726790	617797762	/nfs/dbraw/zinc/79/77/62/617797762.db2.gz	CCOAJFGVCAQBNB-VIZOYTHASA-N	-1	0	291.694	2.968	20	30		CFEDRM
O=C([O-])c1cccc(N=NC2CCOC23CCCC3)c1	ZINC000901123464	620753564	/nfs/dbraw/zinc/75/35/64/620753564.db2.gz	NECCRZCNQBUGAG-UHFFFAOYSA-N	-1	0	274.320	2.886	20	30		CFEDRM
Cc1oc(C(C)(C)C)cc1C=NNc1nnc(C)c(=O)[n-]1	ZINC000901142465	620756906	/nfs/dbraw/zinc/75/69/06/620756906.db2.gz	ZUUCGDSYSDEMKB-UHFFFAOYSA-N	-1	0	289.339	2.531	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCCOC2)c1[O-]	ZINC000255076935	617948443	/nfs/dbraw/zinc/94/84/43/617948443.db2.gz	LYQNMDXNLXDYHQ-WBERELSBSA-N	-1	0	284.699	2.552	20	30		CFEDRM
CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](C)C#N	ZINC000091982927	617957650	/nfs/dbraw/zinc/95/76/50/617957650.db2.gz	APOKPKYIKZHGFA-SECBINFHSA-N	-1	0	297.742	2.935	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(F)F)c(F)c1)C(=O)[O-]	ZINC000901245940	620770930	/nfs/dbraw/zinc/77/09/30/620770930.db2.gz	JCXKHLFFLBLQLJ-SNVBAGLBSA-N	-1	0	274.242	2.550	20	30		CFEDRM
Cc1oc(C=NOC2CCCCC2)cc1C(=O)[O-]	ZINC000901222998	620773513	/nfs/dbraw/zinc/77/35/13/620773513.db2.gz	XKGWVBZPFGXGFG-UHFFFAOYSA-N	-1	0	251.282	2.969	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417421	618081244	/nfs/dbraw/zinc/08/12/44/618081244.db2.gz	BJSYZAOBQGUZJO-UHFFFAOYSA-N	-1	0	280.349	2.519	20	30		CFEDRM
COc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000049513534	618082396	/nfs/dbraw/zinc/08/23/96/618082396.db2.gz	RNVLLEUVTAQQDG-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=NC1C[C@@H](C)O[C@H](C)C1	ZINC000901302724	620780000	/nfs/dbraw/zinc/78/00/00/620780000.db2.gz	LBLGFEAEUBOWIV-VXGBXAGGSA-N	-1	0	282.384	2.553	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@H]1CCOC1	ZINC000255264924	618151910	/nfs/dbraw/zinc/15/19/10/618151910.db2.gz	LZGSRAQVXJXVNH-HXNQLNRQSA-N	-1	0	260.120	2.907	20	30		CFEDRM
CNC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1	ZINC000255290362	618164715	/nfs/dbraw/zinc/16/47/15/618164715.db2.gz	OBYFDJYKPHBFRM-WTKPLQERSA-N	-1	0	299.301	2.787	20	30		CFEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])s1	ZINC000255289679	618164789	/nfs/dbraw/zinc/16/47/89/618164789.db2.gz	IAXVKOPUHXOSIH-XQRVVYSFSA-N	-1	0	271.297	2.927	20	30		CFEDRM
C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2)O1	ZINC000076755506	618205827	/nfs/dbraw/zinc/20/58/27/618205827.db2.gz	APERWYUDCAPZBG-VXGBXAGGSA-N	-1	0	297.376	2.680	20	30		CFEDRM
CCc1ccccc1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176819976	618205871	/nfs/dbraw/zinc/20/58/71/618205871.db2.gz	HRSIVERFJUZGCB-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1[N+](=O)[O-]	ZINC000176824160	618207273	/nfs/dbraw/zinc/20/72/73/618207273.db2.gz	NXNPDWUIVOQEBW-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176833322	618210320	/nfs/dbraw/zinc/21/03/20/618210320.db2.gz	QBPILUZPBVCMLY-UHFFFAOYSA-N	-1	0	277.283	2.582	20	30		CFEDRM
Cc1cccn2c(/C=C\C(=O)c3ccc(O)cc3[O-])cnc12	ZINC000255620797	618233350	/nfs/dbraw/zinc/23/33/50/618233350.db2.gz	ZPWTXIYCLMHKEO-DAXSKMNVSA-N	-1	0	294.310	2.950	20	30		CFEDRM
C=C1CC(C)(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1	ZINC000909426484	618251388	/nfs/dbraw/zinc/25/13/88/618251388.db2.gz	RAWKMGLLRIHFPB-CQSZACIVSA-N	-1	0	285.343	2.553	20	30		CFEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000049178059	618252315	/nfs/dbraw/zinc/25/23/15/618252315.db2.gz	UATVPUWLYFHNMV-LBPRGKRZSA-N	-1	0	299.392	2.845	20	30		CFEDRM
C=C1CCC(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1	ZINC000909430851	618253292	/nfs/dbraw/zinc/25/32/92/618253292.db2.gz	KGHJWXISZGBSMS-INIZCTEOSA-N	-1	0	299.370	2.943	20	30		CFEDRM
N#Cc1ccccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000255741388	618274584	/nfs/dbraw/zinc/27/45/84/618274584.db2.gz	PIBOYFFTMGLTDY-YVMONPNESA-N	-1	0	265.268	2.866	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855028687	618306095	/nfs/dbraw/zinc/30/60/95/618306095.db2.gz	YXPYFCLCPOWPSM-WDEREUQCSA-N	-1	0	285.384	2.613	20	30		CFEDRM
CCCCCCCCNC(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000147226760	618311890	/nfs/dbraw/zinc/31/18/90/618311890.db2.gz	UYFVOPCANUXGHP-ZDUSSCGKSA-N	-1	0	284.400	2.853	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909449871	618333563	/nfs/dbraw/zinc/33/35/63/618333563.db2.gz	HPKVIBYJINHJFG-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
CC(=O)Nc1cccc(N=Cc2ccc(O)c(O)c2O)c1	ZINC000255846455	618340709	/nfs/dbraw/zinc/34/07/09/618340709.db2.gz	QQAMUIOVGPIGLE-UHFFFAOYSA-N	-1	0	286.287	2.512	20	30		CFEDRM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179734892	618343445	/nfs/dbraw/zinc/34/34/45/618343445.db2.gz	RQXRWYABXPLWBN-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccccc1	ZINC000909452410	618349518	/nfs/dbraw/zinc/34/95/18/618349518.db2.gz	ZUTVHKQNHRXKRK-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNC2CCC(F)(F)CC2)cc1[O-]	ZINC000901345360	620797738	/nfs/dbraw/zinc/79/77/38/620797738.db2.gz	RSOCUGDXDFGKPH-UHFFFAOYSA-N	-1	0	299.277	2.802	20	30		CFEDRM
C=C1CC(C)(C(=O)NCCCCCCCC(=O)[O-])C1	ZINC000909465156	618368324	/nfs/dbraw/zinc/36/83/24/618368324.db2.gz	BRAFPSWWGKBZMQ-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
S=c1[n-]nc(-c2ccco2)n1N=Cc1ccco1	ZINC000254765405	618408970	/nfs/dbraw/zinc/40/89/70/618408970.db2.gz	YCZYBPXAPYBHHG-UHFFFAOYSA-N	-1	0	260.278	2.676	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000909484740	618411761	/nfs/dbraw/zinc/41/17/61/618411761.db2.gz	SGYVGTLIMKSPPY-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cccc(F)c1	ZINC000856032218	618423583	/nfs/dbraw/zinc/42/35/83/618423583.db2.gz	KGSXNFJHGVPZJH-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@H]1CCCC[C@H]1CC	ZINC000856033417	618423713	/nfs/dbraw/zinc/42/37/13/618423713.db2.gz	GJGWXUSNLBIYDE-OLZOCXBDSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCCONC(=O)Cc1cccc(Br)c1C	ZINC000856033164	618424147	/nfs/dbraw/zinc/42/41/47/618424147.db2.gz	ABESVSOVLAFPLM-UHFFFAOYSA-N	-1	0	298.180	2.924	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909504320	618457336	/nfs/dbraw/zinc/45/73/36/618457336.db2.gz	BFSMJBWJPNERRG-SECBINFHSA-N	-1	0	296.392	2.929	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccn3ccnc3c2)c1	ZINC000177694440	618473712	/nfs/dbraw/zinc/47/37/12/618473712.db2.gz	WDUJWDQAFHKRAK-MHWRWJLKSA-N	-1	0	296.286	2.567	20	30		CFEDRM
Cc1ccc(NN=Cc2cccc(OCCC(=O)[O-])c2)nc1	ZINC000727260496	618475843	/nfs/dbraw/zinc/47/58/43/618475843.db2.gz	YIAQMOOVYSUEPN-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
C=C1CC(C)(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)C1	ZINC000909506722	618480744	/nfs/dbraw/zinc/48/07/44/618480744.db2.gz	LZNOMMHUTURJGA-SECBINFHSA-N	-1	0	294.376	2.683	20	30		CFEDRM
N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000895227480	618485661	/nfs/dbraw/zinc/48/56/61/618485661.db2.gz	BIWBIAIDWGUFEU-SNVBAGLBSA-N	-1	0	266.291	2.796	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000909511751	618502870	/nfs/dbraw/zinc/50/28/70/618502870.db2.gz	WMYFNWWMBZJLIM-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000901438730	620820668	/nfs/dbraw/zinc/82/06/68/620820668.db2.gz	PPRLCIAQRPPCFC-UHFFFAOYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000892644545	618669453	/nfs/dbraw/zinc/66/94/53/618669453.db2.gz	UFKDHURVSFTYFR-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CCC(CC)(CNc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC000311179258	618691894	/nfs/dbraw/zinc/69/18/94/618691894.db2.gz	XSEXPVFGBJEDFJ-UHFFFAOYSA-N	-1	0	287.772	2.971	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000311584356	618716313	/nfs/dbraw/zinc/71/63/13/618716313.db2.gz	XZLVOUMCVAXHNA-STQMWFEESA-N	-1	0	267.369	2.740	20	30		CFEDRM
CC(=NN1CCCC[C@H]1C)c1ccc(C(=O)[O-])o1	ZINC000853380953	618818987	/nfs/dbraw/zinc/81/89/87/618818987.db2.gz	YOHUTZDKIPTRNE-SECBINFHSA-N	-1	0	250.298	2.576	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(CC)o1	ZINC000162296655	618837055	/nfs/dbraw/zinc/83/70/55/618837055.db2.gz	DFJQTDPBNVOXHJ-GFCCVEGCSA-N	-1	0	290.363	2.779	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCOCC2)n1	ZINC000112222383	625319582	/nfs/dbraw/zinc/31/95/82/625319582.db2.gz	HCGZLDJMPPAFPK-JDGPPOGSSA-N	-1	0	276.361	2.611	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)c(C)c1	ZINC000048476535	619342709	/nfs/dbraw/zinc/34/27/09/619342709.db2.gz	FUVOONNROLAFNV-LBPRGKRZSA-N	-1	0	297.376	2.518	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c(C)o1	ZINC000048499635	619344940	/nfs/dbraw/zinc/34/49/40/619344940.db2.gz	OLPYQZMUHWHEAX-UHFFFAOYSA-N	-1	0	297.307	2.729	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(OCCC)c1	ZINC000048518653	619348867	/nfs/dbraw/zinc/34/88/67/619348867.db2.gz	KBTHEKWDAWBLGD-UHFFFAOYSA-N	-1	0	299.392	2.910	20	30		CFEDRM
C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)CCCC	ZINC000048518690	619349082	/nfs/dbraw/zinc/34/90/82/619349082.db2.gz	RQTXSHBIWXKMMB-UHFFFAOYSA-N	-1	0	297.376	2.686	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c1	ZINC000048519120	619349397	/nfs/dbraw/zinc/34/93/97/619349397.db2.gz	JYCWRUULNHIPOU-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CC1	ZINC000048519069	619349627	/nfs/dbraw/zinc/34/96/27/619349627.db2.gz	BHCQYJCSMPITHC-UHFFFAOYSA-N	-1	0	293.266	2.761	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)c1cccs1	ZINC000048519360	619349905	/nfs/dbraw/zinc/34/99/05/619349905.db2.gz	OGWGUPYAKBEYAT-UHFFFAOYSA-N	-1	0	281.358	2.583	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519463	619349917	/nfs/dbraw/zinc/34/99/17/619349917.db2.gz	FACZIUJHIFHHON-UHFFFAOYSA-N	-1	0	287.406	2.616	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(SC)c(F)c1)C(=O)[O-]	ZINC000793055759	619505383	/nfs/dbraw/zinc/50/53/83/619505383.db2.gz	BXPNKSMMPIFCNK-NSHDSACASA-N	-1	0	284.356	2.724	20	30		CFEDRM
CC[C@H](NN=C1CC(c2ccccc2F)C1)C(=O)[O-]	ZINC000793071084	619506797	/nfs/dbraw/zinc/50/67/97/619506797.db2.gz	CHODYXJZFHSVEM-NCWAPJAISA-N	-1	0	264.300	2.512	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](C)Sc2sccc21)C(=O)[O-]	ZINC000793077919	619507839	/nfs/dbraw/zinc/50/78/39/619507839.db2.gz	JQYXFPJFBNMOJU-CBAPKCEASA-N	-1	0	284.406	2.789	20	30		CFEDRM
CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000049135235	619535527	/nfs/dbraw/zinc/53/55/27/619535527.db2.gz	MLYIMBZBKAHZGR-GFCCVEGCSA-N	-1	0	299.392	2.534	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000896503785	619751554	/nfs/dbraw/zinc/75/15/54/619751554.db2.gz	NNXKQFZIVISBPC-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCc1ccccn1	ZINC000909540008	619845702	/nfs/dbraw/zinc/84/57/02/619845702.db2.gz	JOWBBNUGUHIDQK-AWEZNQCLSA-N	-1	0	293.367	2.601	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2=CCOCC2)c1[O-]	ZINC000840706920	619859450	/nfs/dbraw/zinc/85/94/50/619859450.db2.gz	MLENNMMZMVNJGE-NVNXTCNLSA-N	-1	0	296.710	2.719	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/C[C@H]2CCCCC2(F)F)c1O	ZINC000840707406	619865890	/nfs/dbraw/zinc/86/58/90/619865890.db2.gz	OYQGRYJEECIXAD-VGTRTNLYSA-N	-1	0	298.333	2.832	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2cc(C#N)ccc2C(F)(F)F)C1	ZINC000263434691	620144070	/nfs/dbraw/zinc/14/40/70/620144070.db2.gz	UVJWSJCGPWDLEG-CYBMUJFWSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#CC1(C(=O)[N-]Oc2ccc(F)cc2)CCCCC1	ZINC000898573090	620478640	/nfs/dbraw/zinc/47/86/40/620478640.db2.gz	HQVHWYPDWNYJIW-UHFFFAOYSA-N	-1	0	262.284	2.710	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000899297882	620542810	/nfs/dbraw/zinc/54/28/10/620542810.db2.gz	LFLZAQREVSOEGE-OLZOCXBDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2nc(C(F)(F)F)cs2)[n-]1	ZINC000899353187	620548028	/nfs/dbraw/zinc/54/80/28/620548028.db2.gz	VMGBFBZRSOMJOC-UHFFFAOYSA-N	-1	0	287.266	2.668	20	30		CFEDRM
Cn1nc2c(c1C=CC(=O)c1sccc1[O-])CCC2	ZINC000899366427	620555006	/nfs/dbraw/zinc/55/50/06/620555006.db2.gz	LLORUGUTJMPTMN-WAYWQWQTSA-N	-1	0	274.345	2.572	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)C1	ZINC000899825726	620603748	/nfs/dbraw/zinc/60/37/48/620603748.db2.gz	OWLCSLKFNKRCOE-UONOGXRCSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899820933	620604780	/nfs/dbraw/zinc/60/47/80/620604780.db2.gz	XEAYDQMFFMQLBK-OLZOCXBDSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)C1	ZINC000899827237	620604981	/nfs/dbraw/zinc/60/49/81/620604981.db2.gz	IVXZKINNXBWLED-QWHCGFSZSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C(=O)[O-])cc1	ZINC000899856897	620607101	/nfs/dbraw/zinc/60/71/01/620607101.db2.gz	XTTOIPVVIBFXHT-YRWGSWDYSA-N	-1	0	295.338	2.519	20	30		CFEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1cncc(C(=O)[O-])c1	ZINC000901553314	620862724	/nfs/dbraw/zinc/86/27/24/620862724.db2.gz	ZPSIVQRLECNOTP-ARJAWSKDSA-N	-1	0	299.330	2.528	20	30		CFEDRM
N#Cc1ccc(N(CC(=O)[O-])CC2CC2)cc1Cl	ZINC000034584792	620921694	/nfs/dbraw/zinc/92/16/94/620921694.db2.gz	SOWCSRMUNHSDBP-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000902026661	620954230	/nfs/dbraw/zinc/95/42/30/620954230.db2.gz	OFBBINZWKZUXRI-SDDRHHMPSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=CCC1(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)CCCC1	ZINC000902071148	620967652	/nfs/dbraw/zinc/96/76/52/620967652.db2.gz	ARULTODLDXWXAD-SOFGYWHQSA-N	-1	0	289.331	2.996	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902088184	620975714	/nfs/dbraw/zinc/97/57/14/620975714.db2.gz	GVDYXECRAXCCJD-VOTSOKGWSA-N	-1	0	277.320	2.852	20	30		CFEDRM
N#CCCc1ccc(NC(=O)CCCCC(=O)[O-])cc1	ZINC000902839501	621188804	/nfs/dbraw/zinc/18/88/04/621188804.db2.gz	SLFYTZWVDUBZJI-UHFFFAOYSA-N	-1	0	274.320	2.726	20	30		CFEDRM
C[C@@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-]	ZINC000904244406	621555536	/nfs/dbraw/zinc/55/55/36/621555536.db2.gz	NRVDSUKTEAYPOU-SECBINFHSA-N	-1	0	262.309	2.621	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-]	ZINC000905015770	621681799	/nfs/dbraw/zinc/68/17/99/621681799.db2.gz	NYOCHNJEOXKQDX-GFCCVEGCSA-N	-1	0	280.299	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC000905016926	621682626	/nfs/dbraw/zinc/68/26/26/621682626.db2.gz	ZTFUSDIMWCVGMS-CYBMUJFWSA-N	-1	0	276.336	2.926	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1	ZINC000905124098	621703934	/nfs/dbraw/zinc/70/39/34/621703934.db2.gz	QNQHYUHJMFGCJK-MJBXVCDLSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC1(CC(=O)Nc2nc[nH]c2C(=O)OC)CCCCC1	ZINC000905221148	621725386	/nfs/dbraw/zinc/72/53/86/621725386.db2.gz	XILNLXDAIGHKBM-UHFFFAOYSA-N	-1	0	291.351	2.661	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NNC1CCCCC1	ZINC000905462261	621778371	/nfs/dbraw/zinc/77/83/71/621778371.db2.gz	HZIPHNYKUVRQQO-UHFFFAOYSA-N	-1	0	281.743	2.689	20	30		CFEDRM
C=CCn1ncc2ccc(N[C@H](C)[C@H]3C[C@H]3C(=O)[O-])cc21	ZINC000905751019	621832461	/nfs/dbraw/zinc/83/24/61/621832461.db2.gz	HIAVFHJDLQXLSU-LERXQTSPSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C=CCC(C)(C)c1noc(-c2cc(=O)[nH]c(C3CC3)n2)n1	ZINC000906120641	621933597	/nfs/dbraw/zinc/93/35/97/621933597.db2.gz	URSOQTGYRGWHGR-UHFFFAOYSA-N	-1	0	286.335	2.963	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000907578154	622136110	/nfs/dbraw/zinc/13/61/10/622136110.db2.gz	XTVBWXPCCFOENK-CYBMUJFWSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907563940	622136983	/nfs/dbraw/zinc/13/69/83/622136983.db2.gz	JNCFZQKGUMUYCK-WMLDXEAASA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000907575992	622137651	/nfs/dbraw/zinc/13/76/51/622137651.db2.gz	WSSZANVMDQAZPZ-YVEFUNNKSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=CC1(CC(=O)NCC2(C(=O)[O-])CCC2)CCCCC1	ZINC000907600910	622141883	/nfs/dbraw/zinc/14/18/83/622141883.db2.gz	JLHAQMMZFDTUHS-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000907623188	622142742	/nfs/dbraw/zinc/14/27/42/622142742.db2.gz	IIKWXFKKXDQNEF-GFCCVEGCSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000907625809	622143248	/nfs/dbraw/zinc/14/32/48/622143248.db2.gz	APBMCIHSDFGJBK-STQMWFEESA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000907659133	622148745	/nfs/dbraw/zinc/14/87/45/622148745.db2.gz	NDKICSVRPWWYCF-BXUZGUMPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000907646428	622150838	/nfs/dbraw/zinc/15/08/38/622150838.db2.gz	SBPFJZXZEVQOAQ-DYVFJYSZSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000907732155	622157795	/nfs/dbraw/zinc/15/77/95/622157795.db2.gz	SVNSUALVJPGGSU-BDAKNGLRSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C)C(=O)[O-]	ZINC000907781014	622162960	/nfs/dbraw/zinc/16/29/60/622162960.db2.gz	LQQAKNFSNGSLGI-HTOAHKCRSA-N	-1	0	279.380	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H](C=C)CC)C(=O)[O-]	ZINC000907781034	622163147	/nfs/dbraw/zinc/16/31/47/622163147.db2.gz	MIZIWLWHNDPZST-VXGBXAGGSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C)C1(C(=O)[O-])CCOCC1	ZINC000907897961	622171117	/nfs/dbraw/zinc/17/11/17/622171117.db2.gz	UBPQJKLCTBFNLP-ZDUSSCGKSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)CC1	ZINC000908031622	622188595	/nfs/dbraw/zinc/18/85/95/622188595.db2.gz	WRFDWEANBNVUHO-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000908040432	622190035	/nfs/dbraw/zinc/19/00/35/622190035.db2.gz	ZGWOTVLGDPLUSB-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C1CC(C)(C(=O)N(C)c2cccc(CC(=O)[O-])c2)C1	ZINC000908083972	622191623	/nfs/dbraw/zinc/19/16/23/622191623.db2.gz	ZAOPPEBAUNVFOY-UHFFFAOYSA-N	-1	0	273.332	2.633	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3ccc(C(=O)[O-])cc32)C1	ZINC000908064012	622192645	/nfs/dbraw/zinc/19/26/45/622192645.db2.gz	SRLPXHIMCRBBIL-UHFFFAOYSA-N	-1	0	271.316	2.630	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908235128	622206615	/nfs/dbraw/zinc/20/66/15/622206615.db2.gz	OCAHOOQSTNJEEP-UKRRQHHQSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908602243	622249274	/nfs/dbraw/zinc/24/92/74/622249274.db2.gz	KLTOOQIVPNPYOS-MRXNPFEDSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000908638081	622251717	/nfs/dbraw/zinc/25/17/17/622251717.db2.gz	LCEWJSHVMBYCMX-JTQLQIEISA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H](C(=O)[O-])C(C)C	ZINC000908734010	622269237	/nfs/dbraw/zinc/26/92/37/622269237.db2.gz	RLAFVEANNAGLEY-CQSZACIVSA-N	-1	0	275.348	2.558	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)[C@H](C(=O)[O-])C(C)C	ZINC000908750451	622271022	/nfs/dbraw/zinc/27/10/22/622271022.db2.gz	AQZQGROJXQPICM-CQSZACIVSA-N	-1	0	293.338	2.697	20	30		CFEDRM
C=C1CCC(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)CC1	ZINC000908932720	622286368	/nfs/dbraw/zinc/28/63/68/622286368.db2.gz	MBXZQRRIBKYSNW-KRWDZBQOSA-N	-1	0	287.359	2.849	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909031430	622298108	/nfs/dbraw/zinc/29/81/08/622298108.db2.gz	ZTEZKJMCWGNLQA-CQSZACIVSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000909120211	622315388	/nfs/dbraw/zinc/31/53/88/622315388.db2.gz	VVAVGZNCNZXZQD-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909105947	622317481	/nfs/dbraw/zinc/31/74/81/622317481.db2.gz	OCNKZNLBDRSSKS-HNNXBMFYSA-N	-1	0	295.310	2.691	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909178822	622322764	/nfs/dbraw/zinc/32/27/64/622322764.db2.gz	DCNZQPDLKDPOND-PBHICJAKSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251090	622332105	/nfs/dbraw/zinc/33/21/05/622332105.db2.gz	VBMVTZNIOZFBLL-CQSZACIVSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909255156	622332781	/nfs/dbraw/zinc/33/27/81/622332781.db2.gz	MVRYGPHSOUQIAG-AWEZNQCLSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CC[C@@H](C(=O)NCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000909277611	622337443	/nfs/dbraw/zinc/33/74/43/622337443.db2.gz	JTGDWNSSVSFORV-CYBMUJFWSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC000909283770	622339316	/nfs/dbraw/zinc/33/93/16/622339316.db2.gz	LMMVGBCUHXNTKH-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(Cl)cc1NC)C(=O)[O-]	ZINC000909712337	622343809	/nfs/dbraw/zinc/34/38/09/622343809.db2.gz	IWPSKTWZAGUPCC-LLVKDONJSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1coc2ccccc12)C(=O)[O-]	ZINC000909714172	622344397	/nfs/dbraw/zinc/34/43/97/622344397.db2.gz	UPVFWHOQSZNVAM-ZDUSSCGKSA-N	-1	0	287.315	2.511	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1	ZINC000909847607	622356609	/nfs/dbraw/zinc/35/66/09/622356609.db2.gz	SYWDHMIAIPLMDK-UHFFFAOYSA-N	-1	0	277.295	2.748	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000909841874	622360078	/nfs/dbraw/zinc/36/00/78/622360078.db2.gz	UMRRKDKRFOKDBP-NSHDSACASA-N	-1	0	259.305	2.617	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2ccccc2CCC(=O)[O-])C1	ZINC000909943462	622374576	/nfs/dbraw/zinc/37/45/76/622374576.db2.gz	PUNGCLWGBGHFGW-CQSZACIVSA-N	-1	0	299.370	2.579	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	ZINC000909942004	622374594	/nfs/dbraw/zinc/37/45/94/622374594.db2.gz	DNECKWINLNPKFG-IGEOTXOUSA-N	-1	0	291.391	2.836	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000909956317	622376275	/nfs/dbraw/zinc/37/62/75/622376275.db2.gz	VCDCHDBYQNSTBT-NHYWBVRUSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CCC1(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCCCC1	ZINC000909989377	622383168	/nfs/dbraw/zinc/38/31/68/622383168.db2.gz	NOZYSEDRPZMEDD-KGLIPLIRSA-N	-1	0	291.391	2.529	20	30		CFEDRM
C#CCC1(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])CCCCC1	ZINC000909996338	622384690	/nfs/dbraw/zinc/38/46/90/622384690.db2.gz	QEEUFQDTKSCXDD-CJNGLKHVSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H](CCCC=C)c1ccccc1)C(=O)[O-]	ZINC000910048393	622396834	/nfs/dbraw/zinc/39/68/34/622396834.db2.gz	KRSQWPOFFPZHPN-JKSUJKDBSA-N	-1	0	299.370	2.719	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910068348	622400942	/nfs/dbraw/zinc/40/09/42/622400942.db2.gz	IGYBSPNOOCADQP-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000833361651	625563456	/nfs/dbraw/zinc/56/34/56/625563456.db2.gz	FYFLXKWTOLNIMF-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910292369	622429902	/nfs/dbraw/zinc/42/99/02/622429902.db2.gz	DSIYGSYMWMZDKU-VIFPVBQESA-N	-1	0	277.311	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1c(C)cccc1Cl)C(=O)[O-]	ZINC000910291029	622430098	/nfs/dbraw/zinc/43/00/98/622430098.db2.gz	BUJVKHUYRBZFOO-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCN(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000910339399	622432838	/nfs/dbraw/zinc/43/28/38/622432838.db2.gz	BIZHLZZBEAQIGV-UHFFFAOYSA-N	-1	0	277.349	2.629	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCC[C@@H]1Nc1ccc(Cl)c(C#N)n1	ZINC000910442789	622444944	/nfs/dbraw/zinc/44/49/44/622444944.db2.gz	KDIAFRAEVHNCDI-GXFFZTMASA-N	-1	0	279.727	2.662	20	30		CFEDRM
C=CCC1(C(=O)Nc2nc(CCC(=O)[O-])cs2)CCC1	ZINC000910645508	622460892	/nfs/dbraw/zinc/46/08/92/622460892.db2.gz	GRTPNUOGHQOPAK-UHFFFAOYSA-N	-1	0	294.376	2.845	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cscc1C)C(=O)[O-]	ZINC000910912905	622485626	/nfs/dbraw/zinc/48/56/26/622485626.db2.gz	QEEOXTVELPANHU-NSHDSACASA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000910912884	622485793	/nfs/dbraw/zinc/48/57/93/622485793.db2.gz	PPVHGCYPPPBQPH-NSHDSACASA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)n(CC)c1C)C(=O)[O-]	ZINC000910914935	622486339	/nfs/dbraw/zinc/48/63/39/622486339.db2.gz	QABZXWPXQYTUJW-AWEZNQCLSA-N	-1	0	292.379	2.664	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)=C1CCCC1)C(=O)[O-]	ZINC000910917156	622486543	/nfs/dbraw/zinc/48/65/43/622486543.db2.gz	MQBQCLIYPNOAFI-CYBMUJFWSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1sc(C)cc1OC)C(=O)[O-]	ZINC000910915377	622486714	/nfs/dbraw/zinc/48/67/14/622486714.db2.gz	YJTLSVIPHZUCES-JTQLQIEISA-N	-1	0	297.376	2.604	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1ccc(C)s1)C(=O)[O-]	ZINC000910915443	622486753	/nfs/dbraw/zinc/48/67/53/622486753.db2.gz	ZPPUFOVRKRQBPQ-LBPRGKRZSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1cccs1)C(=O)[O-]	ZINC000910915004	622486755	/nfs/dbraw/zinc/48/67/55/622486755.db2.gz	RPILWAPIAHXNNK-QWRGUYRKSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000910915143	622486819	/nfs/dbraw/zinc/48/68/19/622486819.db2.gz	VMDBMZLIAIWLRX-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(C(F)(F)F)CCC1)C(=O)[O-]	ZINC000910916086	622486823	/nfs/dbraw/zinc/48/68/23/622486823.db2.gz	TUKZPIJGKQKEDM-SECBINFHSA-N	-1	0	293.285	2.645	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)C1CCCC1)C(=O)[O-]	ZINC000910917312	622486843	/nfs/dbraw/zinc/48/68/43/622486843.db2.gz	PONQTDGPVLUUDI-DGCLKSJQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C\c1ccccc1)C(=O)[O-]	ZINC000910918448	622487154	/nfs/dbraw/zinc/48/71/54/622487154.db2.gz	LJVOTNRIHQJVNO-NYHXXUGCSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(C)oc(C)c1C)C(=O)[O-]	ZINC000910919589	622487250	/nfs/dbraw/zinc/48/72/50/622487250.db2.gz	YLDQMMXRVWJFKY-LBPRGKRZSA-N	-1	0	279.336	2.744	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)CC(C)C)C(=O)[O-]	ZINC000910917806	622487287	/nfs/dbraw/zinc/48/72/87/622487287.db2.gz	VPFQZKXVWCZERC-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000910917805	622487342	/nfs/dbraw/zinc/48/73/42/622487342.db2.gz	VPFQZKXVWCZERC-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1C[C@H]2CC[C@@H](C1)S2)C(=O)[O-]	ZINC000910922108	622487719	/nfs/dbraw/zinc/48/77/19/622487719.db2.gz	HASVARPRNGQCMW-WVMKXHBISA-N	-1	0	297.420	2.586	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCCC1CCOCC1)C(=O)[O-]	ZINC000910924861	622488079	/nfs/dbraw/zinc/48/80/79/622488079.db2.gz	FSIBLKPADFJCMG-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(CC=C)CCC1)C(=O)[O-]	ZINC000910924687	622488092	/nfs/dbraw/zinc/48/80/92/622488092.db2.gz	CVXZCBJAWJAKIN-LBPRGKRZSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C(C)C)nc1)C(=O)[O-]	ZINC000910926120	622488097	/nfs/dbraw/zinc/48/80/97/622488097.db2.gz	QOYZVXQINGLNRQ-AWEZNQCLSA-N	-1	0	290.363	2.744	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910925307	622488399	/nfs/dbraw/zinc/48/83/99/622488399.db2.gz	IMAJTJSVAAVWES-ZDUSSCGKSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C(C)=C\c1ccco1)C(=O)[O-]	ZINC000910925696	622488436	/nfs/dbraw/zinc/48/84/36/622488436.db2.gz	NOVIFIHSWFOVKT-BSYHEUMXSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccoc1CCC)C(=O)[O-]	ZINC000910925938	622488457	/nfs/dbraw/zinc/48/84/57/622488457.db2.gz	OQUFKAUMNBLBTG-LBPRGKRZSA-N	-1	0	279.336	2.771	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(SC)oc1C)C(=O)[O-]	ZINC000910927427	622488908	/nfs/dbraw/zinc/48/89/08/622488908.db2.gz	YIUPGKCSWWIYBZ-NSHDSACASA-N	-1	0	297.376	2.849	20	30		CFEDRM
C=C1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1	ZINC000910989994	622496053	/nfs/dbraw/zinc/49/60/53/622496053.db2.gz	GNHZJLAGGRKWMM-UHFFFAOYSA-N	-1	0	291.391	2.884	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)CCSCC(=O)[O-]	ZINC000911401061	622519736	/nfs/dbraw/zinc/51/97/36/622519736.db2.gz	BZEDFBSLUCQJTG-UHFFFAOYSA-N	-1	0	293.388	2.952	20	30		CFEDRM
Cc1cc(F)c(NC(=O)C2(C#N)CCCC2)cc1C(=O)[O-]	ZINC000911680685	622534380	/nfs/dbraw/zinc/53/43/80/622534380.db2.gz	DIYLYNXYXVQDOG-UHFFFAOYSA-N	-1	0	290.294	2.855	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C)c1ccncc1	ZINC000819819198	622564256	/nfs/dbraw/zinc/56/42/56/622564256.db2.gz	UAGQVZIJMMOBQW-GMXVVIOVSA-N	-1	0	275.352	2.609	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]Oc2ccc(F)cc2)CC2CCC1CC2	ZINC000912258876	622667561	/nfs/dbraw/zinc/66/75/61/622667561.db2.gz	RVMQCKCQDJZBIY-PPUFBPAQSA-N	-1	0	288.322	2.956	20	30		CFEDRM
Cc1cccc(CO[N-]C(=O)[C@@]2(C#N)CC3CCC2CC3)n1	ZINC000912631946	622754158	/nfs/dbraw/zinc/75/41/58/622754158.db2.gz	ZDAUSCUDBJGKBP-MQBCKMQZSA-N	-1	0	299.374	2.658	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000156707322	622956603	/nfs/dbraw/zinc/95/66/03/622956603.db2.gz	FKYICELPMSYEJR-GQCTYLIASA-N	-1	0	286.283	2.976	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1cc(C)ccc1O	ZINC000156698670	622957015	/nfs/dbraw/zinc/95/70/15/622957015.db2.gz	OYIKWBCCMGKGPS-GQCTYLIASA-N	-1	0	286.283	2.976	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000156717497	622962093	/nfs/dbraw/zinc/96/20/93/622962093.db2.gz	BLPRNBVUGHBMTJ-GORDUTHDSA-N	-1	0	290.246	2.807	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(F)cc1F	ZINC000046708579	623094340	/nfs/dbraw/zinc/09/43/40/623094340.db2.gz	VAKLDHCMCKHLGC-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
CC[C@@H](CNc1ccc(Br)cc1C#N)C(=O)[O-]	ZINC000229158504	623186324	/nfs/dbraw/zinc/18/63/24/623186324.db2.gz	SCEPGJGPUKKTTQ-QMMMGPOBSA-N	-1	0	297.152	2.843	20	30		CFEDRM
O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)Oc2ccccc21	ZINC000823504262	623335727	/nfs/dbraw/zinc/33/57/27/623335727.db2.gz	NWWBTPVYUJXJTG-WUXMJOGZSA-N	-1	0	296.311	2.544	20	30		CFEDRM
Cc1noc(C)c1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000063427680	623348394	/nfs/dbraw/zinc/34/83/94/623348394.db2.gz	QPENZHQTAYJXBZ-MKMNVTDBSA-N	-1	0	275.264	2.524	20	30		CFEDRM
Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000173997370	623378049	/nfs/dbraw/zinc/37/80/49/623378049.db2.gz	SHOGGEBEBOSCNR-CQSZACIVSA-N	-1	0	288.322	2.515	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814906004	623482457	/nfs/dbraw/zinc/48/24/57/623482457.db2.gz	BWOCYINUVQBBEB-GWCFXTLKSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C#Cc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1	ZINC000313039739	623659048	/nfs/dbraw/zinc/65/90/48/623659048.db2.gz	REXAQRUHRJLJEC-UHFFFAOYSA-N	-1	0	269.300	2.562	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000825272365	623662595	/nfs/dbraw/zinc/66/25/95/623662595.db2.gz	KBNBBSLBIXDVRB-QWRGUYRKSA-N	-1	0	291.326	2.570	20	30		CFEDRM
CCn1nnc(C)c1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000834430637	625674974	/nfs/dbraw/zinc/67/49/74/625674974.db2.gz	UPKHKIXURMVIAR-BQYQJAHWSA-N	-1	0	271.320	2.517	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000827650521	624052221	/nfs/dbraw/zinc/05/22/21/624052221.db2.gz	RAJNHGRLSQJKSR-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H]1CCc2c1cccc2Cl	ZINC000837046108	624080775	/nfs/dbraw/zinc/08/07/75/624080775.db2.gz	DHPPCRHSNRSMJH-NSHDSACASA-N	-1	0	251.713	2.604	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](CC)OC1CCCC1	ZINC000073087197	624175062	/nfs/dbraw/zinc/17/50/62/624175062.db2.gz	RYSPWBOIPVNRON-GFCCVEGCSA-N	-1	0	291.413	2.811	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000915987848	624204846	/nfs/dbraw/zinc/20/48/46/624204846.db2.gz	LIPKFCVJJGONOJ-ONEGZZNKSA-N	-1	0	276.317	2.682	20	30		CFEDRM
COc1ccc(O)c(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000916255125	624230975	/nfs/dbraw/zinc/23/09/75/624230975.db2.gz	CHQKZBDOLRNCJO-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CC(=NNc1ccccc1)c1cccc(OCC(=O)[O-])c1	ZINC000916247244	624232312	/nfs/dbraw/zinc/23/23/12/624232312.db2.gz	KTYJYAQVOQTJGF-UHFFFAOYSA-N	-1	0	284.315	2.986	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(Cl)c1	ZINC000916282931	624232861	/nfs/dbraw/zinc/23/28/61/624232861.db2.gz	UMLZQJXBOIUJRY-UHFFFAOYSA-N	-1	0	291.742	2.765	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(C(C)C)cc1	ZINC000916282575	624235943	/nfs/dbraw/zinc/23/59/43/624235943.db2.gz	IPMHFEFKMDXUHL-UHFFFAOYSA-N	-1	0	285.351	2.845	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000916869702	624289485	/nfs/dbraw/zinc/28/94/85/624289485.db2.gz	NTVAHVQVSGMZBK-MRXNPFEDSA-N	-1	0	298.386	2.974	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccco1	ZINC000916871470	624289509	/nfs/dbraw/zinc/28/95/09/624289509.db2.gz	UEVMYXIQTNGJLF-ZDUSSCGKSA-N	-1	0	279.295	2.903	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1	ZINC000916893920	624290814	/nfs/dbraw/zinc/29/08/14/624290814.db2.gz	LDCULXQXILVPAW-HNNXBMFYSA-N	-1	0	284.359	2.766	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000916926535	624291814	/nfs/dbraw/zinc/29/18/14/624291814.db2.gz	IHZJNAYNXJCROY-OAHLLOKOSA-N	-1	0	284.359	2.630	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000916918446	624291815	/nfs/dbraw/zinc/29/18/15/624291815.db2.gz	MIAQGPCALODKRR-LLVKDONJSA-N	-1	0	297.141	2.618	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(C)cc1C	ZINC000917554474	624358860	/nfs/dbraw/zinc/35/88/60/624358860.db2.gz	QAPWAAXJTSNJSH-UHFFFAOYSA-N	-1	0	280.335	2.806	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000830035066	624605033	/nfs/dbraw/zinc/60/50/33/624605033.db2.gz	HEZDKRAGRQWKQP-UHFFFAOYSA-N	-1	0	274.345	2.650	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1	ZINC000920386301	624717048	/nfs/dbraw/zinc/71/70/48/624717048.db2.gz	WJADQVVOUNSHGJ-CYBMUJFWSA-N	-1	0	298.342	2.835	20	30		CFEDRM
Cc1cscc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000175103562	624926585	/nfs/dbraw/zinc/92/65/85/624926585.db2.gz	KSXWEPQWMBAJFA-LBPRGKRZSA-N	-1	0	290.388	2.828	20	30		CFEDRM
CCn1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cn1	ZINC000175325493	624947803	/nfs/dbraw/zinc/94/78/03/624947803.db2.gz	BOEBORWWUHMEHA-ONEGZZNKSA-N	-1	0	278.258	2.783	20	30		CFEDRM
C=C1CCC(CNC(=O)c2s[n-]c(=O)c2Cl)CC1	ZINC000830990594	624948791	/nfs/dbraw/zinc/94/87/91/624948791.db2.gz	FSMBKFBPRUAANH-UHFFFAOYSA-N	-1	0	286.784	2.978	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C=Cc2ccco2)c1	ZINC000073121413	625779951	/nfs/dbraw/zinc/77/99/51/625779951.db2.gz	QVINOOFVAPVTFJ-BQYQJAHWSA-N	-1	0	291.328	2.947	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc(F)n2)CC[C@H]1CC(=O)[O-]	ZINC000814927761	625900893	/nfs/dbraw/zinc/90/08/93/625900893.db2.gz	FEZBJCZGEQWNMX-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834913169	625920531	/nfs/dbraw/zinc/92/05/31/625920531.db2.gz	VOFOWIZNJQIZGI-GWCFXTLKSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CC(=NN[C@H](C)C(F)(F)F)c1csc(C(=O)[O-])c1	ZINC000834999830	625949134	/nfs/dbraw/zinc/94/91/34/625949134.db2.gz	YHTWIYXKUODZHS-ZCFIWIBFSA-N	-1	0	280.271	2.711	20	30		CFEDRM
CC(CCCc1cccnc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000834965967	625936233	/nfs/dbraw/zinc/93/62/33/625936233.db2.gz	CAFWMWMMDLEPIE-UHFFFAOYSA-N	-1	0	298.346	2.986	20	30		CFEDRM
FC1(F)CC1=CNN=c1[n-]nc(-c2ccccn2)s1	ZINC000834972046	625939871	/nfs/dbraw/zinc/93/98/71/625939871.db2.gz	CJMHNJMPHYTRHP-SSDOTTSWSA-N	-1	0	281.291	2.653	20	30		CFEDRM
O=C([O-])CNN=C1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000834982782	625945188	/nfs/dbraw/zinc/94/51/88/625945188.db2.gz	KZLQHMWRGFHKJP-SNVBAGLBSA-N	-1	0	266.728	2.638	20	30		CFEDRM
CC(N=Nc1ccncn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000835000869	625949737	/nfs/dbraw/zinc/94/97/37/625949737.db2.gz	HSNQOJLPIHMSOU-JTQLQIEISA-N	-1	0	264.329	2.546	20	30		CFEDRM
CC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835007441	625954350	/nfs/dbraw/zinc/95/43/50/625954350.db2.gz	TYZNYSYEPLCDJS-UHFFFAOYSA-N	-1	0	275.230	2.910	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C12CCC2	ZINC000835006531	625954367	/nfs/dbraw/zinc/95/43/67/625954367.db2.gz	GNHWCMNVCVJUPS-CYBMUJFWSA-N	-1	0	289.335	2.527	20	30		CFEDRM
CO[C@@](C)(CN=Nc1ccc(C(=O)[O-])cc1F)C1CC1	ZINC000835008077	625954788	/nfs/dbraw/zinc/95/47/88/625954788.db2.gz	FBEZTSBFANTABF-AWEZNQCLSA-N	-1	0	280.299	2.737	20	30		CFEDRM
O=C([O-])c1ccc(NNC=C2CC2(F)F)c(F)c1	ZINC000835008076	625955169	/nfs/dbraw/zinc/95/51/69/625955169.db2.gz	DZQBECNFPJNBFW-ZETCQYMHSA-N	-1	0	258.199	2.577	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835009497	625956040	/nfs/dbraw/zinc/95/60/40/625956040.db2.gz	UIYAVTCUZBCXCP-ZDUSSCGKSA-N	-1	0	268.288	2.737	20	30		CFEDRM
COCCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000835009784	625957010	/nfs/dbraw/zinc/95/70/10/625957010.db2.gz	CJFHKVRRPFBUHU-UHFFFAOYSA-N	-1	0	282.315	2.984	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010034	625957217	/nfs/dbraw/zinc/95/72/17/625957217.db2.gz	LZNXFRIYBYLIOK-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000835010880	625957985	/nfs/dbraw/zinc/95/79/85/625957985.db2.gz	JWOOPLFXNVGSGH-WDEREUQCSA-N	-1	0	278.327	2.792	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC(C(F)F)C2)c(F)c1	ZINC000835012807	625958682	/nfs/dbraw/zinc/95/86/82/625958682.db2.gz	VQAVOHVQGUUNRW-UHFFFAOYSA-N	-1	0	272.226	2.967	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2ccccc2F)CC1	ZINC000835012051	625958906	/nfs/dbraw/zinc/95/89/06/625958906.db2.gz	SZSRQKICLYCMCM-UHFFFAOYSA-N	-1	0	264.300	2.546	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ncc(F)cc1F	ZINC000835023727	625968375	/nfs/dbraw/zinc/96/83/75/625968375.db2.gz	OLQCUDFLVLUPFL-UHFFFAOYSA-N	-1	0	283.278	2.793	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000923056152	626447666	/nfs/dbraw/zinc/44/76/66/626447666.db2.gz	IAUAYAFAHAHROG-MRXNPFEDSA-N	-1	0	299.330	2.604	20	30		CFEDRM
N#CC1(C(=O)NCCCCCCCC(=O)[O-])CC2(CC2)C1	ZINC000923069445	626448685	/nfs/dbraw/zinc/44/86/85/626448685.db2.gz	ORWUIZFLKGTFOO-UHFFFAOYSA-N	-1	0	292.379	2.612	20	30		CFEDRM
N#C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cs2)CC12CCCC2	ZINC000923074765	626449095	/nfs/dbraw/zinc/44/90/95/626449095.db2.gz	FAHLPRXMDNKACQ-CQSZACIVSA-N	-1	0	290.344	2.859	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923093292	626450470	/nfs/dbraw/zinc/45/04/70/626450470.db2.gz	RRBRZDCDFYIZTB-CABZTGNLSA-N	-1	0	295.360	2.674	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096445	626450961	/nfs/dbraw/zinc/45/09/61/626450961.db2.gz	ZPGKTKDTCXHQAA-CQSZACIVSA-N	-1	0	297.376	2.922	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@](C)(CC(C)C)C(=O)[O-])cc1	ZINC000923189364	626455736	/nfs/dbraw/zinc/45/57/36/626455736.db2.gz	VUJJDAUNAUMWJP-KRWDZBQOSA-N	-1	0	287.359	2.535	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])OCC	ZINC000923190310	626455884	/nfs/dbraw/zinc/45/58/84/626455884.db2.gz	NHBGTGKVZAXLON-XJKSGUPXSA-N	-1	0	299.411	2.611	20	30		CFEDRM
C[C@H]1C(=NNCCC(C)(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814901356	626480749	/nfs/dbraw/zinc/48/07/49/626480749.db2.gz	KHHDSRAPEXCNKN-MNOVXSKESA-N	-1	0	254.374	2.889	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000187224118	626481504	/nfs/dbraw/zinc/48/15/04/626481504.db2.gz	PKVZTYRXQAWRKY-VZUCSPMQSA-N	-1	0	297.266	2.828	20	30		CFEDRM
CC(=NOC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000774604613	626482057	/nfs/dbraw/zinc/48/20/57/626482057.db2.gz	ZHEMNIBQRPPYLV-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
O=C(/C=C\c1cnc(N2CCCC2)nc1)c1ccccc1[O-]	ZINC000757473707	626553200	/nfs/dbraw/zinc/55/32/00/626553200.db2.gz	GOINVALEJCBVTE-FPLPWBNLSA-N	-1	0	295.342	2.679	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758111538	626576979	/nfs/dbraw/zinc/57/69/79/626576979.db2.gz	XNHICPZPDGZGTE-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
CC(=NOCc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758118823	626577165	/nfs/dbraw/zinc/57/71/65/626577165.db2.gz	KJCYJIDJPQVWJM-UHFFFAOYSA-N	-1	0	287.275	2.636	20	30		CFEDRM
Cc1cc(C)c(C=Nn2c(=O)c3ccccc3[n-]c2=S)[nH]1	ZINC000760238958	626722587	/nfs/dbraw/zinc/72/25/87/626722587.db2.gz	FXKVGMWTIZHAEG-UHFFFAOYSA-N	-1	0	298.371	2.512	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cnc(C)s1	ZINC000761252406	626819187	/nfs/dbraw/zinc/81/91/87/626819187.db2.gz	UAHSYSQVZLKGBB-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
O=C([O-])c1ccc(N=NC=C2COc3ccccc3C2)nc1	ZINC000763368451	626983109	/nfs/dbraw/zinc/98/31/09/626983109.db2.gz	LQFMYHLDOJKXMM-UHFFFAOYSA-N	-1	0	295.298	2.654	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c[nH]c3cc(F)ccc23)nc1	ZINC000763371584	626983385	/nfs/dbraw/zinc/98/33/85/626983385.db2.gz	FJERQHQXHOBMNF-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCOc3ccccc32)nc1	ZINC000763371939	626983556	/nfs/dbraw/zinc/98/35/56/626983556.db2.gz	NBWRRJHSBGPUFR-LLVKDONJSA-N	-1	0	297.314	2.744	20	30		CFEDRM
CC(CCc1ccc(O)cc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371897	626983695	/nfs/dbraw/zinc/98/36/95/626983695.db2.gz	LRCBEVCUJAHZRG-UHFFFAOYSA-N	-1	0	299.330	2.906	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc3cccnc32)nc1	ZINC000763372148	626984014	/nfs/dbraw/zinc/98/40/14/626984014.db2.gz	VKQVULSCCXXAOW-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
COCc1ccc(C=NNc2ccccc2C(=O)[O-])o1	ZINC000764666498	627081617	/nfs/dbraw/zinc/08/16/17/627081617.db2.gz	LGMNJEZTFTYOJJ-UHFFFAOYSA-N	-1	0	274.276	2.570	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NNc3ccccc3F)[nH]nc2c1	ZINC000765572072	627147590	/nfs/dbraw/zinc/14/75/90/627147590.db2.gz	IYKJQACEXFFTSK-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
CC(C)C[C@H](C#N)NC(=O)C(F)(F)c1ccccc1F	ZINC000765759219	627156273	/nfs/dbraw/zinc/15/62/73/627156273.db2.gz	BYEDYHGIKVIRKC-SNVBAGLBSA-N	-1	0	284.281	2.972	20	30		CFEDRM
CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(C(=O)[O-])o1	ZINC000772997794	627766256	/nfs/dbraw/zinc/76/62/56/627766256.db2.gz	MUCRXRUEVBAEPV-UHFFFAOYSA-N	-1	0	284.275	2.690	20	30		CFEDRM
COC(=O)c1coc(/C=C\C(=O)c2ccccc2[O-])c1	ZINC000774137472	627892862	/nfs/dbraw/zinc/89/28/62/627892862.db2.gz	WDCDZTZZLURGHK-SREVYHEPSA-N	-1	0	272.256	2.668	20	30		CFEDRM
C[C@H](CC#N)N(C)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775676897	628054080	/nfs/dbraw/zinc/05/40/80/628054080.db2.gz	AGYDYPYDZWHFCW-MRVPVSSYSA-N	-1	0	256.708	2.919	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1cccc(Cl)c1[O-]	ZINC000775714089	628058533	/nfs/dbraw/zinc/05/85/33/628058533.db2.gz	QWBTXCBFPKJPLN-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
CC(=NOCC(C)C)c1ccc(C(=O)[O-])c(F)c1	ZINC000776777607	628177265	/nfs/dbraw/zinc/17/72/65/628177265.db2.gz	UHSLQPDXMHTXTN-UHFFFAOYSA-N	-1	0	253.273	2.921	20	30		CFEDRM
COc1cccc(NN=Cc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000777430205	628224854	/nfs/dbraw/zinc/22/48/54/628224854.db2.gz	OODIRXZDVFPSFY-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)nc2)s1	ZINC000777468673	628228621	/nfs/dbraw/zinc/22/86/21/628228621.db2.gz	VUQWUABVEUWUEE-HNQUOIGGSA-N	-1	0	277.276	2.877	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1	ZINC000777468796	628228778	/nfs/dbraw/zinc/22/87/78/628228778.db2.gz	WOJWVZAVUOGFPE-CLTKARDFSA-N	-1	0	285.274	2.744	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])c1cccnc1	ZINC000778400567	628304372	/nfs/dbraw/zinc/30/43/72/628304372.db2.gz	VNBLIINDSQLHCZ-UHFFFAOYSA-N	-1	0	281.315	2.575	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@H]1CCCOC1	ZINC000779753456	628399571	/nfs/dbraw/zinc/39/95/71/628399571.db2.gz	CGOORDNPOCDTFX-LBPRGKRZSA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1nnc(N=NC2CC(C)(C)CC(C)(C)C2)[n-]c1=O	ZINC000779760990	628400373	/nfs/dbraw/zinc/40/03/73/628400373.db2.gz	ZYSLLRHXKSFRLY-UHFFFAOYSA-N	-1	0	277.372	2.890	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000780182845	628437606	/nfs/dbraw/zinc/43/76/06/628437606.db2.gz	APUWIGTWIDPTDT-NSCUHMNNSA-N	-1	0	296.735	2.729	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@](C)(c3ccccc3)C2)[n-]c1=O	ZINC000780197133	628438366	/nfs/dbraw/zinc/43/83/66/628438366.db2.gz	IOEKIIWWEWWERX-INIZCTEOSA-N	-1	0	297.362	2.795	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1ccccc1C(=O)[O-]	ZINC000781125366	628523818	/nfs/dbraw/zinc/52/38/18/628523818.db2.gz	XOEATFHCYKBNRH-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cc(O)ccc2O)c1	ZINC000782206218	628614376	/nfs/dbraw/zinc/61/43/76/628614376.db2.gz	IWCVOCYKXPQHOF-DUXPYHPUSA-N	-1	0	290.296	2.754	20	30		CFEDRM
C#CCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000783685150	628734685	/nfs/dbraw/zinc/73/46/85/628734685.db2.gz	KNUKEKQOJJPFGD-OVCLIPMQSA-N	-1	0	272.131	2.768	20	30		CFEDRM
CC[C@H](C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000784895572	628849634	/nfs/dbraw/zinc/84/96/34/628849634.db2.gz	CDNRNPJDNXBNKT-QWHCGFSZSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CC[C@@H](C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000784895570	628849881	/nfs/dbraw/zinc/84/98/81/628849881.db2.gz	CDNRNPJDNXBNKT-CHWSQXEVSA-N	-1	0	289.379	2.918	20	30		CFEDRM
Cc1ccc(/C=C/S(=O)(=O)[N-]c2ncccc2C#N)cc1	ZINC000785553678	628893431	/nfs/dbraw/zinc/89/34/31/628893431.db2.gz	HLLRPZGBCPHXSC-CSKARUKUSA-N	-1	0	299.355	2.674	20	30		CFEDRM
N#C[C@@]1(F)CCN(Cc2cccc(Br)c2[O-])C1	ZINC000786578687	628969517	/nfs/dbraw/zinc/96/95/17/628969517.db2.gz	HSWQPLHSTKJGIZ-LBPRGKRZSA-N	-1	0	299.143	2.592	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC2CCOCC2)cc1	ZINC000788694335	629093274	/nfs/dbraw/zinc/09/32/74/629093274.db2.gz	PADQKTHWKASKGK-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=C([O-])[C@H]1CCC(N=Nc2ccc(F)cn2)c2ccccc21	ZINC000789018491	629117785	/nfs/dbraw/zinc/11/77/85/629117785.db2.gz	VUKLAVKKTUVPAZ-ZDUSSCGKSA-N	-1	0	299.305	2.999	20	30		CFEDRM
CC(=Cc1nc(Cl)cs1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000789829269	629190491	/nfs/dbraw/zinc/19/04/91/629190491.db2.gz	JMBHSQQYGHKCTR-ZZXKWVIFSA-N	-1	0	292.751	2.620	20	30		CFEDRM
O=C([N-][C@@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F	ZINC000790145202	629213486	/nfs/dbraw/zinc/21/34/86/629213486.db2.gz	DNLVNRDACULDPM-ZETCQYMHSA-N	-1	0	289.150	2.950	20	30		CFEDRM
Cc1cccnc1N=NC(C)c1cccc(OCC(=O)[O-])c1	ZINC000790187533	629217243	/nfs/dbraw/zinc/21/72/43/629217243.db2.gz	XBKRKFLXJMTMOY-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cn3ccccc3n2)cc1	ZINC000791427095	629313718	/nfs/dbraw/zinc/31/37/18/629313718.db2.gz	GORBNHXNJSEHCK-TWGQIWQCSA-N	-1	0	292.294	2.929	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1	ZINC000835035850	629328533	/nfs/dbraw/zinc/32/85/33/629328533.db2.gz	KXRFOLOGDHJGJS-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
CC[C@@H](NN=Cc1nc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000793056137	629480703	/nfs/dbraw/zinc/48/07/03/629480703.db2.gz	DCZAAAMLOOFHKM-LLVKDONJSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(F)c(Cl)c1Cl)C(=O)[O-]	ZINC000793057121	629480959	/nfs/dbraw/zinc/48/09/59/629480959.db2.gz	LCAHOAWAZMCWHN-QMMMGPOBSA-N	-1	0	293.125	2.919	20	30		CFEDRM
CC[C@H](NN=C1CCCc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793058351	629481561	/nfs/dbraw/zinc/48/15/61/629481561.db2.gz	TWYOLFRWLSUFSB-LBPRGKRZSA-N	-1	0	280.755	2.833	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000793070746	629481963	/nfs/dbraw/zinc/48/19/63/629481963.db2.gz	DKSLSFKDBMPGDL-ZDUSSCGKSA-N	-1	0	262.353	2.771	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](C(C)C)[C@@H](C)C1)C(=O)[O-]	ZINC000793072845	629482926	/nfs/dbraw/zinc/48/29/26/629482926.db2.gz	WQWMTTVZWNHVFO-UHTWSYAYSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CCCOc1ccc(C(C)=NN[C@H](CC)C(=O)[O-])cc1	ZINC000793072403	629482991	/nfs/dbraw/zinc/48/29/91/629482991.db2.gz	SALIMFLJGMBRDO-CQSZACIVSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC000793072998	629483830	/nfs/dbraw/zinc/48/38/30/629483830.db2.gz	XLUYWAQCPYROIT-CYBMUJFWSA-N	-1	0	290.294	2.872	20	30		CFEDRM
CC[C@H](NN=C(C)Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000793073413	629483850	/nfs/dbraw/zinc/48/38/50/629483850.db2.gz	UVTKIKULCWQUMZ-LBPRGKRZSA-N	-1	0	268.744	2.711	20	30		CFEDRM
CCc1oc2ccccc2c1C=NN[C@@H](CC)C(=O)[O-]	ZINC000793073538	629483908	/nfs/dbraw/zinc/48/39/08/629483908.db2.gz	XEJHHOJDULZBCC-LBPRGKRZSA-N	-1	0	274.320	2.782	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@H](C)c2ccccc21)C(=O)[O-]	ZINC000793077928	629484162	/nfs/dbraw/zinc/48/41/62/629484162.db2.gz	KBGAFSZVURZKJH-GXFFZTMASA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-]	ZINC000793077899	629484297	/nfs/dbraw/zinc/48/42/97/629484297.db2.gz	JMEXIPVOJQKXKQ-KBPBESRZSA-N	-1	0	274.364	2.987	20	30		CFEDRM
CC[C@@H](NN=C1c2cccc(F)c2CC[C@H]1C)C(=O)[O-]	ZINC000793080101	629484559	/nfs/dbraw/zinc/48/45/59/629484559.db2.gz	WBMREYCGZVXIBX-NOZJJQNGSA-N	-1	0	278.327	2.565	20	30		CFEDRM
CCC(=NNC(CC)c1cccc(Cl)c1)C(=O)[O-]	ZINC000793081010	629484949	/nfs/dbraw/zinc/48/49/49/629484949.db2.gz	GTCMWKJXZCOGOQ-LBPRGKRZSA-N	-1	0	268.744	2.907	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(C)sc1C)C(=O)[O-]	ZINC000793080374	629485051	/nfs/dbraw/zinc/48/50/51/629485051.db2.gz	XUAIOPJNIPEGIG-NSHDSACASA-N	-1	0	254.355	2.542	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Br)cc1C)C(=O)[O-]	ZINC000793080995	629485214	/nfs/dbraw/zinc/48/52/14/629485214.db2.gz	GNOKHWKOLWWSKX-NSHDSACASA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC000793081959	629485278	/nfs/dbraw/zinc/48/52/78/629485278.db2.gz	QKWAUGBOTDGEAL-CYBMUJFWSA-N	-1	0	274.320	2.836	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000793158500	629494536	/nfs/dbraw/zinc/49/45/36/629494536.db2.gz	IABAZPRDLMUJKR-NEPJUHHUSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC[C@@H](C)CON=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000793160733	629495114	/nfs/dbraw/zinc/49/51/14/629495114.db2.gz	XDGUUHXFUISDSW-SECBINFHSA-N	-1	0	275.308	2.658	20	30		CFEDRM
Cc1cnn(C)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000794855362	629695326	/nfs/dbraw/zinc/69/53/26/629695326.db2.gz	QILTUEBMMXEMOO-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
C[C@H]1CSCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000794857895	629695993	/nfs/dbraw/zinc/69/59/93/629695993.db2.gz	YYTBZBULENIJBO-QMMMGPOBSA-N	-1	0	250.323	2.536	20	30		CFEDRM
O=C(/C=C/c1c(F)ccc(O)c1F)c1ccc(O)cc1[O-]	ZINC000794940982	629707857	/nfs/dbraw/zinc/70/78/57/629707857.db2.gz	HKQZUXUGGNLVPK-HWKANZROSA-N	-1	0	292.237	2.978	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2cccc(F)n2)cc1F	ZINC000795009962	629724138	/nfs/dbraw/zinc/72/41/38/629724138.db2.gz	QQCBAMWWVRBVQQ-UHFFFAOYSA-N	-1	0	267.210	2.651	20	30		CFEDRM
CCC(=NOCCCOC)c1cc(C(=O)[O-])ccc1F	ZINC000795050611	629730271	/nfs/dbraw/zinc/73/02/71/629730271.db2.gz	FTWBIQXZAMFPES-UHFFFAOYSA-N	-1	0	283.299	2.691	20	30		CFEDRM
C#CCOc1ccccc1[N-]S(=O)(=O)c1ccsc1	ZINC000795352174	629765328	/nfs/dbraw/zinc/76/53/28/629765328.db2.gz	PCRFTYNOQMCPOA-UHFFFAOYSA-N	-1	0	293.369	2.561	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2	ZINC000835562254	629841819	/nfs/dbraw/zinc/84/18/19/629841819.db2.gz	BHOOVEAZPNUBMT-ABXWRUBCSA-N	-1	0	299.436	2.613	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)cc1Cl	ZINC000796630599	629943193	/nfs/dbraw/zinc/94/31/93/629943193.db2.gz	QAPVDGJAUSRAQQ-LBPRGKRZSA-N	-1	0	292.766	2.804	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(Cl)cc1C	ZINC000796638001	629943784	/nfs/dbraw/zinc/94/37/84/629943784.db2.gz	YGYNKBLLAOILOS-LBPRGKRZSA-N	-1	0	290.750	2.582	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000796694579	629951490	/nfs/dbraw/zinc/95/14/90/629951490.db2.gz	XQVDMADRBSXWQD-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
CCc1ccc2occ(C([O-])=C(C#N)C(=O)NC3CC3)c2c1	ZINC000796794859	629968598	/nfs/dbraw/zinc/96/85/98/629968598.db2.gz	XFHOHIYLQDLENJ-ZDUSSCGKSA-N	-1	0	296.326	2.596	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000797162749	630030355	/nfs/dbraw/zinc/03/03/55/630030355.db2.gz	LIYPIRPJEDBOKT-LBPRGKRZSA-N	-1	0	299.330	2.650	20	30		CFEDRM
C#Cc1cccc(NC(=O)N([C@H](CC)C(=O)[O-])C2CC2)c1	ZINC000797737236	630098560	/nfs/dbraw/zinc/09/85/60/630098560.db2.gz	UTNHZUUWNXTSPF-CQSZACIVSA-N	-1	0	286.331	2.527	20	30		CFEDRM
C/C(=C\Cl)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000797809377	630106929	/nfs/dbraw/zinc/10/69/29/630106929.db2.gz	AKZPSBWEWQQKJB-FPYGCLRLSA-N	-1	0	294.767	2.682	20	30		CFEDRM
CCCCCCCC(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000798135860	630154495	/nfs/dbraw/zinc/15/44/95/630154495.db2.gz	WHINVMFWSLDUPW-UHFFFAOYSA-N	-1	0	294.399	2.577	20	30		CFEDRM
O=C(C=Cc1cc(F)c([O-])c(F)c1)c1cc[nH]c(=O)c1	ZINC000798230794	630168662	/nfs/dbraw/zinc/16/86/62/630168662.db2.gz	PWHSKMGULUTDLE-UPHRSURJSA-N	-1	0	277.226	2.667	20	30		CFEDRM
C#CCCCCCC(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000835947519	630169686	/nfs/dbraw/zinc/16/96/86/630169686.db2.gz	IRWCVLYSVOZQKK-UHFFFAOYSA-N	-1	0	299.436	2.596	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCCC2CCOCC2)c1	ZINC000798985250	630266647	/nfs/dbraw/zinc/26/66/47/630266647.db2.gz	MUECBDVUJCKDFK-UHFFFAOYSA-N	-1	0	288.347	2.799	20	30		CFEDRM
CC(C)c1nc(C(C)N=Nc2ccc(C(=O)[O-])cn2)co1	ZINC000799481933	630313360	/nfs/dbraw/zinc/31/33/60/630313360.db2.gz	DXOQPLBLLDELBN-UHFFFAOYSA-N	-1	0	288.307	2.727	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC23CCOCC3)cc1	ZINC000799864989	630348936	/nfs/dbraw/zinc/34/89/36/630348936.db2.gz	BJAXFCTVPWDMPX-UHFFFAOYSA-N	-1	0	274.320	2.743	20	30		CFEDRM
CON=C(C)c1c[nH]c2ccc(Br)cc2c1=O	ZINC000799875309	630350048	/nfs/dbraw/zinc/35/00/48/630350048.db2.gz	WEUMCTAWODWTMW-UHFFFAOYSA-N	-1	0	295.136	2.661	20	30		CFEDRM
Cc1[nH]c(C=NNc2cccc(C)c2)cc1C(=O)[O-]	ZINC000800803693	630405744	/nfs/dbraw/zinc/40/57/44/630405744.db2.gz	LFYAOMKATGPMLU-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
Cc1[nH]c(C=NOCc2ccc(F)cc2)cc1C(=O)[O-]	ZINC000800815669	630407590	/nfs/dbraw/zinc/40/75/90/630407590.db2.gz	JTIYCZWJZMNQEE-UHFFFAOYSA-N	-1	0	276.267	2.711	20	30		CFEDRM
Cc1[nH]c(C=NOC2CCCCC2)cc1C(=O)[O-]	ZINC000800817186	630408340	/nfs/dbraw/zinc/40/83/40/630408340.db2.gz	VWODMSVAPAAFTA-UHFFFAOYSA-N	-1	0	250.298	2.705	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1F	ZINC000103640249	630429153	/nfs/dbraw/zinc/42/91/53/630429153.db2.gz	QEWNVFAZLVNOOG-ZDUSSCGKSA-N	-1	0	288.322	2.515	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C/c2cccnc2)C(=O)c2ccccc21	ZINC000806559596	630812221	/nfs/dbraw/zinc/81/22/21/630812221.db2.gz	DEIPBUZOFFQNCN-PINLSGDHSA-N	-1	0	279.295	2.920	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CCCC1CC1	ZINC000807959435	630926064	/nfs/dbraw/zinc/92/60/64/630926064.db2.gz	SWOJYKZSZFKSAD-UHFFFAOYSA-N	-1	0	273.361	2.709	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(Cl)c2)CCOCC1	ZINC000837044201	630943637	/nfs/dbraw/zinc/94/36/37/630943637.db2.gz	JXYVAAAHRDNIOV-UHFFFAOYSA-N	-1	0	295.766	2.622	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](OC(C)(C)C)c1ccccc1	ZINC000837047875	630945561	/nfs/dbraw/zinc/94/55/61/630945561.db2.gz	MKUCDPHAYBRZIS-CYBMUJFWSA-N	-1	0	263.337	2.777	20	30		CFEDRM
C[C@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000837495632	631047648	/nfs/dbraw/zinc/04/76/48/631047648.db2.gz	CSXLMYMLJXCKQH-SSDOTTSWSA-N	-1	0	272.226	2.791	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1ocnc1C1CC1	ZINC000808979017	631061719	/nfs/dbraw/zinc/06/17/19/631061719.db2.gz	DDJKPZSLRAUFIL-LBPRGKRZSA-N	-1	0	295.298	2.513	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000809062494	631074560	/nfs/dbraw/zinc/07/45/60/631074560.db2.gz	OISJQEYMSMOXTD-CYBMUJFWSA-N	-1	0	295.404	2.543	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2COc3ccccc32)c1	ZINC000809144487	631088635	/nfs/dbraw/zinc/08/86/35/631088635.db2.gz	NSTUXBLAWAMROP-OPFCKLNOSA-N	-1	0	298.298	2.896	20	30		CFEDRM
O=C(/C=C/c1cnccn1)c1ccc([O-])c(Cl)c1	ZINC000809157058	631091774	/nfs/dbraw/zinc/09/17/74/631091774.db2.gz	MPKAAGMNUKFOGS-DUXPYHPUSA-N	-1	0	260.680	2.732	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837641026	631094539	/nfs/dbraw/zinc/09/45/39/631094539.db2.gz	UENFRZURNLFASJ-SNVBAGLBSA-N	-1	0	279.292	2.946	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CCC)c1ccc(Cl)cc1	ZINC000855606427	635596847	/nfs/dbraw/zinc/59/68/47/635596847.db2.gz	HWKMTEMKFCSZJM-CYBMUJFWSA-N	-1	0	265.740	2.905	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2C[C@H]2C2CC2)c1	ZINC000840709690	631175639	/nfs/dbraw/zinc/17/56/39/631175639.db2.gz	LCIXBZJNPIVZLI-MMLOXZFYSA-N	-1	0	260.293	2.765	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000042303946	649997467	/nfs/dbraw/zinc/99/74/67/649997467.db2.gz	ICDJSGDMLGMOCT-UHFFFAOYSA-N	-1	0	280.349	2.784	20	30		CFEDRM
CCCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000840983692	631293720	/nfs/dbraw/zinc/29/37/20/631293720.db2.gz	OKDMSEBVVCRSKN-CYBMUJFWSA-N	-1	0	284.400	2.853	20	30		CFEDRM
N#CCOc1cc(F)ccc1NC1CCC(C(=O)[O-])CC1	ZINC000840995061	631294872	/nfs/dbraw/zinc/29/48/72/631294872.db2.gz	RNYHPUWKHAAVJW-UHFFFAOYSA-N	-1	0	292.310	2.783	20	30		CFEDRM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000042311801	649997680	/nfs/dbraw/zinc/99/76/80/649997680.db2.gz	UNKIJDDWCWQMII-UHFFFAOYSA-N	-1	0	292.360	2.535	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1	ZINC000810533171	631383308	/nfs/dbraw/zinc/38/33/08/631383308.db2.gz	YRNAPZGGSKULFZ-LBPRGKRZSA-N	-1	0	298.367	2.834	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@H]2[N-]C(=O)C(F)(F)F	ZINC000841465265	631409736	/nfs/dbraw/zinc/40/97/36/631409736.db2.gz	BZRVRZPQKLAIMG-LLVKDONJSA-N	-1	0	268.238	2.614	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@@H]2C)CC1	ZINC000810983401	631491129	/nfs/dbraw/zinc/49/11/29/631491129.db2.gz	SPVOJSRFBFDBEY-QWHCGFSZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCC(C)(C)CC2)CC1	ZINC000810987942	631491195	/nfs/dbraw/zinc/49/11/95/631491195.db2.gz	FWAPABQMWDFEDN-UHFFFAOYSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)C(CC)CC)CC1	ZINC000810983350	631491314	/nfs/dbraw/zinc/49/13/14/631491314.db2.gz	QWVVVXLFGNSTJK-NSHDSACASA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2csc(C)c2C)CC1	ZINC000810987282	631491329	/nfs/dbraw/zinc/49/13/29/631491329.db2.gz	FNMGBZNZQIUQSV-UHFFFAOYSA-N	-1	0	299.417	2.533	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)c2ccccc12	ZINC000842288847	631579944	/nfs/dbraw/zinc/57/99/44/631579944.db2.gz	LBUFVMWXHIRAJT-MRXNPFEDSA-N	-1	0	292.338	2.749	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NOC/C=C/Cl)c1	ZINC000811669626	631603467	/nfs/dbraw/zinc/60/34/67/631603467.db2.gz	RMAYZILHOBZOOB-TUBCEFTJSA-N	-1	0	283.711	2.643	20	30		CFEDRM
COc1ccc([O-])c(C(=O)/C=C/c2nc(C#N)cs2)c1	ZINC000811694251	631607388	/nfs/dbraw/zinc/60/73/88/631607388.db2.gz	UNVBGDMBVVHJPO-SNAWJCMRSA-N	-1	0	286.312	2.625	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1O	ZINC000811698419	631608086	/nfs/dbraw/zinc/60/80/86/631608086.db2.gz	QKSJLBCEHAYYLA-YWEYNIOJSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CC(C)OCCON=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000812239281	631676584	/nfs/dbraw/zinc/67/65/84/631676584.db2.gz	RYQIPQDRXDAIPL-UHFFFAOYSA-N	-1	0	285.727	2.814	20	30		CFEDRM
Cc1nnc(NN=Cc2csc3ccccc23)[n-]c1=O	ZINC000812403328	631703483	/nfs/dbraw/zinc/70/34/83/631703483.db2.gz	QRXDCKFWANIDJA-UHFFFAOYSA-N	-1	0	285.332	2.546	20	30		CFEDRM
N#CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812446312	631719027	/nfs/dbraw/zinc/71/90/27/631719027.db2.gz	XVERLDCEYHSWQZ-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1	ZINC000812782836	631774789	/nfs/dbraw/zinc/77/47/89/631774789.db2.gz	LGQUMRLMWZIITK-LBPRGKRZSA-N	-1	0	283.327	2.633	20	30		CFEDRM
CC(=O)[C@H](C)CCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000155694585	650028980	/nfs/dbraw/zinc/02/89/80/650028980.db2.gz	LUFDDZIJUNAICJ-LLVKDONJSA-N	-1	0	288.347	2.988	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc(C2CC2)cs1	ZINC000842945247	631789503	/nfs/dbraw/zinc/78/95/03/631789503.db2.gz	PHCDTGIJHNAVJJ-SNVBAGLBSA-N	-1	0	283.312	2.975	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1cc(C(F)(F)F)ccn1	ZINC000813218426	631882918	/nfs/dbraw/zinc/88/29/18/631882918.db2.gz	OUUWFVKXCFRPEE-SNVBAGLBSA-N	-1	0	282.221	2.581	20	30		CFEDRM
CC(=NOCC1CC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000814243172	632043888	/nfs/dbraw/zinc/04/38/88/632043888.db2.gz	JQTOCCCQOCRKHV-UHFFFAOYSA-N	-1	0	251.257	2.675	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NOCCC2CC2)c1)C(=O)[O-]	ZINC000814245524	632044287	/nfs/dbraw/zinc/04/42/87/632044287.db2.gz	WJWRFIAZPANXSV-LLVKDONJSA-N	-1	0	277.320	2.689	20	30		CFEDRM
CC(=NOCCC1CC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000814245127	632044862	/nfs/dbraw/zinc/04/48/62/632044862.db2.gz	JODKPEVATMGTLU-UHFFFAOYSA-N	-1	0	276.336	2.937	20	30		CFEDRM
C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C	ZINC000843789087	632056821	/nfs/dbraw/zinc/05/68/21/632056821.db2.gz	UBAJYPYBHCZAKM-UHFFFAOYSA-N	-1	0	298.726	2.990	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H]1CCc2cc(Br)ccc21	ZINC000843900691	632075240	/nfs/dbraw/zinc/07/52/40/632075240.db2.gz	CQVKEEQULYIWTQ-GFCCVEGCSA-N	-1	0	296.164	2.713	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc3oncc3c2)cc1	ZINC000814681078	632106733	/nfs/dbraw/zinc/10/67/33/632106733.db2.gz	WAIMTMCEUDMUBV-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
COCCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689626	632109143	/nfs/dbraw/zinc/10/91/43/632109143.db2.gz	BLGITRFGPKWPEB-UHFFFAOYSA-N	-1	0	270.716	2.863	20	30		CFEDRM
C[C@H]1C(N=Nc2nc3ccccc3[nH]2)CC[C@H]1CC(=O)[O-]	ZINC000814708762	632111823	/nfs/dbraw/zinc/11/18/23/632111823.db2.gz	LPACLZPITQJKEK-ZJUUUORDSA-N	-1	0	286.335	2.852	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC(=S)NCCC(C)C	ZINC000814758794	632119183	/nfs/dbraw/zinc/11/91/83/632119183.db2.gz	IFDYZUQQUOOAGL-UHFFFAOYSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CC(C)OC1CC(N=Nc2ccccc2C(=O)[O-])C1	ZINC000814768767	632120607	/nfs/dbraw/zinc/12/06/07/632120607.db2.gz	LOKFYAGTLRICKR-UHFFFAOYSA-N	-1	0	262.309	2.740	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000814768908	632120712	/nfs/dbraw/zinc/12/07/12/632120712.db2.gz	OAZOFROOSINSET-QMMMGPOBSA-N	-1	0	250.323	2.678	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000814768907	632120867	/nfs/dbraw/zinc/12/08/67/632120867.db2.gz	OAZOFROOSINSET-MRVPVSSYSA-N	-1	0	250.323	2.678	20	30		CFEDRM
CCON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814788195	632123621	/nfs/dbraw/zinc/12/36/21/632123621.db2.gz	ICPLXXFKKXCGFP-UHFFFAOYSA-N	-1	0	265.309	2.691	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccccc2F)c1	ZINC000814789612	632124507	/nfs/dbraw/zinc/12/45/07/632124507.db2.gz	KXPROGQQIZAVOH-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
C[C@@H]1CC(=NNCc2cccc(F)c2)CC[C@H]1C(=O)[O-]	ZINC000814804833	632127941	/nfs/dbraw/zinc/12/79/41/632127941.db2.gz	HHLFZRCSTWWXBI-QMTHXVAHSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cccc(F)c1	ZINC000814804690	632127984	/nfs/dbraw/zinc/12/79/84/632127984.db2.gz	BFYHCCZRUQFAHQ-PWSUYJOCSA-N	-1	0	278.327	2.792	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCc2cccc(F)c2)c1	ZINC000814805596	632128074	/nfs/dbraw/zinc/12/80/74/632128074.db2.gz	YGKXHEUHSDAIAZ-UHFFFAOYSA-N	-1	0	272.279	2.648	20	30		CFEDRM
COc1ccc(CNN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814810833	632129944	/nfs/dbraw/zinc/12/99/44/632129944.db2.gz	IQUAFQVPVPSERS-YPMHNXCESA-N	-1	0	290.363	2.662	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000814832746	632134136	/nfs/dbraw/zinc/13/41/36/632134136.db2.gz	MLMFQMXSTZQRGF-UHFFFAOYSA-N	-1	0	283.671	2.511	20	30		CFEDRM
CC(=NNC1CCCC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814832755	632134166	/nfs/dbraw/zinc/13/41/66/632134166.db2.gz	MPMHMMMGEHCIOJ-GFCCVEGCSA-N	-1	0	290.363	2.795	20	30		CFEDRM
Cc1ccc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)nn1	ZINC000814840048	632136026	/nfs/dbraw/zinc/13/60/26/632136026.db2.gz	DBQXNGREKGRDME-NEPJUHHUSA-N	-1	0	290.367	2.710	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccnc3ccccc32)c1	ZINC000814841296	632136245	/nfs/dbraw/zinc/13/62/45/632136245.db2.gz	KNLLKKYEZKKKRS-UHFFFAOYSA-N	-1	0	291.310	2.801	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccnc3ccccc23)CC[C@H]1CC(=O)[O-]	ZINC000814841218	632136417	/nfs/dbraw/zinc/13/64/17/632136417.db2.gz	HBBNJDPNRCFRQD-RYUDHWBXSA-N	-1	0	297.358	2.945	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(F)cn1	ZINC000814842956	632137014	/nfs/dbraw/zinc/13/70/14/632137014.db2.gz	WGAAKUXRCNTFLV-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])C[C@H]2C)c1	ZINC000814868238	632142473	/nfs/dbraw/zinc/14/24/73/632142473.db2.gz	YBWXUCKLLDCEBK-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCCc2ccccc2F)c1	ZINC000814875845	632145659	/nfs/dbraw/zinc/14/56/59/632145659.db2.gz	YSQIAXUZAVMMES-UHFFFAOYSA-N	-1	0	286.306	2.690	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NO[C@@H]2CCCCO2)C1	ZINC000814887654	632150027	/nfs/dbraw/zinc/15/00/27/632150027.db2.gz	QEGODZSQKWOTDY-IURRXHLWSA-N	-1	0	289.331	2.702	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC2(CC2)C1	ZINC000814887536	632150129	/nfs/dbraw/zinc/15/01/29/632150129.db2.gz	SIZDSIDPEBSMTE-UHFFFAOYSA-N	-1	0	260.293	2.735	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1	ZINC000814887504	632150153	/nfs/dbraw/zinc/15/01/53/632150153.db2.gz	JSNZMVWLWCSPTI-WCQYABFASA-N	-1	0	260.337	2.653	20	30		CFEDRM
CC(C)(C#N)[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000814889879	632151081	/nfs/dbraw/zinc/15/10/81/632151081.db2.gz	CKDRNUVNIBGGRQ-LLVKDONJSA-N	-1	0	286.335	2.898	20	30		CFEDRM
CC(C)OCCNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814899442	632154850	/nfs/dbraw/zinc/15/48/50/632154850.db2.gz	WPBRJFBCLRONHP-NWDGAFQWSA-N	-1	0	284.400	2.514	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccnc(F)c1	ZINC000814902123	632155886	/nfs/dbraw/zinc/15/58/86/632155886.db2.gz	FQMSUEPKHJWHFD-UHFFFAOYSA-N	-1	0	287.294	2.982	20	30		CFEDRM
C[C@H]1C(N=Nc2ccnc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814902425	632156551	/nfs/dbraw/zinc/15/65/51/632156551.db2.gz	NBASSANWYIVKJL-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NNC1CC1	ZINC000814902387	632156580	/nfs/dbraw/zinc/15/65/80/632156580.db2.gz	BBHRHXBPNOSKTC-LBPRGKRZSA-N	-1	0	290.363	2.599	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccnc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814902427	632156604	/nfs/dbraw/zinc/15/66/04/632156604.db2.gz	NBASSANWYIVKJL-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CCOCCON=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814907656	632159004	/nfs/dbraw/zinc/15/90/04/632159004.db2.gz	SQBACXABXUAXPK-UHFFFAOYSA-N	-1	0	261.680	2.572	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCCOC1	ZINC000814908242	632159827	/nfs/dbraw/zinc/15/98/27/632159827.db2.gz	LCHWXFFCDFZIOL-CYBMUJFWSA-N	-1	0	270.373	2.556	20	30		CFEDRM
C[C@@H]1C(=NOCCC(F)(F)F)CC[C@@H]1CC(=O)[O-]	ZINC000814909311	632160027	/nfs/dbraw/zinc/16/00/27/632160027.db2.gz	GWFLTIMNNJFZLZ-JGVFFNPUSA-N	-1	0	267.247	2.832	20	30		CFEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC[C@@H]1CCOC1	ZINC000814912190	632161569	/nfs/dbraw/zinc/16/15/69/632161569.db2.gz	LQBBMCXJEIABFY-MRVPVSSYSA-N	-1	0	273.691	2.572	20	30		CFEDRM
CC(C)c1nccnc1N=NCc1cccc(C(=O)[O-])c1	ZINC000814916365	632163282	/nfs/dbraw/zinc/16/32/82/632163282.db2.gz	GYFQDRMAVIWYQP-UHFFFAOYSA-N	-1	0	284.319	2.744	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1csc(C(=O)[O-])c1	ZINC000814927347	632168102	/nfs/dbraw/zinc/16/81/02/632168102.db2.gz	KCUNYLULLXPELV-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
C=CCNN=C(C)CCc1ccc(OCCC(=O)[O-])cc1	ZINC000814927891	632168209	/nfs/dbraw/zinc/16/82/09/632168209.db2.gz	LVCDKOYKUPAGAF-UHFFFAOYSA-N	-1	0	290.363	2.624	20	30		CFEDRM
C=C(C)CNN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814932204	632170405	/nfs/dbraw/zinc/17/04/05/632170405.db2.gz	AHDJTUMDBNJBAG-NEPJUHHUSA-N	-1	0	252.358	2.665	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCC1CCCC1	ZINC000814933717	632171960	/nfs/dbraw/zinc/17/19/60/632171960.db2.gz	YDUIFRUUBSOSSP-JQWIXIFHSA-N	-1	0	252.358	2.643	20	30		CFEDRM
C#CCON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814936281	632173667	/nfs/dbraw/zinc/17/36/67/632173667.db2.gz	IMLRRCMJCFLLRY-UHFFFAOYSA-N	-1	0	285.299	2.742	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCC2CC2)c1Cl	ZINC000814941037	632176453	/nfs/dbraw/zinc/17/64/53/632176453.db2.gz	MCXRAIYTIBFGHO-UHFFFAOYSA-N	-1	0	253.685	2.799	20	30		CFEDRM
O=C([O-])CNN=C1CCCSc2ccc(Cl)cc21	ZINC000814959135	632179556	/nfs/dbraw/zinc/17/95/56/632179556.db2.gz	PDSTZNOTNKHETI-UHFFFAOYSA-N	-1	0	284.768	2.604	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(-c2ccccc2)s1	ZINC000814960227	632180411	/nfs/dbraw/zinc/18/04/11/632180411.db2.gz	ILRPIKGCDJNJHO-UHFFFAOYSA-N	-1	0	274.345	2.813	20	30		CFEDRM
C[C@H]1OCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@@H]1C	ZINC000844564786	632247833	/nfs/dbraw/zinc/24/78/33/632247833.db2.gz	GPGAUSFHNXBULQ-HTQZYQBOSA-N	-1	0	282.727	2.861	20	30		CFEDRM
Cc1c(N=NC(C)[C@@H]2CCCOC2)cccc1C(=O)[O-]	ZINC000844623913	632267643	/nfs/dbraw/zinc/26/76/43/632267643.db2.gz	NWHJWWSDIGCYKH-GFCCVEGCSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(N=NC2CCS[C@@H]2C)cccc1C(=O)[O-]	ZINC000844623986	632267883	/nfs/dbraw/zinc/26/78/83/632267883.db2.gz	RMPZAGXKGIMHSJ-SECBINFHSA-N	-1	0	264.350	2.987	20	30		CFEDRM
Cc1c(N=NC(C)[C@@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844623802	632267976	/nfs/dbraw/zinc/26/79/76/632267976.db2.gz	MCQDRUZQKQDOAQ-LLVKDONJSA-N	-1	0	262.309	2.518	20	30		CFEDRM
C=CCOCCSCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000844645087	632273867	/nfs/dbraw/zinc/27/38/67/632273867.db2.gz	PWRHQSSASLAPBA-UHFFFAOYSA-N	-1	0	269.322	2.736	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc[nH]c1C(C)C	ZINC000845444566	632436483	/nfs/dbraw/zinc/43/64/83/632436483.db2.gz	YQVNLPIKMCCAKU-ZDUSSCGKSA-N	-1	0	289.379	2.767	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc(-c2ccccc2)oc1C	ZINC000846263698	632676627	/nfs/dbraw/zinc/67/66/27/632676627.db2.gz	SLTQJPMEBRXIBN-UHFFFAOYSA-N	-1	0	286.331	2.723	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(C2CCCC2)n1	ZINC000846263343	632677239	/nfs/dbraw/zinc/67/72/39/632677239.db2.gz	ITYHWKYBOHKZNI-UHFFFAOYSA-N	-1	0	280.393	2.873	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](c1cccc(Cl)c1)N(C)C	ZINC000846537763	632726769	/nfs/dbraw/zinc/72/67/69/632726769.db2.gz	CSMWYYAEMCQHRO-ZDUSSCGKSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccc2c(c1)CCC2	ZINC000846539654	632728423	/nfs/dbraw/zinc/72/84/23/632728423.db2.gz	CEZAEHPXPAZIRB-UHFFFAOYSA-N	-1	0	277.389	2.891	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccccc1Cl	ZINC000846542771	632730406	/nfs/dbraw/zinc/73/04/06/632730406.db2.gz	BUARELNDAXEDQJ-NXEZZACHSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(/C=C/C)cc1OC	ZINC000846542043	632730814	/nfs/dbraw/zinc/73/08/14/632730814.db2.gz	SKSVELXTJPJXCC-HOSRBBHYSA-N	-1	0	291.347	2.729	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1F	ZINC000846546946	632735576	/nfs/dbraw/zinc/73/55/76/632735576.db2.gz	MNNVAABPZJZDPC-JQWIXIFHSA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1SCCc2ccccc21	ZINC000846549889	632738784	/nfs/dbraw/zinc/73/87/84/632738784.db2.gz	ZZSLXUICVFRADY-GWCFXTLKSA-N	-1	0	263.362	2.639	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)[C@@H]1OCCc2sccc21	ZINC000846552441	632739616	/nfs/dbraw/zinc/73/96/16/632739616.db2.gz	HSPBQZWPHKNMAF-CWSCBRNRSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000846552781	632740638	/nfs/dbraw/zinc/74/06/38/632740638.db2.gz	PPDZLMAGQVFTHM-SNVBAGLBSA-N	-1	0	276.311	2.597	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846554900	632742048	/nfs/dbraw/zinc/74/20/48/632742048.db2.gz	LLKGWMWTULZXPD-BLLLJJGKSA-N	-1	0	295.379	2.677	20	30		CFEDRM
C=CCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000846715544	632779779	/nfs/dbraw/zinc/77/97/79/632779779.db2.gz	GTEHVJWCSRJHMD-KGLIPLIRSA-N	-1	0	273.332	2.772	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NCCC(C)(C)C(=O)[O-]	ZINC000818617628	632881046	/nfs/dbraw/zinc/88/10/46/632881046.db2.gz	DVWBNZFSRAQQTJ-UHFFFAOYSA-N	-1	0	274.320	2.674	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000848280576	633230293	/nfs/dbraw/zinc/23/02/93/633230293.db2.gz	IPLMLQIEIOLRPU-SECBINFHSA-N	-1	0	281.714	2.670	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCC23CCOCC3)cc1	ZINC000848413965	633252880	/nfs/dbraw/zinc/25/28/80/633252880.db2.gz	GBKWDVOPSYHUEN-UHFFFAOYSA-N	-1	0	288.347	2.672	20	30		CFEDRM
CSCCCCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415096	633253224	/nfs/dbraw/zinc/25/32/24/633253224.db2.gz	VWJQPEOIVYCPRY-UHFFFAOYSA-N	-1	0	266.366	2.855	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccc(F)c(F)c1	ZINC000848414751	633253335	/nfs/dbraw/zinc/25/33/35/633253335.db2.gz	BZYTWQFXLPWYMN-MWLCHTKSSA-N	-1	0	296.317	2.931	20	30		CFEDRM
CO[C@H](C/N=C/c1cc(Cl)ccc1O)[C@@H]1CCOC1	ZINC000849170796	633577833	/nfs/dbraw/zinc/57/78/33/633577833.db2.gz	UMUIQZNNDBHFCG-NFHZFKPCSA-N	-1	0	283.755	2.516	20	30		CFEDRM
C[C@@H]1CCC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000849171864	633578788	/nfs/dbraw/zinc/57/87/88/633578788.db2.gz	HPIYNZFIUBMKPM-KHMKNBLBSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850751319	634079257	/nfs/dbraw/zinc/07/92/57/634079257.db2.gz	AGGMEUBQBSXXMR-SECBINFHSA-N	-1	0	282.340	2.516	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(C)C)c1	ZINC000850762612	634081837	/nfs/dbraw/zinc/08/18/37/634081837.db2.gz	ZUXFBSDFWOBGIP-AWEZNQCLSA-N	-1	0	272.348	2.657	20	30		CFEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C2CC2)cc1	ZINC000850898281	634127390	/nfs/dbraw/zinc/12/73/90/634127390.db2.gz	DBNQSCFDGDOKOQ-CQSZACIVSA-N	-1	0	293.326	2.503	20	30		CFEDRM
Cn1ncc(C2CCC2)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000853252519	634952361	/nfs/dbraw/zinc/95/23/61/634952361.db2.gz	PKTVHUJVKKWUPA-UHFFFAOYSA-N	-1	0	298.346	2.832	20	30		CFEDRM
CC(CSCCF)N=Nc1cccc(C(=O)[O-])c1	ZINC000853258642	634954003	/nfs/dbraw/zinc/95/40/03/634954003.db2.gz	XPQORJOXAMNGJO-UHFFFAOYSA-N	-1	0	270.329	2.875	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1C[C@H]2C[C@H]2C1	ZINC000853325245	634969340	/nfs/dbraw/zinc/96/93/40/634969340.db2.gz	JPPFUVKFVMNONB-YHPBZONMSA-N	-1	0	274.320	2.837	20	30		CFEDRM
C[C@@H](NN=C1C(=O)Nc2cc([O-])c(Cl)cc21)C(C)(C)C	ZINC000853349723	634979935	/nfs/dbraw/zinc/97/99/35/634979935.db2.gz	GNEXZALUANZEIJ-SSDOTTSWSA-N	-1	0	295.770	2.726	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2COC3(CCC3)C2)c(F)c1	ZINC000853355304	634982289	/nfs/dbraw/zinc/98/22/89/634982289.db2.gz	KYZBFGCSRACSQD-UHFFFAOYSA-N	-1	0	278.283	2.635	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@]1(c2ccccc2)CC1(C)C	ZINC000855026484	635445491	/nfs/dbraw/zinc/44/54/91/635445491.db2.gz	GIKGGCUBECBJSE-WBMJQRKESA-N	-1	0	259.349	2.977	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CC1	ZINC000855582290	635590729	/nfs/dbraw/zinc/59/07/29/635590729.db2.gz	DNDJPANCVUVXBK-MRVPVSSYSA-N	-1	0	287.344	2.633	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccc2c(c1)CCC2	ZINC000856028409	635704003	/nfs/dbraw/zinc/70/40/03/635704003.db2.gz	HKHGWGPIWHRSII-UHFFFAOYSA-N	-1	0	277.389	2.891	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)SCc1ccccc1	ZINC000856030688	635706335	/nfs/dbraw/zinc/70/63/35/635706335.db2.gz	MJLOCTVSECVGHR-GFCCVEGCSA-N	-1	0	265.378	2.932	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1CCSc2ccccc21	ZINC000856032685	635708007	/nfs/dbraw/zinc/70/80/07/635708007.db2.gz	SLPZRRUMJQHVAO-GFCCVEGCSA-N	-1	0	263.362	2.890	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@@H]1CCCC[C@H]1CC	ZINC000856033416	635708954	/nfs/dbraw/zinc/70/89/54/635708954.db2.gz	GJGWXUSNLBIYDE-CHWSQXEVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
CC[C@H](C#N)Oc1cccc(C[N-]C(=O)C(F)(F)F)c1	ZINC000113919509	635721628	/nfs/dbraw/zinc/72/16/28/635721628.db2.gz	MSXGWKDSHFSKFR-SNVBAGLBSA-N	-1	0	286.253	2.546	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2CC2(F)F)c1	ZINC000856717061	635838143	/nfs/dbraw/zinc/83/81/43/635838143.db2.gz	BQHNOQQJZUEKSC-NEFPKRPYSA-N	-1	0	270.235	2.765	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCOCC2)cc1F	ZINC000857209533	635947221	/nfs/dbraw/zinc/94/72/21/635947221.db2.gz	BBZFLRLOQNFQLZ-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2/Oc3cc(O)ccc3C2=O)c1	ZINC000158300996	650223871	/nfs/dbraw/zinc/22/38/71/650223871.db2.gz	JEHMGYNWHYVUFO-VGOFMYFVSA-N	-1	0	282.251	2.707	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000048453188	650266536	/nfs/dbraw/zinc/26/65/36/650266536.db2.gz	CKGAMXKWTJHDFC-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000048472150	650268309	/nfs/dbraw/zinc/26/83/09/650268309.db2.gz	PTCKJMUYFGXZDC-JTQLQIEISA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)c1	ZINC000048511268	650269109	/nfs/dbraw/zinc/26/91/09/650269109.db2.gz	PNLTTZHAVLZBFJ-UHFFFAOYSA-N	-1	0	293.344	2.866	20	30		CFEDRM
O=C(/C=C/c1cccc(O)c1)c1ccc(O)cc1[O-]	ZINC000049046093	650285966	/nfs/dbraw/zinc/28/59/66/650285966.db2.gz	WKMQGQZPDSFACZ-QPJJXVBHSA-N	-1	0	256.257	2.700	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc(C(F)F)c1	ZINC000860477363	636893507	/nfs/dbraw/zinc/89/35/07/636893507.db2.gz	GLDONEABWWNMMN-JTQLQIEISA-N	-1	0	296.273	2.598	20	30		CFEDRM
COC1CCC(CN=Nc2ccccc2C(=O)[O-])CC1	ZINC000863075509	637550375	/nfs/dbraw/zinc/55/03/75/637550375.db2.gz	QSVYXRNLMLKXFC-UHFFFAOYSA-N	-1	0	276.336	2.988	20	30		CFEDRM
Cc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)n1	ZINC000863160386	637574537	/nfs/dbraw/zinc/57/45/37/637574537.db2.gz	BVQWHKBWAHKIDR-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
CCCCCCCNC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000864158824	637896922	/nfs/dbraw/zinc/89/69/22/637896922.db2.gz	HMNHTSHUPFWKBG-UHFFFAOYSA-N	-1	0	278.352	2.788	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000864166776	637900181	/nfs/dbraw/zinc/90/01/81/637900181.db2.gz	TUNNIHUNKJTAJQ-IUODEOHRSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000864184782	637907315	/nfs/dbraw/zinc/90/73/15/637907315.db2.gz	SQBBXCXRYLEHHI-YPMHNXCESA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000864184668	637907458	/nfs/dbraw/zinc/90/74/58/637907458.db2.gz	RWEYZYWGUZRJQK-GHMZBOCLSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000864185895	637907584	/nfs/dbraw/zinc/90/75/84/637907584.db2.gz	FKBYAFAGRIJDMQ-GXSJLCMTSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000864185446	637907778	/nfs/dbraw/zinc/90/77/78/637907778.db2.gz	YUNVTOOXDPSIMD-CABZTGNLSA-N	-1	0	299.729	2.641	20	30		CFEDRM
CO[C@H]1C[C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000864345546	637946072	/nfs/dbraw/zinc/94/60/72/637946072.db2.gz	ABEASCWQLZCSLR-GMCCJOLWSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C=C(Cl)C[C@@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000864519012	638010215	/nfs/dbraw/zinc/01/02/15/638010215.db2.gz	ASGZWHKJSUKVJE-SECBINFHSA-N	-1	0	288.800	2.952	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000864584124	638034168	/nfs/dbraw/zinc/03/41/68/638034168.db2.gz	LEDRVVBGLDYSCX-SECBINFHSA-N	-1	0	288.756	2.774	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-]	ZINC000205032079	638103808	/nfs/dbraw/zinc/10/38/08/638103808.db2.gz	XRAHHIWSKGILGK-BAQGIRSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000076766046	650402226	/nfs/dbraw/zinc/40/22/26/650402226.db2.gz	SBIWTUAGEZLIAM-LLVKDONJSA-N	-1	0	269.366	2.909	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1ccc(C)s1)C(=O)[O-]	ZINC000865214076	638225438	/nfs/dbraw/zinc/22/54/38/638225438.db2.gz	MTXGZISEQBIHTE-MRVPVSSYSA-N	-1	0	288.756	2.774	20	30		CFEDRM
O=C([N-]S(=O)(=O)N1CCCC1)C1CCCCCCC1	ZINC000076877417	650408458	/nfs/dbraw/zinc/40/84/58/650408458.db2.gz	LBSLVAPKDTZKRO-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)C1=COCCC1	ZINC000076905723	650410346	/nfs/dbraw/zinc/41/03/46/650410346.db2.gz	HQSAVEANKIHZIJ-UHFFFAOYSA-N	-1	0	287.381	2.547	20	30		CFEDRM
C[C@@H](NC1(C(F)F)CC1)c1cccc(C#N)c1[O-]	ZINC000866354556	638803196	/nfs/dbraw/zinc/80/31/96/638803196.db2.gz	PCRGIFRSIRTHJX-MRVPVSSYSA-N	-1	0	252.264	2.712	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2nccc3ccccc32)CC1	ZINC000868764716	638976519	/nfs/dbraw/zinc/97/65/19/638976519.db2.gz	YHCUYVAZTBCTCZ-UHFFFAOYSA-N	-1	0	268.316	2.500	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1Cc2ccc(Cl)cc21	ZINC000869154500	639050867	/nfs/dbraw/zinc/05/08/67/639050867.db2.gz	UAQZWDMAZIKDSD-PRHODGIISA-N	-1	0	251.713	2.602	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)OCc1cccc(C)c1	ZINC000869154092	639051090	/nfs/dbraw/zinc/05/10/90/639051090.db2.gz	LWYCJEDEXDSBOS-OLZOCXBDSA-N	-1	0	263.337	2.522	20	30		CFEDRM
C[C@@H]1CCC[C@@H](CC(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000122525636	639184209	/nfs/dbraw/zinc/18/42/09/639184209.db2.gz	XVGJBEMXFODJBC-JHJVBQTASA-N	-1	0	287.363	2.528	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1sc(C)cc1C	ZINC000870135006	639527321	/nfs/dbraw/zinc/52/73/21/639527321.db2.gz	RDZRPFATDAINSJ-LBPRGKRZSA-N	-1	0	292.404	2.994	20	30		CFEDRM
COCCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCC1	ZINC000870690657	639773445	/nfs/dbraw/zinc/77/34/45/639773445.db2.gz	BUOUEKCBFRTTPZ-UHFFFAOYSA-N	-1	0	288.347	2.565	20	30		CFEDRM
C[C@H]1CCCC[C@@H]1OCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692740	639774518	/nfs/dbraw/zinc/77/45/18/639774518.db2.gz	MFQBDLGCQIGOPF-WFASDCNBSA-N	-1	0	288.347	2.564	20	30		CFEDRM
COC(=O)c1ccc(C=CC(=O)c2sccc2[O-])o1	ZINC000193148810	650628229	/nfs/dbraw/zinc/62/82/29/650628229.db2.gz	WUJMPYDDIFUNGG-DUXPYHPUSA-N	-1	0	278.285	2.729	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCC(C)(C)C	ZINC000123339597	641091786	/nfs/dbraw/zinc/09/17/86/641091786.db2.gz	ROTJQJYXGBPXSY-LLVKDONJSA-N	-1	0	275.352	2.528	20	30		CFEDRM
COCC(C)(C)CC/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000871597461	641363090	/nfs/dbraw/zinc/36/30/90/641363090.db2.gz	QTPVMTKCNCVIGN-DHDCSXOGSA-N	-1	0	280.324	2.782	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000871647107	641380538	/nfs/dbraw/zinc/38/05/38/641380538.db2.gz	YUJNQEFAGQUXJB-LLVKDONJSA-N	-1	0	282.384	2.626	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000872324428	641756807	/nfs/dbraw/zinc/75/68/07/641756807.db2.gz	RHXRIEURCOGTLT-GFCCVEGCSA-N	-1	0	276.336	2.989	20	30		CFEDRM
[O-]c1c(C=NNCCC(F)(F)F)ccc(F)c1F	ZINC000872369761	641775378	/nfs/dbraw/zinc/77/53/78/641775378.db2.gz	KJRVHPQBIZWDIT-UHFFFAOYSA-N	-1	0	268.185	2.546	20	30		CFEDRM
CC[C@H](NN=Cc1cc2c(ccnc2Cl)s1)C(=O)[O-]	ZINC000872377012	641780442	/nfs/dbraw/zinc/78/04/42/641780442.db2.gz	WSWVDRJHTFGGQP-VIFPVBQESA-N	-1	0	297.767	2.736	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNC[C@H]1CCCC1(F)F	ZINC000872405174	641793923	/nfs/dbraw/zinc/79/39/23/641793923.db2.gz	HHWIPIRXAWNMEP-SNVBAGLBSA-N	-1	0	299.277	2.659	20	30		CFEDRM
O=C([O-])C1CCC(=NNC[C@H]2CCCC2(F)F)CC1	ZINC000872405519	641795305	/nfs/dbraw/zinc/79/53/05/641795305.db2.gz	BFTKBLYXTGUMKX-QVDQXJPCSA-N	-1	0	274.311	2.642	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000080667897	650702990	/nfs/dbraw/zinc/70/29/90/650702990.db2.gz	NTSZDRKIDXRZEZ-UHFFFAOYSA-N	-1	0	259.302	2.579	20	30		CFEDRM
C=CCCCCCNC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872875686	641953885	/nfs/dbraw/zinc/95/38/85/641953885.db2.gz	DNTQYKVLFRAILZ-UHFFFAOYSA-N	-1	0	265.353	2.804	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000873005273	641982585	/nfs/dbraw/zinc/98/25/85/641982585.db2.gz	NWJPSRDJUJTISZ-CHWSQXEVSA-N	-1	0	279.380	2.762	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)C[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000873004508	641982657	/nfs/dbraw/zinc/98/26/57/641982657.db2.gz	KXTDDSGAHDBVHV-BPUTZDHNSA-N	-1	0	299.370	2.553	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])CC1	ZINC000873004784	641982812	/nfs/dbraw/zinc/98/28/12/641982812.db2.gz	MZDGFTIOUNDOFU-HDJSIYSDSA-N	-1	0	299.370	2.923	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F	ZINC000873564729	642251216	/nfs/dbraw/zinc/25/12/16/642251216.db2.gz	YTZZHRGQCFZPPM-JTQLQIEISA-N	-1	0	299.367	2.545	20	30		CFEDRM
C=CCCCCNC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874397875	642378455	/nfs/dbraw/zinc/37/84/55/642378455.db2.gz	KUENRNOADRETKP-UHFFFAOYSA-N	-1	0	276.336	2.540	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000874407270	642380581	/nfs/dbraw/zinc/38/05/81/642380581.db2.gz	XNPQEZZFVZYORX-UHFFFAOYSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)[N-]Oc1ccccc1F)OCC	ZINC000874912320	642551313	/nfs/dbraw/zinc/55/13/13/642551313.db2.gz	SZYLYOHVHFVADD-CYBMUJFWSA-N	-1	0	267.300	2.607	20	30		CFEDRM
N#Cc1cc2ccccc2nc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085329715	650789115	/nfs/dbraw/zinc/78/91/15/650789115.db2.gz	MHBCAHFMFRTVIS-OCCSQVGLSA-N	-1	0	281.315	2.772	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1C	ZINC000086054813	650794539	/nfs/dbraw/zinc/79/45/39/650794539.db2.gz	PVQAIVXQARJPEA-UHFFFAOYSA-N	-1	0	281.377	2.880	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054798	650794569	/nfs/dbraw/zinc/79/45/69/650794569.db2.gz	YQLFGSNNNQQZSI-SNVBAGLBSA-N	-1	0	257.355	2.572	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)ccc1F	ZINC000086054879	650794609	/nfs/dbraw/zinc/79/46/09/650794609.db2.gz	APDMPNFNHKIJNN-UHFFFAOYSA-N	-1	0	285.340	2.711	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F	ZINC000088800453	650819896	/nfs/dbraw/zinc/81/98/96/650819896.db2.gz	SJLCGUSVYAEMFH-UHFFFAOYSA-N	-1	0	291.319	2.594	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1cccs1	ZINC000088799648	650820038	/nfs/dbraw/zinc/82/00/38/650820038.db2.gz	GQMMDHCVPLSBPW-UHFFFAOYSA-N	-1	0	257.336	2.504	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)c1	ZINC000088800233	650820107	/nfs/dbraw/zinc/82/01/07/650820107.db2.gz	LAYIOBGJRHJIGN-UHFFFAOYSA-N	-1	0	265.334	2.751	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877312516	643233294	/nfs/dbraw/zinc/23/32/94/643233294.db2.gz	JNLSQZLGNYLJIC-AWEZNQCLSA-N	-1	0	266.291	2.796	20	30		CFEDRM
C[C@@H](C#N)CN(Cc1nnc(-c2ccccc2O)o1)C1CC1	ZINC000878298918	643828324	/nfs/dbraw/zinc/82/83/24/643828324.db2.gz	KYUSURQWHYIJCP-NSHDSACASA-N	-1	0	298.346	2.566	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1	ZINC000091127367	650892823	/nfs/dbraw/zinc/89/28/23/650892823.db2.gz	OPZWBKMKZJWHTO-MFKMUULPSA-N	-1	0	297.376	2.775	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(CC)c(CCC)s1	ZINC000092462421	650920557	/nfs/dbraw/zinc/92/05/57/650920557.db2.gz	NDISWIRJDCPLTN-UHFFFAOYSA-N	-1	0	295.404	2.976	20	30		CFEDRM
C=CCCC[C@H](C(=O)[N-]OC(C)(C)CO)c1ccccc1	ZINC000880264990	644620265	/nfs/dbraw/zinc/62/02/65/644620265.db2.gz	PCIOIXFVVWOXRR-HNNXBMFYSA-N	-1	0	291.391	2.945	20	30		CFEDRM
CCc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)o1	ZINC000128833422	644913003	/nfs/dbraw/zinc/91/30/03/644913003.db2.gz	OAICQEPWCICXSW-ZDUSSCGKSA-N	-1	0	288.347	2.532	20	30		CFEDRM
CC(C)[C@@H](O)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000882984133	645541806	/nfs/dbraw/zinc/54/18/06/645541806.db2.gz	XPJJUDGUXUYNFY-ZDUSSCGKSA-N	-1	0	293.411	2.749	20	30		CFEDRM
C=CC[C@@H](C)OC(=O)c1ccc(N)c(Cl)c1O	ZINC000884564976	646455838	/nfs/dbraw/zinc/45/58/38/646455838.db2.gz	WZXMUMUOSSTHRZ-SSDOTTSWSA-N	-1	0	255.701	2.749	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(O)c1	ZINC000220386129	647117507	/nfs/dbraw/zinc/11/75/07/647117507.db2.gz	DJOOWMQTMGMOFZ-ALCCZGGFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
Cc1oc(NC(=O)c2ccc(C#N)c([O-])c2)nc1C1CC1	ZINC000887241399	647247523	/nfs/dbraw/zinc/24/75/23/647247523.db2.gz	PTIMRGJNTNIDGP-UHFFFAOYSA-N	-1	0	283.287	2.690	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])C1CCCC1	ZINC000887327187	647272799	/nfs/dbraw/zinc/27/27/99/647272799.db2.gz	ZLIJMWOSEGIQMJ-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#C[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2O)C1	ZINC000928211423	648872938	/nfs/dbraw/zinc/87/29/38/648872938.db2.gz	HIYCPQUYEOPRHK-NSHDSACASA-N	-1	0	296.326	2.627	20	30		CFEDRM
C#CCN(C(=O)c1cccc(F)c1[O-])C1CCCCC1	ZINC000930958216	649355719	/nfs/dbraw/zinc/35/57/19/649355719.db2.gz	ABGBVTCOIZVFRU-UHFFFAOYSA-N	-1	0	275.323	2.939	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1cccc(F)c1[O-]	ZINC000931110721	649381568	/nfs/dbraw/zinc/38/15/68/649381568.db2.gz	FKWKPHKLKXBHIO-UHFFFAOYSA-N	-1	0	277.217	2.722	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cccc(F)c1[O-]	ZINC000932060129	649530545	/nfs/dbraw/zinc/53/05/45/649530545.db2.gz	MTRLKQSRMXVADQ-UHFFFAOYSA-N	-1	0	278.327	2.933	20	30		CFEDRM
N#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000932379542	649588430	/nfs/dbraw/zinc/58/84/30/649588430.db2.gz	QNNLZZQPUIPNPG-JTQLQIEISA-N	-1	0	285.130	2.731	20	30		CFEDRM
Cn1c(C=NNc2ccc(C(=O)[O-])cc2)nc2ccccc21	ZINC000254385310	651087205	/nfs/dbraw/zinc/08/72/05/651087205.db2.gz	JHLFIHVCNGBQIZ-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
O=C(/C=C/c1csnn1)c1ccc([O-])c(Cl)c1	ZINC000119258867	651297009	/nfs/dbraw/zinc/29/70/09/651297009.db2.gz	YENUADUQMZFDKL-DUXPYHPUSA-N	-1	0	266.709	2.793	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(F)cc(F)c2[O-])c1	ZINC001243500692	782237495	/nfs/dbraw/zinc/23/74/95/782237495.db2.gz	RSDPWTZOJSIUPF-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
Cc1cnc(-c2cc(F)cc(F)c2[O-])c(/C=N/O)c1	ZINC001243502796	782238919	/nfs/dbraw/zinc/23/89/19/782238919.db2.gz	BBXLYVCYYPNHIZ-UBKPWBPPSA-N	-1	0	264.231	2.849	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)nc1F	ZINC001243511568	782247138	/nfs/dbraw/zinc/24/71/38/782247138.db2.gz	HDMJTQBLTVYNQX-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1ccnc(-c2ccc(Cl)c([O-])c2)c1C#N	ZINC001243576778	782288466	/nfs/dbraw/zinc/28/84/66/782288466.db2.gz	MYFHBZXURKVORO-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
N#Cc1cncc(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209884846	770154883	/nfs/dbraw/zinc/15/48/83/770154883.db2.gz	DJDVDVXPWJIKPH-UHFFFAOYSA-N	-1	0	257.224	2.534	20	30		CFEDRM
N#Cc1cc(F)ccc1Nc1cccc(S(=O)(=O)[O-])c1	ZINC001210554247	770311290	/nfs/dbraw/zinc/31/12/90/770311290.db2.gz	GDNLGULEKJIUIE-UHFFFAOYSA-N	-1	0	292.291	2.688	20	30		CFEDRM
Cc1cc(Nc2cc(C#N)ccn2)cc(C(=O)[O-])c1	ZINC001211535031	770827567	/nfs/dbraw/zinc/82/75/67/770827567.db2.gz	KWKFGUZWFHZGKZ-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
Cc1ncsc1/C=C\C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000588522374	770927871	/nfs/dbraw/zinc/92/78/71/770927871.db2.gz	UKVMETBFKMRACC-PLNGDYQASA-N	-1	0	285.328	2.681	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc([N+](=O)[O-])c1	ZINC000176392834	773220490	/nfs/dbraw/zinc/22/04/90/773220490.db2.gz	FKRCBVUTXXKLNZ-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CCc1nn(C)cc1C=CC(=O)c1sccc1[O-]	ZINC000588598869	775262406	/nfs/dbraw/zinc/26/24/06/775262406.db2.gz	IVYASTXSKCJURO-PLNGDYQASA-N	-1	0	262.334	2.646	20	30		CFEDRM
C=CC[C@@H](OCCCC[P@@](=O)([O-])O)C(C)C	ZINC001225019077	775336178	/nfs/dbraw/zinc/33/61/78/775336178.db2.gz	QPNAXSYBCQWFIJ-LLVKDONJSA-N	-1	0	250.275	2.562	20	30		CFEDRM
C#C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225562182	775502272	/nfs/dbraw/zinc/50/22/72/775502272.db2.gz	FPBSNJYGBVXLCK-SNVBAGLBSA-N	-1	0	260.680	2.589	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCOc2ccccc21	ZINC001226009306	775666324	/nfs/dbraw/zinc/66/63/24/775666324.db2.gz	VDKGPLCNURLNHY-CYBMUJFWSA-N	-1	0	286.262	2.701	20	30		CFEDRM
COc1cccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c1	ZINC001226008128	775666418	/nfs/dbraw/zinc/66/64/18/775666418.db2.gz	DTZPVVZKCOSLSU-VIFPVBQESA-N	-1	0	288.278	2.947	20	30		CFEDRM
CC(=O)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226007917	775666638	/nfs/dbraw/zinc/66/66/38/775666638.db2.gz	BLRDENAJPLVJRT-ZDUSSCGKSA-N	-1	0	286.262	2.507	20	30		CFEDRM
CC(C)[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(F)(F)F	ZINC001226012791	775667255	/nfs/dbraw/zinc/66/72/55/775667255.db2.gz	FZZRZXXQJSYIDM-QMMMGPOBSA-N	-1	0	278.205	2.764	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H](C#N)c1cccc(F)c1	ZINC001226015053	775669209	/nfs/dbraw/zinc/66/92/09/775669209.db2.gz	FFGDEJYCVRXKQJ-LBPRGKRZSA-N	-1	0	287.225	2.581	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCOc3ccccc32)c1C#N	ZINC001226221032	775740897	/nfs/dbraw/zinc/74/08/97/775740897.db2.gz	GQZOBSULURMHSP-CQSZACIVSA-N	-1	0	282.299	2.870	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cnc3ccccn32)c1C#N	ZINC001226221162	775741317	/nfs/dbraw/zinc/74/13/17/775741317.db2.gz	HUCIHMAWXPAEIZ-NSHDSACASA-N	-1	0	294.314	2.755	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](c2cccnc2)C2CC2)c1C#N	ZINC001226223472	775742339	/nfs/dbraw/zinc/74/23/39/775742339.db2.gz	QBSQQBWKYAWKPR-HNNXBMFYSA-N	-1	0	281.315	2.892	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCc3ccccc3C2)c1C#N	ZINC001226223085	775742819	/nfs/dbraw/zinc/74/28/19/775742819.db2.gz	KRDYOPWDCIDNEI-AWEZNQCLSA-N	-1	0	280.327	2.904	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccncc2F)c1C#N	ZINC001226223809	775742885	/nfs/dbraw/zinc/74/28/85/775742885.db2.gz	UWTFMRGVEAWEIH-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@@H](CC)CCCC	ZINC001226331798	775782859	/nfs/dbraw/zinc/78/28/59/775782859.db2.gz	PSDGVGOHNGKNHU-CMPLNLGQSA-N	-1	0	293.323	2.687	20	30		CFEDRM
C#C[C@H](Oc1[nH]c(=O)nc2ccc(F)cc21)c1ccncc1	ZINC001226407548	775809520	/nfs/dbraw/zinc/80/95/20/775809520.db2.gz	UKTHVRLLGJSMHK-AWEZNQCLSA-N	-1	0	295.273	2.623	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226410557	775811037	/nfs/dbraw/zinc/81/10/37/775811037.db2.gz	SLMZCRWFGDBWGG-LBPRGKRZSA-N	-1	0	298.360	2.600	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2nc(C)[n-]c(=O)c2F)C(C)(C)O1	ZINC001226422888	775814788	/nfs/dbraw/zinc/81/47/88/775814788.db2.gz	BSHFBEJBSTXFDU-ZUZCIYMTSA-N	-1	0	296.342	2.911	20	30		CFEDRM
Cc1nc(O[C@@H](C)c2ccccc2C#N)c(F)c(=O)[n-]1	ZINC001226423445	775817064	/nfs/dbraw/zinc/81/70/64/775817064.db2.gz	IBHKQANBNMYLTQ-QMMMGPOBSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)nnc2C)C1	ZINC001226460400	775832098	/nfs/dbraw/zinc/83/20/98/775832098.db2.gz	CWEYLBSAELEHPL-NEPJUHHUSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556583	775872558	/nfs/dbraw/zinc/87/25/58/775872558.db2.gz	PRLOVABOSDSGFX-PSASIEDQSA-N	-1	0	289.722	2.565	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556359	775873304	/nfs/dbraw/zinc/87/33/04/775873304.db2.gz	LWJXXUJTJSMMTA-MRVPVSSYSA-N	-1	0	277.711	2.565	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226781398	775961019	/nfs/dbraw/zinc/96/10/19/775961019.db2.gz	GHFNRSLLCCKAOO-LURJTMIESA-N	-1	0	284.410	2.507	20	30		CFEDRM
C=C(C)C[C@@H](Oc1nc2ncnc-2c(S)[n-]1)C(=C)C	ZINC001226785722	775962910	/nfs/dbraw/zinc/96/29/10/775962910.db2.gz	NYIZEHWEMLGRDN-SECBINFHSA-N	-1	0	276.365	2.931	20	30		CFEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cn1	ZINC001211655156	776042787	/nfs/dbraw/zinc/04/27/87/776042787.db2.gz	OYSNFOFRPBFIEC-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226976250	776043770	/nfs/dbraw/zinc/04/37/70/776043770.db2.gz	JDDUOGQETCJPOH-NSHDSACASA-N	-1	0	273.336	2.832	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227064603	776081683	/nfs/dbraw/zinc/08/16/83/776081683.db2.gz	PKLYYRJMZWPMFL-SECBINFHSA-N	-1	0	262.313	2.572	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227094464	776093809	/nfs/dbraw/zinc/09/38/09/776093809.db2.gz	BSMVXWWRRPTVDD-VIFPVBQESA-N	-1	0	275.264	2.587	20	30		CFEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)C(=C)C	ZINC001227272609	776166880	/nfs/dbraw/zinc/16/68/80/776166880.db2.gz	DRQCJFSKPWVEOU-NSHDSACASA-N	-1	0	259.309	2.953	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227347601	776181455	/nfs/dbraw/zinc/18/14/55/776181455.db2.gz	RBLWMGIJGOWCGV-RISCZKNCSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227347604	776181613	/nfs/dbraw/zinc/18/16/13/776181613.db2.gz	RBLWMGIJGOWCGV-SMDDNHRTSA-N	-1	0	268.316	2.825	20	30		CFEDRM
N#C[C@@H]1CC[C@@H](Oc2n[n-]c(=O)c(Cl)c2Cl)C1	ZINC001227603125	776239815	/nfs/dbraw/zinc/23/98/15/776239815.db2.gz	DKBMTSMNWZBRIW-PHDIDXHHSA-N	-1	0	274.107	2.560	20	30		CFEDRM
C=CC[C@H](C=C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605879	776241442	/nfs/dbraw/zinc/24/14/42/776241442.db2.gz	RDORVIJUUUWEAM-LURJTMIESA-N	-1	0	261.108	2.999	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715854	776268058	/nfs/dbraw/zinc/26/80/58/776268058.db2.gz	HRCGTYXKPFOXQB-ZJUUUORDSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227743642	776275933	/nfs/dbraw/zinc/27/59/33/776275933.db2.gz	WGLUVEXHJROVSK-NSHDSACASA-N	-1	0	273.292	2.898	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000125587568	776365864	/nfs/dbraw/zinc/36/58/64/776365864.db2.gz	NGUFWZWDZXPNKS-AWEZNQCLSA-N	-1	0	290.363	2.915	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-]	ZINC001228609284	776538840	/nfs/dbraw/zinc/53/88/40/776538840.db2.gz	CGERWYFPYBXCJJ-SNVBAGLBSA-N	-1	0	291.307	2.539	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228677586	776565278	/nfs/dbraw/zinc/56/52/78/776565278.db2.gz	RSUAVHZWQWLBIO-SNVBAGLBSA-N	-1	0	276.340	2.583	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1C#N	ZINC001228900694	776651915	/nfs/dbraw/zinc/65/19/15/776651915.db2.gz	HCCVCOQZTHXCGZ-JTQLQIEISA-N	-1	0	265.272	2.671	20	30		CFEDRM
COc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228902158	776651932	/nfs/dbraw/zinc/65/19/32/776651932.db2.gz	QKUZOPGUIOMOQS-JTQLQIEISA-N	-1	0	270.288	2.807	20	30		CFEDRM
COc1cccc2c1[C@H](Oc1[n-]c(=O)ccc1C#N)CCO2	ZINC001228902757	776653059	/nfs/dbraw/zinc/65/30/59/776653059.db2.gz	UKNCYGGJBGQPCA-CYBMUJFWSA-N	-1	0	298.298	2.570	20	30		CFEDRM
Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228903612	776653069	/nfs/dbraw/zinc/65/30/69/776653069.db2.gz	ZKPODCCCYKSQOM-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C=CC(C=C)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001229622195	776858836	/nfs/dbraw/zinc/85/88/36/776858836.db2.gz	FHNVMBXJESMWDK-CYBMUJFWSA-N	-1	0	289.356	2.700	20	30		CFEDRM
C=C[C@@H](CC)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001229626944	776858944	/nfs/dbraw/zinc/85/89/44/776858944.db2.gz	UWNCGKDHCYOOPH-AAEUAGOBSA-N	-1	0	291.372	2.924	20	30		CFEDRM
C=CC[C@@H](C)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229797355	776893631	/nfs/dbraw/zinc/89/36/31/776893631.db2.gz	YTMPOPAXKADALJ-MRVPVSSYSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1ccccc1-c1nn[nH]n1	ZINC001229952111	776923537	/nfs/dbraw/zinc/92/35/37/776923537.db2.gz	YHLXFELMDBKETP-LLVKDONJSA-N	-1	0	286.411	2.515	20	30		CFEDRM
C#C[C@H](Oc1nc(Cl)[n-]c(=O)n1)[C@@H](CC)CCCC	ZINC001230242129	776964179	/nfs/dbraw/zinc/96/41/79/776964179.db2.gz	YYLJZAIUKLJZCE-UWVGGRQHSA-N	-1	0	283.759	2.828	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230884792	777081642	/nfs/dbraw/zinc/08/16/42/777081642.db2.gz	SBCOYRAGGLNVTJ-JTQLQIEISA-N	-1	0	260.268	2.984	20	30		CFEDRM
C#C[C@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230884878	777082354	/nfs/dbraw/zinc/08/23/54/777082354.db2.gz	HSLFEJHJGPGAKK-MRVPVSSYSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074981	777133910	/nfs/dbraw/zinc/13/39/10/777133910.db2.gz	UUAJYQJWDUTDOV-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=CCC(CC=C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231258639	777179242	/nfs/dbraw/zinc/17/92/42/777179242.db2.gz	BJQJNASASTYYII-UHFFFAOYSA-N	-1	0	264.281	2.903	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226007799	777375829	/nfs/dbraw/zinc/37/58/29/777375829.db2.gz	AASOUOQMWCJRKI-NSHDSACASA-N	-1	0	250.273	2.777	20	30		CFEDRM
CN(CC(=O)c1ccccc1)Cc1cc(C#N)ccc1[O-]	ZINC001232677258	777638259	/nfs/dbraw/zinc/63/82/59/777638259.db2.gz	AFCCAJLUKNGBNA-UHFFFAOYSA-N	-1	0	280.327	2.579	20	30		CFEDRM
N#C[C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-]	ZINC001233078022	777788205	/nfs/dbraw/zinc/78/82/05/777788205.db2.gz	CWBHDTMJCOHSJX-JTQLQIEISA-N	-1	0	252.264	2.548	20	30		CFEDRM
CC#C[C@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233834627	778091242	/nfs/dbraw/zinc/09/12/42/778091242.db2.gz	PHNAOQKBMBLMOQ-NSHDSACASA-N	-1	0	258.273	2.679	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2occc(=O)c12	ZINC001233834605	778091431	/nfs/dbraw/zinc/09/14/31/778091431.db2.gz	PBPKQPXACXOGGM-GWCFXTLKSA-N	-1	0	270.284	2.679	20	30		CFEDRM
C#C[C@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234412613	778219289	/nfs/dbraw/zinc/21/92/89/778219289.db2.gz	SMXJQNWQWDGTHA-ZETCQYMHSA-N	-1	0	282.221	2.755	20	30		CFEDRM
C#C[C@H](Oc1ccc2[n-]c(=S)sc2c1)C(=O)OCC	ZINC001234425362	778224374	/nfs/dbraw/zinc/22/43/74/778224374.db2.gz	SOXBBJKRQTZSBN-JTQLQIEISA-N	-1	0	293.369	2.529	20	30		CFEDRM
C[C@H](Cc1ccco1)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512675	778240718	/nfs/dbraw/zinc/24/07/18/778240718.db2.gz	DBBNYSQFIDNTAU-SNVBAGLBSA-N	-1	0	295.298	2.810	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510513	778241315	/nfs/dbraw/zinc/24/13/15/778241315.db2.gz	BGQOGZSXHAVFEG-SNVBAGLBSA-N	-1	0	255.277	2.550	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@@H]3CCC(F)(F)C3)c2c1	ZINC001234520814	778242017	/nfs/dbraw/zinc/24/20/17/778242017.db2.gz	YAFDRRTYYWACRJ-SECBINFHSA-N	-1	0	291.257	2.774	20	30		CFEDRM
CCC(CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234531339	778246058	/nfs/dbraw/zinc/24/60/58/778246058.db2.gz	YWRUVFYBPREASS-UHFFFAOYSA-N	-1	0	257.293	2.774	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234570318	778255001	/nfs/dbraw/zinc/25/50/01/778255001.db2.gz	WOEFWWFGYKZEEF-SECBINFHSA-N	-1	0	299.168	2.824	20	30		CFEDRM
C#C[C@@H](Oc1nc[nH]c(=O)c1-c1ccccc1)C(C)C	ZINC001234690868	778288651	/nfs/dbraw/zinc/28/86/51/778288651.db2.gz	GTYVKRCCINOJJH-CYBMUJFWSA-N	-1	0	268.316	2.886	20	30		CFEDRM
N#C[C@H]1CC[C@@H](Oc2nc[nH]c(=O)c2-c2ccccc2)C1	ZINC001234690178	778289244	/nfs/dbraw/zinc/28/92/44/778289244.db2.gz	ZQDRWURKLZXDRH-WCQYABFASA-N	-1	0	281.315	2.920	20	30		CFEDRM
C#CC[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234818303	778302278	/nfs/dbraw/zinc/30/22/78/778302278.db2.gz	IRRSUEVVYYRFOZ-LBPRGKRZSA-N	-1	0	272.300	2.988	20	30		CFEDRM
COc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ncc1C#N	ZINC001235027540	778358805	/nfs/dbraw/zinc/35/88/05/778358805.db2.gz	BODJEVJECBNKRO-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
Cc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(/C=N/O)c1	ZINC001235148966	778397472	/nfs/dbraw/zinc/39/74/72/778397472.db2.gz	IZVWTWUZFULNCL-UOMISXDJSA-N	-1	0	282.299	2.963	20	30		CFEDRM
COc1cnc(-c2c(F)ccc(C)c2[O-])c(C#N)c1	ZINC001236390978	778799148	/nfs/dbraw/zinc/79/91/48/778799148.db2.gz	GYJAOJDEPGVYNC-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
COc1ccc(CN2CCC[C@@H](C#N)C2)c([O-])c1Cl	ZINC001236811875	778949173	/nfs/dbraw/zinc/94/91/73/778949173.db2.gz	QOQKLUPUTIGGME-JTQLQIEISA-N	-1	0	280.755	2.790	20	30		CFEDRM
N#Cc1cnccc1-c1ccc(F)c(C(=O)[O-])c1F	ZINC001205095669	779182229	/nfs/dbraw/zinc/18/22/29/779182229.db2.gz	KVZIEWAFHGKSPS-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cc(C#N)c(-c2ccc(C(=O)[O-])cc2)nc1C	ZINC001236053667	779452090	/nfs/dbraw/zinc/45/20/90/779452090.db2.gz	KIMPPDMRUNAAAA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001239255246	779485772	/nfs/dbraw/zinc/48/57/72/779485772.db2.gz	ZQOKNTCKQPLVIB-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1cnccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239353388	779532626	/nfs/dbraw/zinc/53/26/26/779532626.db2.gz	SYNBSYLXRMFXHN-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CC1(c2ccc(-n3[n-]c(=O)c4cc(N)ccc43)cc2)CC1	ZINC001212255485	779532781	/nfs/dbraw/zinc/53/27/81/779532781.db2.gz	BPHIUHXNCBHNIP-UHFFFAOYSA-N	-1	0	290.326	2.868	20	30		CFEDRM
CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000130786014	779558311	/nfs/dbraw/zinc/55/83/11/779558311.db2.gz	NESHCOPXZAUVFY-ZDUSSCGKSA-N	-1	0	290.388	2.564	20	30		CFEDRM
N#Cc1c(F)cc(-c2ccccc2S(=O)(=O)[O-])cc1F	ZINC001239922203	779860388	/nfs/dbraw/zinc/86/03/88/779860388.db2.gz	UHVQVWACLJFXEN-UHFFFAOYSA-N	-1	0	295.266	2.750	20	30		CFEDRM
[O-]/N=C/c1cc(C2=CCOC2)cc(C(F)(F)F)c1	ZINC001239490675	780001617	/nfs/dbraw/zinc/00/16/17/780001617.db2.gz	WFWVDCPISNTSPJ-OMCISZLKSA-N	-1	0	257.211	2.927	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2ccccc2c1	ZINC000130802091	780107427	/nfs/dbraw/zinc/10/74/27/780107427.db2.gz	UOYDYOFWKIWWMF-HNNXBMFYSA-N	-1	0	280.327	2.687	20	30		CFEDRM
N#Cc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1F	ZINC001240547474	780241601	/nfs/dbraw/zinc/24/16/01/780241601.db2.gz	VUJNUNAQFKOCLZ-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
Cc1nnc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1C	ZINC001240547180	780241624	/nfs/dbraw/zinc/24/16/24/780241624.db2.gz	QZKXNNSVIMEYGB-VOTSOKGWSA-N	-1	0	279.299	2.730	20	30		CFEDRM
COc1cc(-c2cc(C)c(C#N)cn2)ccc1C(=O)[O-]	ZINC001240741230	780406784	/nfs/dbraw/zinc/40/67/84/780406784.db2.gz	AJNBDMHZLDKQBQ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2cccc(CC#N)n2)ccc1C(=O)[O-]	ZINC001240742637	780407860	/nfs/dbraw/zinc/40/78/60/780407860.db2.gz	OEWNDMMUVXLVBA-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2cnccc2CC#N)ccc1C(=O)[O-]	ZINC001240746133	780410994	/nfs/dbraw/zinc/41/09/94/780410994.db2.gz	WKSIQOHGLDMAHD-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
C#C[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccccc1	ZINC001143136674	780461129	/nfs/dbraw/zinc/46/11/29/780461129.db2.gz	RQUSYZZYROASAV-AWEZNQCLSA-N	-1	0	287.265	2.775	20	30		CFEDRM
N#Cc1ccc(-c2ccc(CC(=O)[O-])cc2)c(C#N)c1	ZINC001240975397	780564120	/nfs/dbraw/zinc/56/41/20/780564120.db2.gz	MKFWXIPNWDQYHY-UHFFFAOYSA-N	-1	0	262.268	2.724	20	30		CFEDRM
Cc1ccnc(-c2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001240999504	780583535	/nfs/dbraw/zinc/58/35/35/780583535.db2.gz	OLRFYLPKYYIANC-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1cc(C(=O)[O-])ccc1C	ZINC001241000669	780584511	/nfs/dbraw/zinc/58/45/11/780584511.db2.gz	SMYZELZMDRQCLM-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
N#Cc1cnc(-c2c(F)cc([O-])cc2F)c(F)c1	ZINC001241119091	780647436	/nfs/dbraw/zinc/64/74/36/780647436.db2.gz	XDMQIFKIPYKGQM-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241182412	780687110	/nfs/dbraw/zinc/68/71/10/780687110.db2.gz	UIOOGLLQOOAEJG-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001241185129	780689986	/nfs/dbraw/zinc/68/99/86/780689986.db2.gz	MUPJSZGMNJRJPK-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1ccnc(-c2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001241241844	780726551	/nfs/dbraw/zinc/72/65/51/780726551.db2.gz	QOVAEKSEXMARON-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241243568	780728143	/nfs/dbraw/zinc/72/81/43/780728143.db2.gz	LJTQRGDJCWLWOT-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1cccc(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241244076	780728993	/nfs/dbraw/zinc/72/89/93/780728993.db2.gz	WROOHGOZZZKZMJ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241346429	780799527	/nfs/dbraw/zinc/79/95/27/780799527.db2.gz	BESIBLPCQCGXHR-UHFFFAOYSA-N	-1	0	273.679	2.561	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1cccc(C(=O)[O-])c1	ZINC001241358143	780807461	/nfs/dbraw/zinc/80/74/61/780807461.db2.gz	PTXXFEOUMDONEF-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cccc(C(=O)[O-])c3)cn12	ZINC001241358891	780808564	/nfs/dbraw/zinc/80/85/64/780808564.db2.gz	OPKODEAMVROFMS-UHFFFAOYSA-N	-1	0	263.256	2.571	20	30		CFEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC001241359832	780809717	/nfs/dbraw/zinc/80/97/17/780809717.db2.gz	UAVUYLDQCDISSJ-UHFFFAOYSA-N	-1	0	265.272	2.591	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc(C(=O)[O-])c1	ZINC001241360270	780810303	/nfs/dbraw/zinc/81/03/03/780810303.db2.gz	BAXNSDZUGNKMCQ-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
Cc1nc(Nc2cccc([O-])c2F)c(C#N)cc1C#N	ZINC001212546842	781037011	/nfs/dbraw/zinc/03/70/11/781037011.db2.gz	XYCNPMNLUSHNRD-UHFFFAOYSA-N	-1	0	268.251	2.722	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000703727912	781052850	/nfs/dbraw/zinc/05/28/50/781052850.db2.gz	OCRAHMYEQJUWIP-OLZOCXBDSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-]	ZINC000703734703	781053674	/nfs/dbraw/zinc/05/36/74/781053674.db2.gz	NTXREOKGMQKOPO-VIFPVBQESA-N	-1	0	298.305	2.662	20	30		CFEDRM
CCCCCCCNC(=O)c1cc(C(=O)[O-])co1	ZINC000703743369	781053759	/nfs/dbraw/zinc/05/37/59/781053759.db2.gz	DEFASQCVZIBMRO-UHFFFAOYSA-N	-1	0	253.298	2.678	20	30		CFEDRM
N#Cc1cnc2cc(-c3cncc(C(=O)[O-])c3)ccc2c1	ZINC001241803009	781134268	/nfs/dbraw/zinc/13/42/68/781134268.db2.gz	OFCZQINLRWKSQG-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1ncc(-c2cc(F)cc(C(=O)[O-])c2)cc1F	ZINC001241828264	781146550	/nfs/dbraw/zinc/14/65/50/781146550.db2.gz	SMMJLCTVDDRTIM-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cncc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241829163	781146955	/nfs/dbraw/zinc/14/69/55/781146955.db2.gz	VZWZQVNOLBMSJX-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(-c2cnc3c(C#N)c[nH]c3c2)cc1C(=O)[O-]	ZINC001241874408	781161969	/nfs/dbraw/zinc/16/19/69/781161969.db2.gz	CPXXNQZWUIAULK-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(CC#N)ccn1	ZINC001242208482	781327495	/nfs/dbraw/zinc/32/74/95/781327495.db2.gz	NBYATEUXIFUPNQ-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1cnc(-c2cccc(CC(=O)[O-])c2)c(C#N)c1	ZINC001242259955	781346719	/nfs/dbraw/zinc/34/67/19/781346719.db2.gz	KBHFGZGQVHUCOU-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3cccc(CC(=O)[O-])c3)cnc12	ZINC001242264180	781348731	/nfs/dbraw/zinc/34/87/31/781348731.db2.gz	GCMRZKLKYYQADE-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])nc2)c(F)c1	ZINC001242335479	781406379	/nfs/dbraw/zinc/40/63/79/781406379.db2.gz	GPGVJWHJLKYJRM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3cccc(F)c3[O-])cc12	ZINC001242352313	781425253	/nfs/dbraw/zinc/42/52/53/781425253.db2.gz	RJDQWUCOABNBDD-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
COc1nc(-c2cccc(Cl)c2[O-])ccc1C#N	ZINC001242363899	781437488	/nfs/dbraw/zinc/43/74/88/781437488.db2.gz	LGTTWKGGKHJPJH-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
COc1ncc(-c2cccc(Cl)c2[O-])cc1C#N	ZINC001242364786	781437505	/nfs/dbraw/zinc/43/75/05/781437505.db2.gz	OSNSGSNCMZGJNU-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1cccc(C(=O)[O-])c1F	ZINC001242377737	781445465	/nfs/dbraw/zinc/44/54/65/781445465.db2.gz	DZJMLDQTUVNEKW-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cc(-c2cccc(C(=O)[O-])c2F)ccn1	ZINC001242379463	781448424	/nfs/dbraw/zinc/44/84/24/781448424.db2.gz	DOFGLLPBOBAXID-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ncc(C#N)cc1C	ZINC001242387130	781456206	/nfs/dbraw/zinc/45/62/06/781456206.db2.gz	IWWAVVBZRRLUMY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nccc(C)c1C#N	ZINC001242387466	781456574	/nfs/dbraw/zinc/45/65/74/781456574.db2.gz	OVOIASJMONXXOJ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C#N)nc(-c2cccc([O-])c2Cl)c1	ZINC001242799998	781766277	/nfs/dbraw/zinc/76/62/77/781766277.db2.gz	BGABXCQZPHXECH-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
COc1nc(C)c(-c2ccccc2C(=O)[O-])c(C)c1C#N	ZINC001242878338	781818115	/nfs/dbraw/zinc/81/81/15/781818115.db2.gz	KXYQOMYIRPUVHC-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
O=C([O-])c1ccccc1-c1cc(/C=N/O)ccc1F	ZINC001242879678	781819504	/nfs/dbraw/zinc/81/95/04/781819504.db2.gz	BDHCHWTZIAXVIC-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C)c(C#N)c(C)n1	ZINC001242919995	781842239	/nfs/dbraw/zinc/84/22/39/781842239.db2.gz	KGLFDGZBTVVOEQ-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
CC#Cc1cncc(-c2cnc(C(=O)[O-])c(C)c2)c1	ZINC001242941090	781860519	/nfs/dbraw/zinc/86/05/19/781860519.db2.gz	ADKMXBBMVLFZSV-UHFFFAOYSA-N	-1	0	252.273	2.522	20	30		CFEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1c([O-])cccc1F	ZINC000820449511	781868814	/nfs/dbraw/zinc/86/88/14/781868814.db2.gz	UEPUATVVFNLJLS-LBPRGKRZSA-N	-1	0	291.322	2.671	20	30		CFEDRM
C[C@H](CC(=O)[O-])n1cc(-c2ccc(C#N)s2)cn1	ZINC000594873440	349491594	/nfs/dbraw/zinc/49/15/94/349491594.db2.gz	XCOWJDVYMFXZEJ-MRVPVSSYSA-N	-1	0	261.306	2.519	20	30		CFEDRM
CC(C)CN=c1[n-]nc(SCC2(CC#N)CC2)s1	ZINC000594882511	349492862	/nfs/dbraw/zinc/49/28/62/349492862.db2.gz	URFBSFNEHZPUHJ-UHFFFAOYSA-N	-1	0	282.438	2.814	20	30		CFEDRM
CC(C)c1noc(=NCc2ccc(C3(C#N)CC3)cc2)[n-]1	ZINC000594735013	349484094	/nfs/dbraw/zinc/48/40/94/349484094.db2.gz	HVHXDMVWFZMXHA-UHFFFAOYSA-N	-1	0	282.347	2.782	20	30		CFEDRM
CC1(C(=O)[O-])CCN(C(=O)CC2(C#N)CCCCC2)CC1	ZINC000595277940	349589892	/nfs/dbraw/zinc/58/98/92/349589892.db2.gz	RCEGRVKUSLJHIX-UHFFFAOYSA-N	-1	0	292.379	2.564	20	30		CFEDRM
CC(C)(C)C(F)(F)C[N-]S(=O)(=O)CC(C)(C)CC#N	ZINC000595382232	349613170	/nfs/dbraw/zinc/61/31/70/349613170.db2.gz	DMMSBIHSWVVHEQ-UHFFFAOYSA-N	-1	0	296.383	2.527	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(Cl)c(C#N)n1)CC(=O)[O-]	ZINC000595971256	349772818	/nfs/dbraw/zinc/77/28/18/349772818.db2.gz	IJUYFOXUTFSTFL-JTQLQIEISA-N	-1	0	295.770	2.577	20	30		CFEDRM
C[C@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595968162	349772941	/nfs/dbraw/zinc/77/29/41/349772941.db2.gz	GVPMHFISZVWJKT-SSDOTTSWSA-N	-1	0	254.236	2.628	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1ncc(C#N)cc1F)C(=O)[O-]	ZINC000595970380	349772960	/nfs/dbraw/zinc/77/29/60/349772960.db2.gz	WTDQXSCUYCVSLL-LLVKDONJSA-N	-1	0	279.315	2.784	20	30		CFEDRM
C=CCCSCCNc1cccc(C(=O)[O-])n1	ZINC000595968195	349773030	/nfs/dbraw/zinc/77/30/30/349773030.db2.gz	HXMOTJTXNXQGOF-UHFFFAOYSA-N	-1	0	252.339	2.501	20	30		CFEDRM
N#Cc1cc(F)c(NC2CCC(C(=O)[O-])CC2)c(F)c1	ZINC000126925336	187270725	/nfs/dbraw/zinc/27/07/25/187270725.db2.gz	TXKGATHYMCLZBS-UHFFFAOYSA-N	-1	0	280.274	2.892	20	30		CFEDRM
CO[C@@](C)([C@@H](C)N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596271825	349849576	/nfs/dbraw/zinc/84/95/76/349849576.db2.gz	CPEVGRUEPOKDEF-KRTXAFLBSA-N	-1	0	285.800	2.706	20	30		CFEDRM
Cc1nocc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000596261220	349845494	/nfs/dbraw/zinc/84/54/94/349845494.db2.gz	UJDJJOUYESYUQY-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-]	ZINC000668288138	539411627	/nfs/dbraw/zinc/41/16/27/539411627.db2.gz	RUDQKOXEDZEKBJ-OAHLLOKOSA-N	-1	0	287.359	2.642	20	30		CFEDRM
CCCCc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000026270132	346263985	/nfs/dbraw/zinc/26/39/85/346263985.db2.gz	ZANZMWPOANYQAV-UHFFFAOYSA-N	-1	0	293.330	2.748	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1	ZINC000052634171	346526667	/nfs/dbraw/zinc/52/66/67/346526667.db2.gz	AEGQWVQSHNBXGH-UHFFFAOYSA-N	-1	0	289.294	2.652	20	30		CFEDRM
C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000080251463	347351867	/nfs/dbraw/zinc/35/18/67/347351867.db2.gz	ILBWZOKOXWWCJF-NWDGAFQWSA-N	-1	0	296.392	2.943	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c(F)c1	ZINC000080667926	347373538	/nfs/dbraw/zinc/37/35/38/347373538.db2.gz	JZZZXDNHDCPTFK-FNORWQNLSA-N	-1	0	283.324	2.746	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1NCCCCC(=O)[O-]	ZINC000094334663	347695453	/nfs/dbraw/zinc/69/54/53/347695453.db2.gz	YBZMWYFYFDNAPJ-UHFFFAOYSA-N	-1	0	287.241	2.639	20	30		CFEDRM
N#Cc1cc(F)ccc1N1CCC(CCC(=O)[O-])CC1	ZINC000111026139	347750967	/nfs/dbraw/zinc/75/09/67/347750967.db2.gz	ZEIQXJHNBKQFQL-UHFFFAOYSA-N	-1	0	276.311	2.779	20	30		CFEDRM
N#Cc1cc(F)c(N2CCC(CCC(=O)[O-])CC2)c(F)c1	ZINC000126931917	347838252	/nfs/dbraw/zinc/83/82/52/347838252.db2.gz	UMBLMKOAQDYUKM-UHFFFAOYSA-N	-1	0	294.301	2.918	20	30		CFEDRM
N#Cc1cc(Br)ccc1OCCCC(=O)[O-]	ZINC000157456804	348000775	/nfs/dbraw/zinc/00/07/75/348000775.db2.gz	CNLKRUHYAYUVDJ-UHFFFAOYSA-N	-1	0	284.109	2.564	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@H]2CCCc3cc(C#N)ccc32)o1	ZINC000591370727	349013240	/nfs/dbraw/zinc/01/32/40/349013240.db2.gz	JUHWCAMQUPSPDV-AWEZNQCLSA-N	-1	0	282.347	2.976	20	30		CFEDRM
C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C(=O)[O-]	ZINC000592421096	349118581	/nfs/dbraw/zinc/11/85/81/349118581.db2.gz	MTIXGONVCBOBNG-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=C(C)COCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000592978952	349179538	/nfs/dbraw/zinc/17/95/38/349179538.db2.gz	TVYRVZPEUDXJGS-UHFFFAOYSA-N	-1	0	294.307	2.606	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cccc(C2CC2)c1	ZINC000594421551	349416918	/nfs/dbraw/zinc/41/69/18/349416918.db2.gz	ZBPPQHBTAUDNMF-UHFFFAOYSA-N	-1	0	292.342	2.710	20	30		CFEDRM
CC[C@@H](C)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000597974578	350168472	/nfs/dbraw/zinc/16/84/72/350168472.db2.gz	AABABNGVBSFGNZ-SECBINFHSA-N	-1	0	293.392	2.547	20	30		CFEDRM
N#CC1(CNC(=O)c2c([O-])cc(F)cc2F)CCCCC1	ZINC000598310224	350232054	/nfs/dbraw/zinc/23/20/54/350232054.db2.gz	LWGDIKCAQTUELE-UHFFFAOYSA-N	-1	0	294.301	2.874	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCCC1	ZINC000598311853	350232487	/nfs/dbraw/zinc/23/24/87/350232487.db2.gz	TVAMXKDMWXZSKR-UHFFFAOYSA-N	-1	0	294.301	2.874	20	30		CFEDRM
C[C@@]1(C#N)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000598416730	350264279	/nfs/dbraw/zinc/26/42/79/350264279.db2.gz	DCKDRQZVLXTDJQ-ZDUSSCGKSA-N	-1	0	282.702	2.560	20	30		CFEDRM
CCCC[C@H](Sc1cccc(C#N)n1)C(=O)[O-]	ZINC000600674726	350595032	/nfs/dbraw/zinc/59/50/32/350595032.db2.gz	GUAZQQKINYZZNP-JTQLQIEISA-N	-1	0	250.323	2.689	20	30		CFEDRM
C[C@H]1CN(c2c(Cl)cccc2C#N)CC[C@H]1C(=O)[O-]	ZINC000600802126	350614438	/nfs/dbraw/zinc/61/44/38/350614438.db2.gz	SMEAFXVMHPGGDC-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CC(C)[C@H](CCc1ccccc1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601637059	350751629	/nfs/dbraw/zinc/75/16/29/350751629.db2.gz	STLIWNJEBAYBRG-HNNXBMFYSA-N	-1	0	296.374	2.547	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1CCC#N	ZINC000601948648	350815469	/nfs/dbraw/zinc/81/54/69/350815469.db2.gz	XCBSZDOFNWEJIG-MRVPVSSYSA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1[n-]n(-c2cccc(F)c2F)c(=O)c1CCC#N	ZINC000601950080	350816950	/nfs/dbraw/zinc/81/69/50/350816950.db2.gz	UBPUBKWNQRVMJT-VIFPVBQESA-N	-1	0	263.247	2.607	20	30		CFEDRM
Cc1[n-]n(CCCOCc2ccccc2)c(=O)c1CCC#N	ZINC000601954612	350817700	/nfs/dbraw/zinc/81/77/00/350817700.db2.gz	QIQUCZRAOOZDPF-INIZCTEOSA-N	-1	0	299.374	2.731	20	30		CFEDRM
CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CCC[C@@H]1C#N	ZINC000601815373	350783226	/nfs/dbraw/zinc/78/32/26/350783226.db2.gz	FHQPYTMQJSUXPC-GMSGAONNSA-N	-1	0	298.264	2.574	20	30		CFEDRM
Cc1csc(NC(=O)C(C)(C)CCC(=O)[O-])c1C#N	ZINC000601983680	350823040	/nfs/dbraw/zinc/82/30/40/350823040.db2.gz	SAAUVROGZUECRK-UHFFFAOYSA-N	-1	0	280.349	2.758	20	30		CFEDRM
C[C@@H]1OCC[C@@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000601923078	350803059	/nfs/dbraw/zinc/80/30/59/350803059.db2.gz	OJXUWZBJYZGFKZ-NWDGAFQWSA-N	-1	0	291.395	2.767	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)o1	ZINC000601940050	350811282	/nfs/dbraw/zinc/81/12/82/350811282.db2.gz	QSACYVAHTSEOTG-MNOVXSKESA-N	-1	0	286.335	2.630	20	30		CFEDRM
Cc1[n-]n(Cc2cnc3ccccc3c2)c(=O)c1CCC#N	ZINC000601944105	350812766	/nfs/dbraw/zinc/81/27/66/350812766.db2.gz	JUIVGCYMKBNPFH-OAHLLOKOSA-N	-1	0	292.342	2.873	20	30		CFEDRM
C=CCN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1ccccc1	ZINC000602010533	350829537	/nfs/dbraw/zinc/82/95/37/350829537.db2.gz	QFNGSSIGURWVGU-NWDGAFQWSA-N	-1	0	293.388	2.800	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000601994683	350825232	/nfs/dbraw/zinc/82/52/32/350825232.db2.gz	ZBLHPSWVZIVKMN-MEDUHNTESA-N	-1	0	288.347	2.626	20	30		CFEDRM
Cc1[n-]n(-c2ccccc2Cl)c(=O)c1CCC#N	ZINC000603923925	351192310	/nfs/dbraw/zinc/19/23/10/351192310.db2.gz	RHISLBKMZKXZJW-JTQLQIEISA-N	-1	0	261.712	2.982	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCc2ccc(CC#N)cc2)o1	ZINC000603397077	351155966	/nfs/dbraw/zinc/15/59/66/351155966.db2.gz	JZXRNZCIQKTCQI-UHFFFAOYSA-N	-1	0	284.363	2.857	20	30		CFEDRM
C[C@H](Nc1ncccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000603627563	351176668	/nfs/dbraw/zinc/17/66/68/351176668.db2.gz	HPAAWPSSZBTNBA-JTQLQIEISA-N	-1	0	267.288	2.825	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)NC2(c3cccc(F)c3)CC2)c1	ZINC000614370070	352086065	/nfs/dbraw/zinc/08/60/65/352086065.db2.gz	NPXXYJMTHVTYDR-UHFFFAOYSA-N	-1	0	296.301	2.822	20	30		CFEDRM
C[C@@H](N(C)C(=O)c1cc(O)cc(C#N)c1)C1(C)CC1	ZINC000614372186	352086341	/nfs/dbraw/zinc/08/63/41/352086341.db2.gz	FQEYYKBVVWZKBA-SNVBAGLBSA-N	-1	0	258.321	2.524	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@H]2N=c1nc(C2CC2)[n-]s1	ZINC000618693378	352862733	/nfs/dbraw/zinc/86/27/33/352862733.db2.gz	GKGSCPCZTGORMD-CYBMUJFWSA-N	-1	0	282.372	2.808	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)N=c2[n-]nc(CCCC)s2)C1	ZINC000626209535	354231481	/nfs/dbraw/zinc/23/14/81/354231481.db2.gz	YIIGAIIQEXPVSL-NSHDSACASA-N	-1	0	294.424	2.733	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000628313294	354539427	/nfs/dbraw/zinc/53/94/27/354539427.db2.gz	KEUWGZFZQFHZCC-UHFFFAOYSA-N	-1	0	274.773	2.834	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc(C(=O)[O-])s1	ZINC000630228738	355030354	/nfs/dbraw/zinc/03/03/54/355030354.db2.gz	CVJMQGQQCGXYOE-UHFFFAOYSA-N	-1	0	267.350	2.778	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC000630229267	355030380	/nfs/dbraw/zinc/03/03/80/355030380.db2.gz	NHXKZSUTMSCMIV-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000630280999	355037179	/nfs/dbraw/zinc/03/71/79/355037179.db2.gz	AYTLYKPMPSECIT-QLFBSQMISA-N	-1	0	291.391	2.857	20	30		CFEDRM
C=CCC1(CNC(=O)c2cc(C(=O)[O-])co2)CCCC1	ZINC000630292184	355041219	/nfs/dbraw/zinc/04/12/19/355041219.db2.gz	KZKBVXKKHMFXCZ-UHFFFAOYSA-N	-1	0	277.320	2.844	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000630297989	355045147	/nfs/dbraw/zinc/04/51/47/355045147.db2.gz	UHXHMLWLTYWRQB-RDBSUJKOSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1CC(C(=O)[O-])C1)c1ccccc1	ZINC000630297096	355045183	/nfs/dbraw/zinc/04/51/83/355045183.db2.gz	KVUSEYGKJNGZIR-YMAMQOFZSA-N	-1	0	287.359	2.921	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1oc(C(F)F)cc1C)C(=O)[O-]	ZINC000630182158	355024568	/nfs/dbraw/zinc/02/45/68/355024568.db2.gz	MUIRZIHOCCMFNW-MRVPVSSYSA-N	-1	0	287.262	2.675	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000630320118	355049950	/nfs/dbraw/zinc/04/99/50/355049950.db2.gz	PETBNDMLYSGCFS-UKRRQHHQSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000630319717	355049964	/nfs/dbraw/zinc/04/99/64/355049964.db2.gz	GOHJQRFMIJVRLC-LBPRGKRZSA-N	-1	0	279.336	2.861	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000630318981	355049983	/nfs/dbraw/zinc/04/99/83/355049983.db2.gz	PMEDVBRUAAWRJF-LLVKDONJSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000630319954	355050011	/nfs/dbraw/zinc/05/00/11/355050011.db2.gz	LRAZXCGNQGUNNC-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000630319422	355050195	/nfs/dbraw/zinc/05/01/95/355050195.db2.gz	ADWQWBSMQBDBNX-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)C(=O)[O-]	ZINC000630320767	355050817	/nfs/dbraw/zinc/05/08/17/355050817.db2.gz	BOJLMKSRBNYANF-AVGNSLFASA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)[O-]	ZINC000630321433	355051052	/nfs/dbraw/zinc/05/10/52/355051052.db2.gz	JDQBWQSZHXAMJR-LLVKDONJSA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C[C@@H](CC(=O)N1C2CCC1(C(=O)[O-])CC2)c1ccccc1	ZINC000630325563	355052200	/nfs/dbraw/zinc/05/22/00/355052200.db2.gz	VSPDKLLMLUJSDS-UQHVZDHRSA-N	-1	0	299.370	2.955	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000630325044	355052226	/nfs/dbraw/zinc/05/22/26/355052226.db2.gz	GPNTZDIDQVRROO-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H](CC(=O)N1C2CCC1(C(=O)[O-])CC2)c1ccccc1	ZINC000630325561	355052553	/nfs/dbraw/zinc/05/25/53/355052553.db2.gz	VSPDKLLMLUJSDS-MJJDPTRDSA-N	-1	0	299.370	2.955	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000630326980	355053009	/nfs/dbraw/zinc/05/30/09/355053009.db2.gz	UTDBIMJKCZVRLT-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000630332402	355053744	/nfs/dbraw/zinc/05/37/44/355053744.db2.gz	YLHCYXUGCKZNOC-JTQLQIEISA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000630544821	355107611	/nfs/dbraw/zinc/10/76/11/355107611.db2.gz	NNKCSOJICXXESP-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000630551616	355110483	/nfs/dbraw/zinc/11/04/83/355110483.db2.gz	XLFRCIKBQYAKHL-SNVBAGLBSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000630484590	355093524	/nfs/dbraw/zinc/09/35/24/355093524.db2.gz	ZPGYYGGBMLAAQJ-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000316216322	541050113	/nfs/dbraw/zinc/05/01/13/541050113.db2.gz	ANVGQBSWMYIAEX-CYBMUJFWSA-N	-1	0	279.380	2.738	20	30		CFEDRM
N#Cc1cccc(CN[C@H](C(=O)[O-])c2cccs2)c1	ZINC000426783045	239262930	/nfs/dbraw/zinc/26/29/30/239262930.db2.gz	ILKZAISZOYBPGU-ZDUSSCGKSA-N	-1	0	272.329	2.535	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N[C@@H](CCC)C(=O)[O-])c1	ZINC000574110354	334993270	/nfs/dbraw/zinc/99/32/70/334993270.db2.gz	XPPZTCVGLTXTFO-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cn1	ZINC000442856837	241008694	/nfs/dbraw/zinc/00/86/94/241008694.db2.gz	ZMXYZYSMJCHWHX-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
CCCCc1n[n-]c(=NCc2ccc(C#N)c(C)c2)o1	ZINC000446956942	241342520	/nfs/dbraw/zinc/34/25/20/241342520.db2.gz	KDIPIGQSEZKNBY-UHFFFAOYSA-N	-1	0	270.336	2.626	20	30		CFEDRM
CCSc1n[n-]c(=NCc2ccc(C#N)cc2F)s1	ZINC000447960827	241437211	/nfs/dbraw/zinc/43/72/11/241437211.db2.gz	CNDJSEJAMDSHCL-UHFFFAOYSA-N	-1	0	294.380	2.695	20	30		CFEDRM
C=CCCN(C)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000276479515	193349310	/nfs/dbraw/zinc/34/93/10/193349310.db2.gz	LDWMWEHYKOHSMJ-UHFFFAOYSA-N	-1	0	257.692	2.833	20	30		CFEDRM
N#Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1	ZINC000013249018	372020944	/nfs/dbraw/zinc/02/09/44/372020944.db2.gz	JVTSKJSDZHBMPA-UHFFFAOYSA-N	-1	0	272.304	2.532	20	30		CFEDRM
N#CCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1	ZINC000013468458	372028081	/nfs/dbraw/zinc/02/80/81/372028081.db2.gz	OKKSSLPOVUEATR-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccnn2)n1	ZINC000528965684	383684497	/nfs/dbraw/zinc/68/44/97/383684497.db2.gz	FHPIEGJTMLJAQI-SECBINFHSA-N	-1	0	272.333	2.547	20	30		CFEDRM
C[C@H](CN(C)c1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000042704322	372947775	/nfs/dbraw/zinc/94/77/75/372947775.db2.gz	NHJNKVXAXWIPRF-MRVPVSSYSA-N	-1	0	286.253	2.734	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3	ZINC000049417486	373295700	/nfs/dbraw/zinc/29/57/00/373295700.db2.gz	GEAAYWCDUTVFPF-UHFFFAOYSA-N	-1	0	285.409	2.753	20	30		CFEDRM
Cn1cccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000073977436	374399460	/nfs/dbraw/zinc/39/94/60/374399460.db2.gz	BFGDODWUPQHBMF-SNVBAGLBSA-N	-1	0	265.272	2.656	20	30		CFEDRM
N#CC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000128278937	377327905	/nfs/dbraw/zinc/32/79/05/377327905.db2.gz	JRPALPAOESKEFB-UHFFFAOYSA-N	-1	0	282.702	2.560	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2c([O-])cccc2F)c1	ZINC000163835532	378993069	/nfs/dbraw/zinc/99/30/69/378993069.db2.gz	VNECXUNPYWWAHQ-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
CC1=C(C)C[C@H](C(=O)N=c2[n-]n(C(C)C)cc2C#N)CC1	ZINC000335393648	379211881	/nfs/dbraw/zinc/21/18/81/379211881.db2.gz	SBHLTWIXFCHVOB-CYBMUJFWSA-N	-1	0	286.379	2.833	20	30		CFEDRM
C[C@H]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(O)c2)C1	ZINC000335524931	379452126	/nfs/dbraw/zinc/45/21/26/379452126.db2.gz	WEDZZYRPSLCVPS-GWCFXTLKSA-N	-1	0	258.321	2.524	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F	ZINC000335696573	379738605	/nfs/dbraw/zinc/73/86/05/379738605.db2.gz	OCLIWZCSNCENIF-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1Cl	ZINC000335989184	380202222	/nfs/dbraw/zinc/20/22/22/380202222.db2.gz	SBLQGDMKTMILNN-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@](C)(CC)C(F)(F)F	ZINC000571975925	383743323	/nfs/dbraw/zinc/74/33/23/383743323.db2.gz	WXMKLAXAJYWBAL-VIFPVBQESA-N	-1	0	273.320	2.603	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1	ZINC000181149065	380747654	/nfs/dbraw/zinc/74/76/54/380747654.db2.gz	DYRZAVONWBTRBD-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
CC[C@H](CC(C)C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410539273	380982549	/nfs/dbraw/zinc/98/25/49/380982549.db2.gz	JFWSIQHBKCQGNS-GFCCVEGCSA-N	-1	0	276.384	2.768	20	30		CFEDRM
C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000279334763	194388939	/nfs/dbraw/zinc/38/89/39/194388939.db2.gz	HRFAETPXBZUKRX-GFCCVEGCSA-N	-1	0	290.146	2.965	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCCOCC2)c1[O-]	ZINC000182699332	381141382	/nfs/dbraw/zinc/14/13/82/381141382.db2.gz	VSGZLMDXWWTDQE-UXYFDLPDSA-N	-1	0	298.726	2.942	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1F	ZINC000290675633	381519564	/nfs/dbraw/zinc/51/95/64/381519564.db2.gz	ZBSBJGGADMFPCG-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1	ZINC000291267123	381728676	/nfs/dbraw/zinc/72/86/76/381728676.db2.gz	NKTODLYKEKSFFZ-GFCCVEGCSA-N	-1	0	285.265	2.880	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1cc(C(=O)[O-])cs1	ZINC000349107546	381824304	/nfs/dbraw/zinc/82/43/04/381824304.db2.gz	KCKRJMQJVZXVRK-OWOJBTEDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
Cn1ccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1	ZINC000362134258	381924006	/nfs/dbraw/zinc/92/40/06/381924006.db2.gz	AYTRUMQWLMXTJD-NSHDSACASA-N	-1	0	293.248	2.929	20	30		CFEDRM
N#Cc1cccc(CN=c2[n-]nc(-c3ccccc3)o2)c1	ZINC000357183670	382044583	/nfs/dbraw/zinc/04/45/83/382044583.db2.gz	CUXIRZIDFNVNRA-UHFFFAOYSA-N	-1	0	276.299	2.642	20	30		CFEDRM
Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000186912106	382044558	/nfs/dbraw/zinc/04/45/58/382044558.db2.gz	QCQWUWRFPXIGCB-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000345951908	382324150	/nfs/dbraw/zinc/32/41/50/382324150.db2.gz	DZNQKQPDEYAGGK-OCCSQVGLSA-N	-1	0	297.395	2.507	20	30		CFEDRM
COCc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000357999865	382402568	/nfs/dbraw/zinc/40/25/68/382402568.db2.gz	HIUCVTYIXVHWGY-SOFGYWHQSA-N	-1	0	294.310	2.968	20	30		CFEDRM
CCCCn1nccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188406614	382408239	/nfs/dbraw/zinc/40/82/39/382408239.db2.gz	SMAOSSXSEUACSS-UHFFFAOYSA-N	-1	0	284.319	2.513	20	30		CFEDRM
Cc1nn(C(C)C)cc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000346671537	382463831	/nfs/dbraw/zinc/46/38/31/382463831.db2.gz	JDWSKPNJTOVVOZ-WAYWQWQTSA-N	-1	0	296.330	2.908	20	30		CFEDRM
CC[C@@H](C)c1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000358144939	382467331	/nfs/dbraw/zinc/46/73/31/382467331.db2.gz	GQMOGYCMKJRMEQ-SNVBAGLBSA-N	-1	0	296.330	2.820	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000398202896	382635517	/nfs/dbraw/zinc/63/55/17/382635517.db2.gz	GCZAJRYHYPLDLB-FRRDWIJNSA-N	-1	0	282.384	2.626	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(O)cc1O	ZINC000224062615	382809134	/nfs/dbraw/zinc/80/91/34/382809134.db2.gz	UIKJYANJOMXHFQ-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)s1	ZINC000230333447	382859764	/nfs/dbraw/zinc/85/97/64/382859764.db2.gz	UENGNWJGFSNOBH-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
CC(C)[C@@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000579370805	383010146	/nfs/dbraw/zinc/01/01/46/383010146.db2.gz	BNYRJSKUUVRMHW-SNVBAGLBSA-N	-1	0	286.253	2.689	20	30		CFEDRM
C=C[C@H]1CCCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000580835766	383080796	/nfs/dbraw/zinc/08/07/96/383080796.db2.gz	NXDBHUUIPUOZJB-JTQLQIEISA-N	-1	0	291.307	2.541	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000579669899	383039632	/nfs/dbraw/zinc/03/96/32/383039632.db2.gz	YKWSRCKCCATWMH-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCCC2CCOCC2)s1	ZINC000579794431	383052570	/nfs/dbraw/zinc/05/25/70/383052570.db2.gz	WPYNYQKOASKAJU-UHFFFAOYSA-N	-1	0	299.465	2.857	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2nc(C)cs2)co1	ZINC000338629024	383024936	/nfs/dbraw/zinc/02/49/36/383024936.db2.gz	XZQQXOVCJXAMEF-SECBINFHSA-N	-1	0	275.333	2.882	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000448991715	383125506	/nfs/dbraw/zinc/12/55/06/383125506.db2.gz	JTLULZRYEIYXPS-LBPRGKRZSA-N	-1	0	299.729	2.937	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(C)c(OCC)c1)C(=O)[O-]	ZINC000448998665	383125992	/nfs/dbraw/zinc/12/59/92/383125992.db2.gz	XDKKFCJOEUQIGZ-ZDUSSCGKSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCOCCSc1n[n-]c(=NC2CCCCC2)s1	ZINC000554970773	383147127	/nfs/dbraw/zinc/14/71/27/383147127.db2.gz	FZVOHYSWEWXZOM-UHFFFAOYSA-N	-1	0	299.465	2.999	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000566415038	383186233	/nfs/dbraw/zinc/18/62/33/383186233.db2.gz	VWWQKOBHVJUJLL-CQSZACIVSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1n[nH]c(-c2ccco2)n1	ZINC000425150960	383333386	/nfs/dbraw/zinc/33/33/86/383333386.db2.gz	YZSKOSOJIBZQQR-UHFFFAOYSA-N	-1	0	260.297	2.606	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634927565	383407447	/nfs/dbraw/zinc/40/74/47/383407447.db2.gz	SQSGOXIZDQTOIT-KBXIAJHMSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634927829	383408324	/nfs/dbraw/zinc/40/83/24/383408324.db2.gz	YTFVTYZDZIVFLJ-RFGFWPKPSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)CC1(C(=O)[O-])CCCC1	ZINC000634932751	383410697	/nfs/dbraw/zinc/41/06/97/383410697.db2.gz	IFUVSJQFYLXQBA-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634932974	383410703	/nfs/dbraw/zinc/41/07/03/383410703.db2.gz	MWEGXNZUGBHIRY-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634933497	383410707	/nfs/dbraw/zinc/41/07/07/383410707.db2.gz	ZTZRCGNBPJUHCV-RYUDHWBXSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634933496	383410719	/nfs/dbraw/zinc/41/07/19/383410719.db2.gz	ZTZRCGNBPJUHCV-NWDGAFQWSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)C[C@H](C(=O)[O-])c2ccccc2)C1	ZINC000634939027	383412650	/nfs/dbraw/zinc/41/26/50/383412650.db2.gz	YUHIXNHJKDDELG-HIFRSBDPSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000634938888	383412743	/nfs/dbraw/zinc/41/27/43/383412743.db2.gz	VJLOAPPUGQIIEY-XJKSGUPXSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCCCCNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634844846	383378049	/nfs/dbraw/zinc/37/80/49/383378049.db2.gz	UFPMKJZWTPCNQO-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634847223	383378746	/nfs/dbraw/zinc/37/87/46/383378746.db2.gz	BZARHXMGTCHTQT-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634847290	383379046	/nfs/dbraw/zinc/37/90/46/383379046.db2.gz	DNHHGZRUXDVAPJ-AWEZNQCLSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634941957	383414644	/nfs/dbraw/zinc/41/46/44/383414644.db2.gz	QDYYJVJNRYOPKT-IUODEOHRSA-N	-1	0	295.404	2.951	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634852223	383382497	/nfs/dbraw/zinc/38/24/97/383382497.db2.gz	QLADNOVZGMUENW-OAHLLOKOSA-N	-1	0	295.404	2.905	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000634854321	383382793	/nfs/dbraw/zinc/38/27/93/383382793.db2.gz	WUFHPIFRTPGWGJ-CHWSQXEVSA-N	-1	0	293.388	2.764	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)s1	ZINC000340592815	383481498	/nfs/dbraw/zinc/48/14/98/383481498.db2.gz	WJMGLLLGEKRDHA-OWOJBTEDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C[C@]1(C(=O)[O-])CCSC1	ZINC000634947449	383417429	/nfs/dbraw/zinc/41/74/29/383417429.db2.gz	OVBPQZPDFQTPOA-OAHLLOKOSA-N	-1	0	299.436	2.693	20	30		CFEDRM
CCN=c1[n-]nc(SCc2cccc(F)c2C#N)s1	ZINC000488246459	383507956	/nfs/dbraw/zinc/50/79/56/383507956.db2.gz	DKOXDCNWTHCRSR-UHFFFAOYSA-N	-1	0	294.380	2.695	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000488289839	383513642	/nfs/dbraw/zinc/51/36/42/383513642.db2.gz	GAHIHFREKNPNHJ-JTQLQIEISA-N	-1	0	294.424	2.830	20	30		CFEDRM
CC(C)c1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000450902893	383543179	/nfs/dbraw/zinc/54/31/79/383543179.db2.gz	BTNJUVVVMISLBV-UHFFFAOYSA-N	-1	0	276.340	2.706	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000635530061	383578604	/nfs/dbraw/zinc/57/86/04/383578604.db2.gz	OICDVFLRCSPFSW-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
Cn1nccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430583198	383594390	/nfs/dbraw/zinc/59/43/90/383594390.db2.gz	MOLCGCFDKWAVGL-SECBINFHSA-N	-1	0	288.376	2.664	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000262213022	383612979	/nfs/dbraw/zinc/61/29/79/383612979.db2.gz	WDALZFNAGLRHDU-KFWWJZLASA-N	-1	0	291.391	2.999	20	30		CFEDRM
C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000431187585	383638861	/nfs/dbraw/zinc/63/88/61/383638861.db2.gz	PWSULWXTOURDTE-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC000262830983	383640614	/nfs/dbraw/zinc/64/06/14/383640614.db2.gz	FXCVSCZMROYCAT-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1nc(C(C)(C)C)[n-]s1	ZINC000435596037	383776575	/nfs/dbraw/zinc/77/65/75/383776575.db2.gz	GBOHSFVJEFEMIF-QWRGUYRKSA-N	-1	0	281.425	2.651	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)NC(C)(C)CCC(=O)[O-])c1	ZINC000263349839	383659612	/nfs/dbraw/zinc/65/96/12/383659612.db2.gz	PCCWTMVJDHSUJO-UHFFFAOYSA-N	-1	0	289.335	2.632	20	30		CFEDRM
CC(C)C[C@@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000263485026	383669978	/nfs/dbraw/zinc/66/99/78/383669978.db2.gz	HDXPBGIHBRLUIN-SNVBAGLBSA-N	-1	0	267.716	2.518	20	30		CFEDRM
C=C(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000436722149	383879602	/nfs/dbraw/zinc/87/96/02/383879602.db2.gz	JTRRCKPCPUMKCZ-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C#N)cc2)c1	ZINC000436680395	383870582	/nfs/dbraw/zinc/87/05/82/383870582.db2.gz	NSGPKXLIOMKJCT-UHFFFAOYSA-N	-1	0	294.310	2.648	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000439001009	384030199	/nfs/dbraw/zinc/03/01/99/384030199.db2.gz	OQBQDAGGCUXEMM-VIFPVBQESA-N	-1	0	274.349	2.788	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2nc3c(s2)CCC3)nc(C)n1	ZINC000643027200	384478212	/nfs/dbraw/zinc/47/82/12/384478212.db2.gz	NJMASAOHLWWBJJ-JTQLQIEISA-N	-1	0	298.371	2.529	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(C)(C)C	ZINC000288583458	197119600	/nfs/dbraw/zinc/11/96/00/197119600.db2.gz	KXPQQGXQOIYOEX-LLVKDONJSA-N	-1	0	283.730	2.962	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)C1CC(C(=O)[O-])C1	ZINC000682702966	542582247	/nfs/dbraw/zinc/58/22/47/542582247.db2.gz	KQCIXGLTVOOJCJ-UHFFFAOYSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000237412608	131028649	/nfs/dbraw/zinc/02/86/49/131028649.db2.gz	DAAZFZXFDVRQBX-GFCCVEGCSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000238144750	131077754	/nfs/dbraw/zinc/07/77/54/131077754.db2.gz	ZIGWDOSDFWPAAT-JXMROGBWSA-N	-1	0	289.331	2.706	20	30		CFEDRM
CC1CCC(CNC(=O)c2cccn3c([O-])nnc23)CC1	ZINC000329506338	393540133	/nfs/dbraw/zinc/54/01/33/393540133.db2.gz	LMGAYCHJNOOIGI-UHFFFAOYSA-N	-1	0	288.351	2.566	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H]2CCCC[C@@H]2C)[n-]n1	ZINC000330017873	393550359	/nfs/dbraw/zinc/55/03/59/393550359.db2.gz	RWMURGVSIIQFBK-NWDGAFQWSA-N	-1	0	292.383	2.590	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000345619607	393912903	/nfs/dbraw/zinc/91/29/03/393912903.db2.gz	YVBWXTNGYRBOIL-UHFFFAOYSA-N	-1	0	293.415	2.665	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(C)(F)F	ZINC000416946233	393947195	/nfs/dbraw/zinc/94/71/95/393947195.db2.gz	APOKAQUUTFLNTC-SECBINFHSA-N	-1	0	288.319	2.842	20	30		CFEDRM
CC(C)(C)CC[C@@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000417575669	393978489	/nfs/dbraw/zinc/97/84/89/393978489.db2.gz	GMXSIIHFUBOIRX-CQSZACIVSA-N	-1	0	295.408	2.774	20	30		CFEDRM
C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1	ZINC000438954550	394089313	/nfs/dbraw/zinc/08/93/13/394089313.db2.gz	AQKHITKPAOZREE-QMMMGPOBSA-N	-1	0	299.721	2.549	20	30		CFEDRM
COc1cc(/C=C\c2ncccc2C#N)cc([N+](=O)[O-])c1[O-]	ZINC000436930982	394036191	/nfs/dbraw/zinc/03/61/91/394036191.db2.gz	ZRZCIGIUMIMYTN-PLNGDYQASA-N	-1	0	297.270	2.746	20	30		CFEDRM
Cc1cc(C)c(C#N)c(N2CCC[C@@H](CCC(=O)[O-])C2)n1	ZINC000043584966	134905941	/nfs/dbraw/zinc/90/59/41/134905941.db2.gz	AYDICKBTSGIWOQ-ZDUSSCGKSA-N	-1	0	287.363	2.651	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)C(CC(C)C)CC(C)C)c1C#N	ZINC000451161792	394363744	/nfs/dbraw/zinc/36/37/44/394363744.db2.gz	ZYENCIGVXSFNQA-UHFFFAOYSA-N	-1	0	276.384	2.659	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000685020319	542888385	/nfs/dbraw/zinc/88/83/85/542888385.db2.gz	ZUGZUYWCIORUOV-PXAZEXFGSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000685020036	542888450	/nfs/dbraw/zinc/88/84/50/542888450.db2.gz	LYTJJKRBDVAIPM-GXFFZTMASA-N	-1	0	279.311	2.670	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc(C2CC2)cs1	ZINC000647380197	395320600	/nfs/dbraw/zinc/32/06/00/395320600.db2.gz	TZLMYETXIRGSBO-MRVPVSSYSA-N	-1	0	275.358	2.967	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(C2CC2)cs1	ZINC000647378917	395320738	/nfs/dbraw/zinc/32/07/38/395320738.db2.gz	NDQUYRVJQPGPMX-LLVKDONJSA-N	-1	0	282.328	2.710	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000649259309	395463101	/nfs/dbraw/zinc/46/31/01/395463101.db2.gz	ZLNJGTMOSYSVBU-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc(C)cs2)n[nH]1	ZINC000047358333	397585154	/nfs/dbraw/zinc/58/51/54/397585154.db2.gz	ABLWVWPUMBMNGG-SNVBAGLBSA-N	-1	0	274.349	2.617	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cccc(C(=O)[O-])c2)nc1	ZINC000358230495	155680761	/nfs/dbraw/zinc/68/07/61/155680761.db2.gz	XVGWXRJWNYOODH-XQRVVYSFSA-N	-1	0	250.257	2.822	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(CC(F)(F)F)s2)cc1	ZINC000346423151	162408882	/nfs/dbraw/zinc/40/88/82/162408882.db2.gz	WDRZXEPUGAMUPZ-UHFFFAOYSA-N	-1	0	298.293	2.549	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1ccc(OCCC(=O)[O-])cc1	ZINC000347453718	162695804	/nfs/dbraw/zinc/69/58/04/162695804.db2.gz	VRYYPZAECUGKSY-RJRFIUFISA-N	-1	0	294.310	2.977	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000008105850	170319130	/nfs/dbraw/zinc/31/91/30/170319130.db2.gz	JMNJMPCHBHVIBR-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CC(C)CO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285764464	196391982	/nfs/dbraw/zinc/39/19/82/196391982.db2.gz	MSPYZWLFZSJEII-UHFFFAOYSA-N	-1	0	278.327	2.679	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F	ZINC000655660323	414348935	/nfs/dbraw/zinc/34/89/35/414348935.db2.gz	UUMCOVZXJNUBTM-JTQLQIEISA-N	-1	0	297.298	2.687	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000659223965	414472875	/nfs/dbraw/zinc/47/28/75/414472875.db2.gz	YZQJIYOIZREVGP-SNVBAGLBSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659227838	414473473	/nfs/dbraw/zinc/47/34/73/414473473.db2.gz	FFNNBLAKNCGHPT-RQJABVFESA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)CC(C)(C)C(=O)[O-]	ZINC000659166949	414460570	/nfs/dbraw/zinc/46/05/70/414460570.db2.gz	XKJCKFFELRDLLN-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC1(CNC(=O)C2CC(C(=O)[O-])C2)CCCC1	ZINC000659167431	414460774	/nfs/dbraw/zinc/46/07/74/414460774.db2.gz	UUTQEGUISMZMEV-UHFFFAOYSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])co1	ZINC000659165896	414460833	/nfs/dbraw/zinc/46/08/33/414460833.db2.gz	BBTBHEDVALMFPN-ZYHUDNBSSA-N	-1	0	277.320	2.843	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])oc2C)C1	ZINC000659170173	414461853	/nfs/dbraw/zinc/46/18/53/414461853.db2.gz	QNYBANVEYWXKLA-NSHDSACASA-N	-1	0	277.320	2.715	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659423789	414519469	/nfs/dbraw/zinc/51/94/69/414519469.db2.gz	PJKJXUSEAVCCFS-CHWSQXEVSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000663075366	414650476	/nfs/dbraw/zinc/65/04/76/414650476.db2.gz	VSGUNYKPICEBSE-GFCCVEGCSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C1	ZINC000663126370	414654027	/nfs/dbraw/zinc/65/40/27/414654027.db2.gz	IIAMYIVGAUKSHI-VXGBXAGGSA-N	-1	0	267.369	2.548	20	30		CFEDRM
N#Cc1nccnc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243154030	782022435	/nfs/dbraw/zinc/02/24/35/782022435.db2.gz	XJLNOKKTDROLSZ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(O)c(Cl)c1	ZINC000334650628	225255131	/nfs/dbraw/zinc/25/51/31/225255131.db2.gz	GBCVVOYTZRTSMF-MADCSZMMSA-N	-1	0	250.685	2.534	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1	ZINC000076910456	260166739	/nfs/dbraw/zinc/16/67/39/260166739.db2.gz	KVMDOARJWSAXSC-MNOVXSKESA-N	-1	0	261.387	2.755	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc2ccccc21	ZINC000088474729	260232790	/nfs/dbraw/zinc/23/27/90/260232790.db2.gz	OCQOEOBLKUHBKD-LBPRGKRZSA-N	-1	0	274.345	2.884	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCCc2ccncc2)s1	ZINC000357726364	260288262	/nfs/dbraw/zinc/28/82/62/260288262.db2.gz	DUNWYHIITRWNFP-UHFFFAOYSA-N	-1	0	292.433	2.678	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCC2	ZINC000049418102	260661027	/nfs/dbraw/zinc/66/10/27/260661027.db2.gz	XIHSIVUUEQSBFI-UHFFFAOYSA-N	-1	0	295.404	2.803	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000105754774	261313191	/nfs/dbraw/zinc/31/31/91/261313191.db2.gz	OLQLGMDFGQNXCQ-VIFPVBQESA-N	-1	0	295.220	2.887	20	30		CFEDRM
COc1nc(-c2cc(C)cc(C(=O)[O-])c2)ccc1C#N	ZINC001243177171	782037369	/nfs/dbraw/zinc/03/73/69/782037369.db2.gz	FTXOYKBVZBEUEV-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#CC1(C(=O)[N-]OCc2ccc(F)cc2)CCCCC1	ZINC000184157916	262010892	/nfs/dbraw/zinc/01/08/92/262010892.db2.gz	JIWAJMTVMQDXFL-UHFFFAOYSA-N	-1	0	276.311	2.848	20	30		CFEDRM
CC(C)c1ncc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354482246	262266011	/nfs/dbraw/zinc/26/60/11/262266011.db2.gz	ZJHJDEDSWQFCSM-VIFPVBQESA-N	-1	0	272.333	2.547	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2c([O-])cccc2F)[C@@H]1C#N	ZINC000277616184	263042439	/nfs/dbraw/zinc/04/24/39/263042439.db2.gz	VTAGEXBNJGHTTC-GFCCVEGCSA-N	-1	0	276.311	2.686	20	30		CFEDRM
N#CC1CCC(CNC(=O)c2ccc(F)cc2[O-])CC1	ZINC000282146393	263074758	/nfs/dbraw/zinc/07/47/58/263074758.db2.gz	CKXVUHIEUTUUAT-UHFFFAOYSA-N	-1	0	276.311	2.591	20	30		CFEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000282897544	263079500	/nfs/dbraw/zinc/07/95/00/263079500.db2.gz	ANXLTIIKFTYXDQ-JVXZTZIISA-N	-1	0	299.783	2.704	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nc(C)ccc2C#N)c1	ZINC001243176558	782037717	/nfs/dbraw/zinc/03/77/17/782037717.db2.gz	DZEPLCUMQHKSBD-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CCCc1nc(=NC(=O)NC2CCCCC2)s[n-]1	ZINC000330488044	263950443	/nfs/dbraw/zinc/95/04/43/263950443.db2.gz	IPYDIGLMHKVUCC-UHFFFAOYSA-N	-1	0	268.386	2.571	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)N[C@@H](C)C2CCCC2)s1	ZINC000330774705	264034220	/nfs/dbraw/zinc/03/42/20/264034220.db2.gz	GWVUJSAFHCMYSB-VIFPVBQESA-N	-1	0	282.413	2.817	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)NCC(C)(C)CC)s1	ZINC000331156868	264141653	/nfs/dbraw/zinc/14/16/53/264141653.db2.gz	DEBKMRJWRGUZOL-UHFFFAOYSA-N	-1	0	270.402	2.675	20	30		CFEDRM
CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCC1	ZINC000331236015	264174674	/nfs/dbraw/zinc/17/46/74/264174674.db2.gz	LQDMXMPQUSCFLC-UHFFFAOYSA-N	-1	0	264.281	2.938	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080457231	264395451	/nfs/dbraw/zinc/39/54/51/264395451.db2.gz	QNIZQGPDEOVNMU-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC)CCC(=O)[O-])c1ccccc1	ZINC000190698478	264426611	/nfs/dbraw/zinc/42/66/11/264426611.db2.gz	ORNZZNNRJLTOLN-ZDUSSCGKSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC000192893658	265975605	/nfs/dbraw/zinc/97/56/05/265975605.db2.gz	AZKMLAPFEWAYBX-LLVKDONJSA-N	-1	0	291.347	2.612	20	30		CFEDRM
C=C[C@H](C)NC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000362630337	267026704	/nfs/dbraw/zinc/02/67/04/267026704.db2.gz	HKCLFBXPBDCIEU-QMMMGPOBSA-N	-1	0	268.386	2.560	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)c3ccccc3n2)C1	ZINC000399121357	267086458	/nfs/dbraw/zinc/08/64/58/267086458.db2.gz	ZMATVFVJYMXIQG-YPMHNXCESA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000308113111	267303090	/nfs/dbraw/zinc/30/30/90/267303090.db2.gz	LQUBSIPZZQVUSC-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(O)cc(F)c1	ZINC000184756061	268048949	/nfs/dbraw/zinc/04/89/49/268048949.db2.gz	IKAGISHQYZXCTH-HNQUOIGGSA-N	-1	0	284.246	2.667	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc3cc[nH]c32)cc1[O-]	ZINC000525952437	268205493	/nfs/dbraw/zinc/20/54/93/268205493.db2.gz	HSGAZIPPGLFLTO-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000263293301	277783291	/nfs/dbraw/zinc/78/32/91/277783291.db2.gz	RPGVTEBLVYPIQB-YWPYICTPSA-N	-1	0	267.369	2.738	20	30		CFEDRM
Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000074932499	280508072	/nfs/dbraw/zinc/50/80/72/280508072.db2.gz	CDJUVUXBQHDNCA-UHFFFAOYSA-N	-1	0	286.356	2.809	20	30		CFEDRM
CC(=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000564156576	290194547	/nfs/dbraw/zinc/19/45/47/290194547.db2.gz	WUNWWAFZYTZBSA-CSKARUKUSA-N	-1	0	251.289	2.511	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1ccc(C)c(C(=O)[O-])c1	ZINC001243195278	782055900	/nfs/dbraw/zinc/05/59/00/782055900.db2.gz	NUYTWHVZYMHTTI-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncccc1CC#N	ZINC001243202673	782063132	/nfs/dbraw/zinc/06/31/32/782063132.db2.gz	WPRMQQXSYZLDIV-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000263398984	297883412	/nfs/dbraw/zinc/88/34/12/297883412.db2.gz	IJCTTXAIAUCYGG-CYBMUJFWSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1	ZINC000124590294	301697621	/nfs/dbraw/zinc/69/76/21/301697621.db2.gz	BBZAQPLSZAULMI-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#CC(=C([O-])c1cncnc1)c1nc2ccccc2s1	ZINC000355300196	303166092	/nfs/dbraw/zinc/16/60/92/303166092.db2.gz	RTOXCGBFNALJIJ-SNVBAGLBSA-N	-1	0	280.312	2.576	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000037115754	303180219	/nfs/dbraw/zinc/18/02/19/303180219.db2.gz	ZFDGGTHGKTVVHB-SECBINFHSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(-c2cnc(F)c(C#N)c2)ccc1C(=O)[O-]	ZINC001243215629	782076291	/nfs/dbraw/zinc/07/62/91/782076291.db2.gz	VCEYKDYLUOXACY-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CCC1(C(=O)N=c2ccc(OC(C)C)n[n-]2)CCCC1	ZINC000410789423	328055369	/nfs/dbraw/zinc/05/53/69/328055369.db2.gz	HNPVCOAXVTVNCY-UHFFFAOYSA-N	-1	0	289.379	2.761	20	30		CFEDRM
Cc1cccc(F)c1S(=O)(=O)N[C@](C)(C#N)C(C)(C)C	ZINC000274775866	328213426	/nfs/dbraw/zinc/21/34/26/328213426.db2.gz	WCOXOEXSEBHVAO-CQSZACIVSA-N	-1	0	298.383	2.741	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000161647480	322355483	/nfs/dbraw/zinc/35/54/83/322355483.db2.gz	HYWXCWJITODLQK-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
CC(C)CCCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000180093300	323771691	/nfs/dbraw/zinc/77/16/91/323771691.db2.gz	JTVKAYYCAZRSJN-UHFFFAOYSA-N	-1	0	290.392	2.976	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[O-]	ZINC000188238083	324010840	/nfs/dbraw/zinc/01/08/40/324010840.db2.gz	JQLHOQNGMJOZRU-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(F)c1	ZINC000188373060	324013869	/nfs/dbraw/zinc/01/38/69/324013869.db2.gz	SKTOMGKLYPMOGH-UHFFFAOYSA-N	-1	0	288.253	2.819	20	30		CFEDRM
N#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)o1	ZINC000350584347	324237523	/nfs/dbraw/zinc/23/75/23/324237523.db2.gz	RZWQGKQFXAXVHT-UHFFFAOYSA-N	-1	0	271.207	2.713	20	30		CFEDRM
CC1(C)CC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])O1	ZINC000330595155	328464883	/nfs/dbraw/zinc/46/48/83/328464883.db2.gz	BLAFWNJXDBEZLX-SNVBAGLBSA-N	-1	0	294.307	2.563	20	30		CFEDRM
CC(C)(C)c1nc(=NCCc2cccc(C#N)c2)s[n-]1	ZINC000582626583	325220637	/nfs/dbraw/zinc/22/06/37/325220637.db2.gz	ZYCDCQLSYUUCAH-UHFFFAOYSA-N	-1	0	286.404	2.784	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000569708775	327539144	/nfs/dbraw/zinc/53/91/44/327539144.db2.gz	SOYHQSCVNSAZPB-UHFFFAOYSA-N	-1	0	276.336	2.564	20	30		CFEDRM
C#C[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1F	ZINC000491091931	332147831	/nfs/dbraw/zinc/14/78/31/332147831.db2.gz	AHCMYUIYQCACNK-SECBINFHSA-N	-1	0	261.630	2.535	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)c1cc(C(=O)[O-])co1	ZINC000183753576	329250066	/nfs/dbraw/zinc/25/00/66/329250066.db2.gz	CBJGVAXQDRPGTA-UHFFFAOYSA-N	-1	0	291.328	2.868	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000398087927	329433262	/nfs/dbraw/zinc/43/32/62/329433262.db2.gz	MYVANBLOBHCGPP-IGQOVBAYSA-N	-1	0	294.395	2.626	20	30		CFEDRM
C=CCN(CC=C)Cc1nc2cc(C(=O)[O-])ccc2n1CC	ZINC000583818246	329483071	/nfs/dbraw/zinc/48/30/71/329483071.db2.gz	SMIHRBODMVKPMK-UHFFFAOYSA-N	-1	0	299.374	2.928	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000237962711	329695207	/nfs/dbraw/zinc/69/52/07/329695207.db2.gz	MKEDEBJKCNSFTC-UHFFFAOYSA-N	-1	0	287.237	2.575	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000262272925	330003399	/nfs/dbraw/zinc/00/33/99/330003399.db2.gz	YIASWCZYJCRJIZ-INIZCTEOSA-N	-1	0	299.370	2.965	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262358099	330007908	/nfs/dbraw/zinc/00/79/08/330007908.db2.gz	GFCYRIBGQPYNFM-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(C)CCCCCC1)C(=O)[O-]	ZINC000262935703	330036272	/nfs/dbraw/zinc/03/62/72/330036272.db2.gz	PJLOPDGQSNQVLD-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000262887162	330036302	/nfs/dbraw/zinc/03/63/02/330036302.db2.gz	LCODLTHCLLMMIV-CQSZACIVSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000263130616	330044995	/nfs/dbraw/zinc/04/49/95/330044995.db2.gz	XSMVKDKHJLEVPG-BXUZGUMPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1	ZINC000263137518	330045404	/nfs/dbraw/zinc/04/54/04/330045404.db2.gz	HXHGGUPPRMZKRB-UMVBOHGHSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CCCC2)c1	ZINC000263342263	330052663	/nfs/dbraw/zinc/05/26/63/330052663.db2.gz	SGKUSXLRYGFIJR-NSHDSACASA-N	-1	0	286.331	2.897	20	30		CFEDRM
C=CCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000263342772	330052668	/nfs/dbraw/zinc/05/26/68/330052668.db2.gz	FTRDAWDDYWOPIZ-ZDUSSCGKSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000263514566	330058686	/nfs/dbraw/zinc/05/86/86/330058686.db2.gz	DIQCEEMIFXQBJW-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC[C@@H](CC)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000572409120	330062405	/nfs/dbraw/zinc/06/24/05/330062405.db2.gz	ZNMXOAXRVGRHMS-SECBINFHSA-N	-1	0	279.296	2.763	20	30		CFEDRM
C=CCC[C@@H](CO)N=c1nc(-c2ccccc2C)[n-]s1	ZINC000528031496	330305354	/nfs/dbraw/zinc/30/53/54/330305354.db2.gz	VMMFFVTWUPBRRD-LBPRGKRZSA-N	-1	0	289.404	2.674	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000088476000	330376672	/nfs/dbraw/zinc/37/66/72/330376672.db2.gz	MPTGVUSBQWTXGD-MRVPVSSYSA-N	-1	0	276.720	2.523	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1C	ZINC000097513323	330446047	/nfs/dbraw/zinc/44/60/47/330446047.db2.gz	KIAXKENICMZLSP-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)o1	ZINC000429565470	330549401	/nfs/dbraw/zinc/54/94/01/330549401.db2.gz	HMQYKLOGIMSYGY-GFCCVEGCSA-N	-1	0	294.314	2.966	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1	ZINC000429569525	330549689	/nfs/dbraw/zinc/54/96/89/330549689.db2.gz	MLGIPFXHFAGQBW-VIFPVBQESA-N	-1	0	297.343	2.521	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000449149563	330901833	/nfs/dbraw/zinc/90/18/33/330901833.db2.gz	XFSSIZYWHHFGNV-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1ncc(CCCC)cn1	ZINC000451097396	331015491	/nfs/dbraw/zinc/01/54/91/331015491.db2.gz	DQUHCWNGELAILS-UHFFFAOYSA-N	-1	0	283.397	2.527	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H](O)C2CCCCC2)s1	ZINC000473782670	331557503	/nfs/dbraw/zinc/55/75/03/331557503.db2.gz	QIWDLLNQNVJLOO-LLVKDONJSA-N	-1	0	299.465	2.591	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)[O-]	ZINC000517282215	333096926	/nfs/dbraw/zinc/09/69/26/333096926.db2.gz	CHVAUDXJDURQHY-CYBMUJFWSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000233295282	333350950	/nfs/dbraw/zinc/35/09/50/333350950.db2.gz	CPQKBXFMRXTQNM-JTQLQIEISA-N	-1	0	251.713	2.577	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000233358327	333351854	/nfs/dbraw/zinc/35/18/54/333351854.db2.gz	CPQKBXFMRXTQNM-SNVBAGLBSA-N	-1	0	251.713	2.577	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C\c1cccc(C)c1)C(=O)[O-]	ZINC000316729972	333403770	/nfs/dbraw/zinc/40/37/70/333403770.db2.gz	YXOATRAUMGBSSO-CFYYFVFUSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=CCCCNC(=O)c1cccc(Br)c1[O-]	ZINC000548065080	334137921	/nfs/dbraw/zinc/13/79/21/334137921.db2.gz	CMGGVOCTBZFJML-UHFFFAOYSA-N	-1	0	284.153	2.851	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000262879455	334576366	/nfs/dbraw/zinc/57/63/66/334576366.db2.gz	KKQUXRSSUYPXLW-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000263527677	334605239	/nfs/dbraw/zinc/60/52/39/334605239.db2.gz	KWKLFJBCHLHRJA-LBPRGKRZSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000566436875	334648978	/nfs/dbraw/zinc/64/89/78/334648978.db2.gz	SFQAKLPSWWVZIL-QMMMGPOBSA-N	-1	0	286.253	2.643	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000566984836	334672009	/nfs/dbraw/zinc/67/20/09/334672009.db2.gz	UYDYBTUGZASWOK-QWHCGFSZSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCCCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000572855052	334884869	/nfs/dbraw/zinc/88/48/69/334884869.db2.gz	VSTKOSSYUAVUFA-UHFFFAOYSA-N	-1	0	274.773	2.978	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000384846325	336132666	/nfs/dbraw/zinc/13/26/66/336132666.db2.gz	KCHGDUKDMIAZMK-QGZVFWFLSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CC(C)(C)CNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000384887068	336133782	/nfs/dbraw/zinc/13/37/82/336133782.db2.gz	WUEOLVPVKXTHGZ-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc([O-])c(F)c2F)n1	ZINC001243339356	782143925	/nfs/dbraw/zinc/14/39/25/782143925.db2.gz	OUWBCSYLNZGTDA-UHFFFAOYSA-N	-1	0	261.231	2.561	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc([O-])c(F)c2F)n1	ZINC001243339798	782144377	/nfs/dbraw/zinc/14/43/77/782144377.db2.gz	UWJMACZHGSIUFG-UHFFFAOYSA-N	-1	0	279.271	2.721	20	30		CFEDRM
N#Cc1cc(-c2ccc([O-])c(F)c2F)cnc1F	ZINC001243342209	782147790	/nfs/dbraw/zinc/14/77/90/782147790.db2.gz	ATBQGUVGOKTVSD-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
CSc1ccc(C)c(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354470478	534191395	/nfs/dbraw/zinc/19/13/95/534191395.db2.gz	RREOMSPLFISIGQ-CYBMUJFWSA-N	-1	0	283.356	2.997	20	30		CFEDRM
CC(C)c1ccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)nc1	ZINC000361914540	519834989	/nfs/dbraw/zinc/83/49/89/519834989.db2.gz	PXCLECFXVUOBJL-UHFFFAOYSA-N	-1	0	297.362	2.528	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000262213020	534564137	/nfs/dbraw/zinc/56/41/37/534564137.db2.gz	WDALZFNAGLRHDU-ILXRZTDVSA-N	-1	0	291.391	2.999	20	30		CFEDRM
CCc1ccsc1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361915619	521993919	/nfs/dbraw/zinc/99/39/19/521993919.db2.gz	WWOWKKDRFUKLGM-UHFFFAOYSA-N	-1	0	288.376	2.634	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1F	ZINC000311912892	524690299	/nfs/dbraw/zinc/69/02/99/524690299.db2.gz	FFGFKAMTVKDAIE-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230333647	524997068	/nfs/dbraw/zinc/99/70/68/524997068.db2.gz	NWSXUXYJMMFCDR-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(F)c1	ZINC000230334267	525299790	/nfs/dbraw/zinc/29/97/90/525299790.db2.gz	KUGPXNBOEVPXID-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)o1	ZINC000336002675	525593443	/nfs/dbraw/zinc/59/34/43/525593443.db2.gz	RKJOBQBKIARISC-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
C=CCCCCNC(=O)N=c1[n-]nc(SCC)s1	ZINC000352336116	527155498	/nfs/dbraw/zinc/15/54/98/527155498.db2.gz	MMJNENZDDUFAHV-UHFFFAOYSA-N	-1	0	286.426	2.550	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000350640701	527289167	/nfs/dbraw/zinc/28/91/67/527289167.db2.gz	XOTDMFSDBWIRHO-UWVGGRQHSA-N	-1	0	298.412	2.534	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc(-c2ccncc2)cs1	ZINC000744062274	574051824	/nfs/dbraw/zinc/05/18/24/574051824.db2.gz	HWEXHQGHNXUTTE-LBPRGKRZSA-N	-1	0	297.339	2.686	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736463127	574056405	/nfs/dbraw/zinc/05/64/05/574056405.db2.gz	IBRMGBPLMPVYEK-UHFFFAOYSA-N	-1	0	275.308	2.541	20	30		CFEDRM
C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736556243	574060351	/nfs/dbraw/zinc/06/03/51/574060351.db2.gz	LPPNNLRVEFOIHR-MEBBXXQBSA-N	-1	0	287.315	2.663	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)cc(C)c1	ZINC000730434043	574081411	/nfs/dbraw/zinc/08/14/11/574081411.db2.gz	YNOSBNYEXACVRY-UHFFFAOYSA-N	-1	0	280.335	2.806	20	30		CFEDRM
C=CCCC(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000738487611	574090616	/nfs/dbraw/zinc/09/06/16/574090616.db2.gz	ABVZDKYNLXTDQB-UHFFFAOYSA-N	-1	0	262.309	2.701	20	30		CFEDRM
CCCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736983286	574091078	/nfs/dbraw/zinc/09/10/78/574091078.db2.gz	DLROKOKHOSTQRT-CQSZACIVSA-N	-1	0	275.304	2.807	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1	ZINC000738488000	574091185	/nfs/dbraw/zinc/09/11/85/574091185.db2.gz	FGVHLZFVGYADSE-UHFFFAOYSA-N	-1	0	264.281	2.690	20	30		CFEDRM
N#Cc1cccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000751131406	574094203	/nfs/dbraw/zinc/09/42/03/574094203.db2.gz	VLSBKMJZAIAWKI-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000738493050	574095369	/nfs/dbraw/zinc/09/53/69/574095369.db2.gz	JFAUWYOROUADRW-MJBXVCDLSA-N	-1	0	294.395	2.722	20	30		CFEDRM
CC(C)N(CCCNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000738847317	574097839	/nfs/dbraw/zinc/09/78/39/574097839.db2.gz	BXZPFPAIPNDETA-UHFFFAOYSA-N	-1	0	279.315	2.888	20	30		CFEDRM
CCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)s1	ZINC000731155667	574111273	/nfs/dbraw/zinc/11/12/73/574111273.db2.gz	OLSLELRINNDOJQ-AFNCTOJWSA-N	-1	0	290.340	2.539	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\C[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000737203664	574118249	/nfs/dbraw/zinc/11/82/49/574118249.db2.gz	RBOUFVSMRSDPGX-ZLYHGVDXSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CCOc1cccc(/C=N/C2CCC(C(=O)[O-])CC2)c1O	ZINC000737210908	574118597	/nfs/dbraw/zinc/11/85/97/574118597.db2.gz	OXNKTOGXBQIADG-LICLKQGHSA-N	-1	0	291.347	2.853	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccc(F)c2O)cc1	ZINC000755454381	574162981	/nfs/dbraw/zinc/16/29/81/574162981.db2.gz	FLABKVGTAAFXGS-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2ccccc2[N+](=O)[O-])c1	ZINC000755465728	574163780	/nfs/dbraw/zinc/16/37/80/574163780.db2.gz	OSUVJBXPRBOSHM-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=CC2CCOCC2)n1	ZINC000732707846	574166207	/nfs/dbraw/zinc/16/62/07/574166207.db2.gz	HCGZLDJMPPAFPK-ZZKXABKFSA-N	-1	0	276.361	2.611	20	30		CFEDRM
N#Cc1nc(NCc2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000738435791	574169252	/nfs/dbraw/zinc/16/92/52/574169252.db2.gz	UCMOPBYPBDVMNC-UHFFFAOYSA-N	-1	0	287.706	2.917	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738485318	574170709	/nfs/dbraw/zinc/17/07/09/574170709.db2.gz	IBKGVISAPUMCJM-UHFFFAOYSA-N	-1	0	291.376	2.590	20	30		CFEDRM
C=CCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738492800	574171307	/nfs/dbraw/zinc/17/13/07/574171307.db2.gz	HWWRWPCICCDARC-UHFFFAOYSA-N	-1	0	260.337	2.783	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CCCF	ZINC000747135156	574181385	/nfs/dbraw/zinc/18/13/85/574181385.db2.gz	GKEHBVUBXVDQJW-UHFFFAOYSA-N	-1	0	281.393	2.543	20	30		CFEDRM
C[C@@H](NC(=O)[O-])C1CCN(c2cccc(F)c2C#N)CC1	ZINC000739017028	574192953	/nfs/dbraw/zinc/19/29/53/574192953.db2.gz	MIAABHXBCUAJFP-SNVBAGLBSA-N	-1	0	291.326	2.570	20	30		CFEDRM
Cc1ccnc(N=NCc2cccc(O[C@H](C)C(=O)[O-])c2)c1	ZINC000755906612	574196586	/nfs/dbraw/zinc/19/65/86/574196586.db2.gz	NUSAEVOHHGFSSM-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
N#CC1(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1	ZINC000739076095	574196637	/nfs/dbraw/zinc/19/66/37/574196637.db2.gz	YWQYYCLGESURDF-CYBMUJFWSA-N	-1	0	298.342	2.675	20	30		CFEDRM
N#CC1(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1	ZINC000739076096	574196810	/nfs/dbraw/zinc/19/68/10/574196810.db2.gz	YWQYYCLGESURDF-ZDUSSCGKSA-N	-1	0	298.342	2.675	20	30		CFEDRM
N#CCc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000739092751	574198106	/nfs/dbraw/zinc/19/81/06/574198106.db2.gz	WDYSVTMUKIWUGA-INIZCTEOSA-N	-1	0	291.310	2.862	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000739104601	574198760	/nfs/dbraw/zinc/19/87/60/574198760.db2.gz	HGCMRXNPGNKVAQ-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)C=C2CCCC2)C(=O)[O-])cc1	ZINC000739110955	574199172	/nfs/dbraw/zinc/19/91/72/574199172.db2.gz	SWHXEKSRSRXECF-HNNXBMFYSA-N	-1	0	285.299	2.728	20	30		CFEDRM
N#Cc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1	ZINC000739119264	574199269	/nfs/dbraw/zinc/19/92/69/574199269.db2.gz	XPTLMMQKQYSXIS-NTEUORMPSA-N	-1	0	250.257	2.578	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2ccsc2)C(=O)[O-])cc1	ZINC000739118553	574199271	/nfs/dbraw/zinc/19/92/71/574199271.db2.gz	TUPTTXIXRSHOGO-GFCCVEGCSA-N	-1	0	287.296	2.602	20	30		CFEDRM
CCOc1ccc(/C=N/C[C@H](NC(=O)[O-])C(C)C)c(O)c1	ZINC000739498129	574215316	/nfs/dbraw/zinc/21/53/16/574215316.db2.gz	QMKNIAJRCFTVKD-MJOIQJIUSA-N	-1	0	294.351	2.502	20	30		CFEDRM
CC[C@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000756231899	574217394	/nfs/dbraw/zinc/21/73/94/574217394.db2.gz	PFMKAPCKTLQOHG-NHYWBVRUSA-N	-1	0	284.359	2.801	20	30		CFEDRM
CN(C(=O)[O-])[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1	ZINC000739586706	574220165	/nfs/dbraw/zinc/22/01/65/574220165.db2.gz	IFQKMLYBWAVHAK-LBPRGKRZSA-N	-1	0	293.754	2.790	20	30		CFEDRM
C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748003455	574224585	/nfs/dbraw/zinc/22/45/85/574224585.db2.gz	VXVBTSYQLUFQNV-XHDPSFHLSA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C([O-])COc1ccc(C(=O)/C=C\c2nccs2)cc1	ZINC000739819614	574225454	/nfs/dbraw/zinc/22/54/54/574225454.db2.gz	VLSPJFVLVNOYRT-WAYWQWQTSA-N	-1	0	289.312	2.503	20	30		CFEDRM
N#Cc1csc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000748073923	574227277	/nfs/dbraw/zinc/22/72/77/574227277.db2.gz	AEMDALRQXHGHIF-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NCCN(C(=O)[O-])C1CC1	ZINC000740310259	574246557	/nfs/dbraw/zinc/24/65/57/574246557.db2.gz	DFDPFBHTNBTFKH-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)nc2ccccc12	ZINC000740313070	574246662	/nfs/dbraw/zinc/24/66/62/574246662.db2.gz	INKKAWWQBWYCFM-GFCCVEGCSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000740313239	574246780	/nfs/dbraw/zinc/24/67/80/574246780.db2.gz	RTNRYRCAVGOLEK-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1cnc(NCCCN(C(=O)[O-])C2CC2)c(Cl)c1	ZINC000740322125	574247297	/nfs/dbraw/zinc/24/72/97/574247297.db2.gz	PKFVTPITTJHRNT-UHFFFAOYSA-N	-1	0	294.742	2.551	20	30		CFEDRM
Cc1nc(CCC(=O)Nc2cc(C#N)ccc2[O-])cs1	ZINC000748410405	574251016	/nfs/dbraw/zinc/25/10/16/574251016.db2.gz	KZVBIYXMBGIEIO-UHFFFAOYSA-N	-1	0	287.344	2.600	20	30		CFEDRM
Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000748411209	574251385	/nfs/dbraw/zinc/25/13/85/574251385.db2.gz	MAXSTOUYXMBVAO-LBPRGKRZSA-N	-1	0	298.346	2.667	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CC1CC1	ZINC000733701088	574252411	/nfs/dbraw/zinc/25/24/11/574252411.db2.gz	AGNKRGHYARLNEY-UHFFFAOYSA-N	-1	0	275.414	2.593	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])OCC	ZINC000756787231	574262781	/nfs/dbraw/zinc/26/27/81/574262781.db2.gz	HUIZTLQRYOPTRG-CQSZACIVSA-N	-1	0	274.320	2.574	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC(C)C	ZINC000756899122	574271385	/nfs/dbraw/zinc/27/13/85/574271385.db2.gz	QXJGCYHVPGCBRU-UHFFFAOYSA-N	-1	0	250.298	2.837	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C)cn1	ZINC000756905782	574271887	/nfs/dbraw/zinc/27/18/87/574271887.db2.gz	KEPVGQINNFWOLZ-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
CC[C@H](C)CN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905778	574272288	/nfs/dbraw/zinc/27/22/88/574272288.db2.gz	KAQIYFBDZWJDOE-VIFPVBQESA-N	-1	0	250.298	2.837	20	30		CFEDRM
CC[C@H](CC1CCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000734092292	574273862	/nfs/dbraw/zinc/27/38/62/574273862.db2.gz	JXTQPZHSWQTPJI-LLVKDONJSA-N	-1	0	285.351	2.698	20	30		CFEDRM
CCC(CC)NN=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000734366626	574284279	/nfs/dbraw/zinc/28/42/79/574284279.db2.gz	ZWRXJDHTBCURRI-LLVKDONJSA-N	-1	0	278.352	2.651	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749586090	574301046	/nfs/dbraw/zinc/30/10/46/574301046.db2.gz	ARTFPNQORCGFHA-XQRVVYSFSA-N	-1	0	287.275	2.536	20	30		CFEDRM
CC(C)C1N=NC(=S)N1N=Cc1cc(F)c([O-])c(F)c1	ZINC000749853863	574312356	/nfs/dbraw/zinc/31/23/56/574312356.db2.gz	CMOLRRVZGLXEJD-UHFFFAOYSA-N	-1	0	298.318	2.556	20	30		CFEDRM
COc1cccc(O)c1/C=N/C[C@H](O)CC(C)(C)C	ZINC000735228784	574315963	/nfs/dbraw/zinc/31/59/63/574315963.db2.gz	HUWYKSFCPRXETK-HPUUJOOBSA-N	-1	0	265.353	2.617	20	30		CFEDRM
C=CCCCSc1nc(C)cc(C)c1-c1nn[nH]n1	ZINC000735412500	574322545	/nfs/dbraw/zinc/32/25/45/574322545.db2.gz	DPSJGLLBZRMELQ-UHFFFAOYSA-N	-1	0	275.381	2.937	20	30		CFEDRM
C=CCCCN(C)c1ccc(Cl)cc1-c1nn[nH]n1	ZINC000735412620	574322742	/nfs/dbraw/zinc/32/27/42/574322742.db2.gz	FRKDOOGXGQWYLN-UHFFFAOYSA-N	-1	0	277.759	2.923	20	30		CFEDRM
C=CCCCN(C)c1cc(Cl)ccc1-c1nn[nH]n1	ZINC000735412941	574322911	/nfs/dbraw/zinc/32/29/11/574322911.db2.gz	NECVBKBEYFVNGY-UHFFFAOYSA-N	-1	0	277.759	2.923	20	30		CFEDRM
N#CC1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCCC1	ZINC000739066201	574342609	/nfs/dbraw/zinc/34/26/09/574342609.db2.gz	HPOSYDSGJVIGGD-UHFFFAOYSA-N	-1	0	298.342	2.701	20	30		CFEDRM
C=CCCCOC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000736102328	574350044	/nfs/dbraw/zinc/35/00/44/574350044.db2.gz	GIQAFMSRYIWWDA-UHFFFAOYSA-N	-1	0	265.309	2.707	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736108412	574350251	/nfs/dbraw/zinc/35/02/51/574350251.db2.gz	DSLVIULYDWDOQU-UHFFFAOYSA-N	-1	0	260.293	2.591	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C(C)C	ZINC000736108276	574350394	/nfs/dbraw/zinc/35/03/94/574350394.db2.gz	RTMCGOYRDFPOQC-UHFFFAOYSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C#CCOc1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000736087217	574350428	/nfs/dbraw/zinc/35/04/28/574350428.db2.gz	DZDYMBXUHAADSZ-UHFFFAOYSA-N	-1	0	282.295	2.976	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736094438	574350733	/nfs/dbraw/zinc/35/07/33/574350733.db2.gz	GASRVQXMDZMQDR-UHFFFAOYSA-N	-1	0	269.688	2.651	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000736090745	574350807	/nfs/dbraw/zinc/35/08/07/574350807.db2.gz	JCOARAJJNCYKKH-UHFFFAOYSA-N	-1	0	279.295	2.643	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C(C)(C)NC(=O)[O-])c1	ZINC000736094853	574350890	/nfs/dbraw/zinc/35/08/90/574350890.db2.gz	ZQSCPIDWFQEXRP-UHFFFAOYSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000736096858	574351029	/nfs/dbraw/zinc/35/10/29/574351029.db2.gz	SNZYBSZKIJWTDE-LLVKDONJSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccncc1	ZINC000736096735	574351334	/nfs/dbraw/zinc/35/13/34/574351334.db2.gz	SBHGITGDKPDPRW-OAHLLOKOSA-N	-1	0	296.326	2.827	20	30		CFEDRM
CC(C)(C)/C=C/C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250035	574356997	/nfs/dbraw/zinc/35/69/97/574356997.db2.gz	FPPGSGTXANWSCW-VFNNOXKTSA-N	-1	0	287.315	2.829	20	30		CFEDRM
CC(C)(C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250524	574357179	/nfs/dbraw/zinc/35/71/79/574357179.db2.gz	HAWUPNQDJWMUEW-CYBMUJFWSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC(C)(C)CN(CCC#N)Cc1cc(C(=O)[O-])co1	ZINC000736262223	574358331	/nfs/dbraw/zinc/35/83/31/574358331.db2.gz	YINVRTITCFCBSA-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
CCC(N=Nc1nnc(C)c(=O)[n-]1)C1CCCCC1	ZINC000750920684	574362843	/nfs/dbraw/zinc/36/28/43/574362843.db2.gz	BPQLRUQNKMOMPV-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cc2)[C@H]2CCCO[C@@H]21	ZINC000743418693	574363705	/nfs/dbraw/zinc/36/37/05/574363705.db2.gz	GXHVCEYKNYQOLK-OCCSQVGLSA-N	-1	0	288.347	2.988	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C2CC2)C(=O)O1	ZINC000751031668	574368682	/nfs/dbraw/zinc/36/86/82/574368682.db2.gz	BDETXWDHIMCBDY-JJEJIETFSA-N	-1	0	296.322	2.792	20	30		CFEDRM
O=C1c2ccccc2OC/C1=C\c1cc([O-])ccc1[N+](=O)[O-]	ZINC000751205757	574371967	/nfs/dbraw/zinc/37/19/67/574371967.db2.gz	SVXQWFQTEITLNU-YRNVUSSQSA-N	-1	0	297.266	2.959	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C(O)C1=COCC1	ZINC000744016085	574375777	/nfs/dbraw/zinc/37/57/77/574375777.db2.gz	IVBHNMMZIDSYIP-CYBMUJFWSA-N	-1	0	294.310	2.672	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2ccccc2o1	ZINC000752478474	574391823	/nfs/dbraw/zinc/39/18/23/574391823.db2.gz	JHWMVJWPBFUTEZ-SNVBAGLBSA-N	-1	0	276.255	2.518	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000753163065	574399669	/nfs/dbraw/zinc/39/96/69/574399669.db2.gz	STYNURXXZGZONW-AWEZNQCLSA-N	-1	0	278.739	2.811	20	30		CFEDRM
CCN(Cc1cc(C(=O)[O-])sc1C)C[C@H](C)C#N	ZINC000155970501	601620571	/nfs/dbraw/zinc/62/05/71/601620571.db2.gz	PLWWIYJNEBBNCJ-SECBINFHSA-N	-1	0	266.366	2.736	20	30		CFEDRM
CC(C)C[C@@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC000817878228	597016191	/nfs/dbraw/zinc/01/61/91/597016191.db2.gz	CXKRZXNEKYFAAJ-KDVQLTRESA-N	-1	0	286.331	2.859	20	30		CFEDRM
Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)[O-])n1	ZINC000022864170	597050458	/nfs/dbraw/zinc/05/04/58/597050458.db2.gz	VCWBGQXKYAWEFC-ZCFIWIBFSA-N	-1	0	290.266	2.846	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000136015928	597202089	/nfs/dbraw/zinc/20/20/89/597202089.db2.gz	MESLMCVDIBUDGU-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
N#CCCN(Cc1ccc(C(=O)[O-])cc1)Cc1cccnc1	ZINC000314274271	597351882	/nfs/dbraw/zinc/35/18/82/597351882.db2.gz	APAXBCUJAUNLIH-UHFFFAOYSA-N	-1	0	295.342	2.696	20	30		CFEDRM
N#Cc1cc(C(=O)NCCCCCC(=O)[O-])ccc1Cl	ZINC000821329831	597671507	/nfs/dbraw/zinc/67/15/07/597671507.db2.gz	MNLZZPIULJNGBH-UHFFFAOYSA-N	-1	0	294.738	2.586	20	30		CFEDRM
CCCCCCCS(=O)(=O)Nc1[nH]nc(C)c1C	ZINC000194796887	618941287	/nfs/dbraw/zinc/94/12/87/618941287.db2.gz	LLAIKFSAVBEGNR-UHFFFAOYSA-N	-1	0	273.402	2.739	20	30		CFEDRM
CC(=NNCCC(=O)[O-])[C@@H](C)c1nc2ccccc2s1	ZINC000819726795	597740877	/nfs/dbraw/zinc/74/08/77/597740877.db2.gz	QQQNLKRGVTWBOI-SECBINFHSA-N	-1	0	291.376	2.840	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ncnc3sccc32)CC1	ZINC000814767767	598096267	/nfs/dbraw/zinc/09/62/67/598096267.db2.gz	UBAQZNQMKIUPSO-UHFFFAOYSA-N	-1	0	290.348	2.734	20	30		CFEDRM
N#Cc1ccc(CCC(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000821329711	598180927	/nfs/dbraw/zinc/18/09/27/598180927.db2.gz	GFQNHFIXUULACW-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cc(O)cc(O)c2)c1	ZINC000126489686	598201592	/nfs/dbraw/zinc/20/15/92/598201592.db2.gz	HGFBWAXVYYOPOT-SNAWJCMRSA-N	-1	0	284.267	2.692	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C\c1cccc(C(=O)[O-])c1	ZINC000774127058	598201784	/nfs/dbraw/zinc/20/17/84/598201784.db2.gz	PRAFJRSLLCFSHP-FPLPWBNLSA-N	-1	0	284.315	2.631	20	30		CFEDRM
Cc1ccc(Cl)cc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821083384	598221962	/nfs/dbraw/zinc/22/19/62/598221962.db2.gz	DEZGVCYFIAOEQN-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1	ZINC000820113966	598222429	/nfs/dbraw/zinc/22/24/29/598222429.db2.gz	JFZXFOIIMKUKST-YMTOWFKASA-N	-1	0	294.738	2.522	20	30		CFEDRM
CC(C)C1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962622	598230854	/nfs/dbraw/zinc/23/08/54/598230854.db2.gz	QVAFJWBTCRTPPL-SEEARECTSA-N	-1	0	294.395	2.570	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000864184928	620205207	/nfs/dbraw/zinc/20/52/07/620205207.db2.gz	ZGUFKKPYNUCNNA-QWRGUYRKSA-N	-1	0	275.776	2.915	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C#N)c(F)c1	ZINC000133357324	599968911	/nfs/dbraw/zinc/96/89/11/599968911.db2.gz	HAKPZTGEQUOPSY-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000037827705	600061798	/nfs/dbraw/zinc/06/17/98/600061798.db2.gz	DTSCQXIEVZTTHR-ZJUUUORDSA-N	-1	0	299.779	2.637	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000136008300	600274649	/nfs/dbraw/zinc/27/46/49/600274649.db2.gz	HVHBCRVNMBIJHF-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000044752647	600477471	/nfs/dbraw/zinc/47/74/71/600477471.db2.gz	DLHFUJJYQDRSFY-UHFFFAOYSA-N	-1	0	266.684	2.526	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1ccc(F)cc1C#N	ZINC000090097244	600583943	/nfs/dbraw/zinc/58/39/43/600583943.db2.gz	OYPRWXWGILHVLH-MRVPVSSYSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1cn2ccccc2c1C#N	ZINC000090098091	600590935	/nfs/dbraw/zinc/59/09/35/600590935.db2.gz	DNQCUFAKSWEKHL-SNVBAGLBSA-N	-1	0	274.345	2.907	20	30		CFEDRM
C[C@H](C#N)CN(C)CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000825966889	600821384	/nfs/dbraw/zinc/82/13/84/600821384.db2.gz	OYABZUPIZODOET-SNVBAGLBSA-N	-1	0	296.754	2.508	20	30		CFEDRM
C#CCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605837	600822592	/nfs/dbraw/zinc/82/25/92/600822592.db2.gz	SJGKIMTXMDDZHC-VURMDHGXSA-N	-1	0	274.276	2.518	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccc3c(c2)COC3)o1	ZINC000833094444	600830271	/nfs/dbraw/zinc/83/02/71/600830271.db2.gz	HMUXMPAYKGRRPD-HYXAFXHYSA-N	-1	0	284.267	2.904	20	30		CFEDRM
O=C([O-])c1occc1/C=C1/CCc2c(O)cccc2C1=O	ZINC000833355211	600830875	/nfs/dbraw/zinc/83/08/75/600830875.db2.gz	KDTBVHLXIBEWPD-HJWRWDBZSA-N	-1	0	284.267	2.896	20	30		CFEDRM
C=CCOCCCC(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000825698454	600861763	/nfs/dbraw/zinc/86/17/63/600861763.db2.gz	IJRVBLFPMCRXIK-UHFFFAOYSA-N	-1	0	279.292	2.665	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccn1	ZINC000829356737	600914633	/nfs/dbraw/zinc/91/46/33/600914633.db2.gz	JCXWEFPJUFKSPS-CQSZACIVSA-N	-1	0	278.352	2.684	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F	ZINC000111476072	600927952	/nfs/dbraw/zinc/92/79/52/600927952.db2.gz	ILAVDRJBBBCSEB-NXEZZACHSA-N	-1	0	290.294	2.527	20	30		CFEDRM
C#CCCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000229854456	601013432	/nfs/dbraw/zinc/01/34/32/601013432.db2.gz	BCUAOKATNXKMSV-UHFFFAOYSA-N	-1	0	280.711	2.573	20	30		CFEDRM
N#Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1	ZINC000833074152	601060450	/nfs/dbraw/zinc/06/04/50/601060450.db2.gz	QCCMXNARBGVCCD-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
Cc1cc(OCC(=O)[O-])ccc1NCc1cccc(C#N)c1	ZINC000832900982	601248665	/nfs/dbraw/zinc/24/86/65/601248665.db2.gz	RTCCVQYATSEZRA-UHFFFAOYSA-N	-1	0	296.326	2.942	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)[O-])c2)s1	ZINC000833072085	601278003	/nfs/dbraw/zinc/27/80/03/601278003.db2.gz	OIRDQZZDTPCDAP-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
CN(Cc1cccs1)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830865089	601297669	/nfs/dbraw/zinc/29/76/69/601297669.db2.gz	JPGADQNFSYIGKT-AWEZNQCLSA-N	-1	0	286.356	2.877	20	30		CFEDRM
COCc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000831821616	601299408	/nfs/dbraw/zinc/29/94/08/601299408.db2.gz	BRWLRCAFUBZBPN-MRXNPFEDSA-N	-1	0	296.326	2.942	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Oc3ccc(Cl)cc3C2=O)[nH]1	ZINC000833312667	601332140	/nfs/dbraw/zinc/33/21/40/601332140.db2.gz	SHTISOUVDZBPNY-WUXMJOGZSA-N	-1	0	289.674	2.983	20	30		CFEDRM
CCCCCC[C@@H](C)NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000829357678	601337227	/nfs/dbraw/zinc/33/72/27/601337227.db2.gz	TWTBHHWFADOSRX-LLVKDONJSA-N	-1	0	265.357	2.995	20	30		CFEDRM
CC(C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826677808	601353409	/nfs/dbraw/zinc/35/34/09/601353409.db2.gz	ZTVOXGDGXOEURD-GXFFZTMASA-N	-1	0	275.304	2.519	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CC23CCCC3)C(=O)[O-])c1	ZINC000833076282	601355798	/nfs/dbraw/zinc/35/57/98/601355798.db2.gz	SYVFXDPHIDTZTM-UONOGXRCSA-N	-1	0	299.326	2.807	20	30		CFEDRM
CCCCC[C@H](/N=C\c1cc(OC)ccc1O)C(=O)[O-]	ZINC000829312165	601365382	/nfs/dbraw/zinc/36/53/82/601365382.db2.gz	SSQAJJXJQCDYRN-ATTDUZETSA-N	-1	0	279.336	2.853	20	30		CFEDRM
Cc1cc(CN(CCC#N)Cc2ccccn2)oc1C(=O)[O-]	ZINC000832881567	601376228	/nfs/dbraw/zinc/37/62/28/601376228.db2.gz	GNOYRUOQVYHZLN-UHFFFAOYSA-N	-1	0	299.330	2.597	20	30		CFEDRM
C=CCCCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-]	ZINC000825671293	601436909	/nfs/dbraw/zinc/43/69/09/601436909.db2.gz	KUHZFQORHWPYRC-ZDUSSCGKSA-N	-1	0	293.338	2.542	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000825671574	601437131	/nfs/dbraw/zinc/43/71/31/601437131.db2.gz	VCTJQVGHJIDPEA-UHFFFAOYSA-N	-1	0	277.320	2.835	20	30		CFEDRM
C=CCCCC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000825671274	601437757	/nfs/dbraw/zinc/43/77/57/601437757.db2.gz	KCLFGLTWVYJEER-OAHLLOKOSA-N	-1	0	289.375	2.711	20	30		CFEDRM
CN(C)c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000830635896	601445262	/nfs/dbraw/zinc/44/52/62/601445262.db2.gz	UHZJGEVTBIHXMG-POHAHGRESA-N	-1	0	284.315	2.675	20	30		CFEDRM
N#CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000833067677	601445474	/nfs/dbraw/zinc/44/54/74/601445474.db2.gz	HQISTKIRZKRGMU-XBXARRHUSA-N	-1	0	296.282	2.511	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1F	ZINC000832157190	601445487	/nfs/dbraw/zinc/44/54/87/601445487.db2.gz	MZPDRNGBCKDOHX-GQCTYLIASA-N	-1	0	289.262	2.757	20	30		CFEDRM
C#Cc1cccc(NC(=S)N[C@](C)(CC)CC(=O)[O-])c1	ZINC000825636403	601472303	/nfs/dbraw/zinc/47/23/03/601472303.db2.gz	JFWFSXLUAZQGNY-OAHLLOKOSA-N	-1	0	290.388	2.598	20	30		CFEDRM
CCc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)o1	ZINC000830229131	601510739	/nfs/dbraw/zinc/51/07/39/601510739.db2.gz	LFXYPLSYXSBXOP-QPJJXVBHSA-N	-1	0	259.261	2.764	20	30		CFEDRM
CCCCCCCCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000111249193	601699158	/nfs/dbraw/zinc/69/91/58/601699158.db2.gz	WOAOTBRETYRCJY-STQMWFEESA-N	-1	0	269.385	2.916	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000111248854	601706551	/nfs/dbraw/zinc/70/65/51/601706551.db2.gz	XOLZMXGRAGPLSV-RYUDHWBXSA-N	-1	0	255.358	2.526	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(F)cc2)c[nH]1	ZINC000833092326	601791590	/nfs/dbraw/zinc/79/15/90/601791590.db2.gz	CPHAXMVRWPOTRO-LZCJLJQNSA-N	-1	0	259.236	2.748	20	30		CFEDRM
Cc1ccc2c(c1C)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CO2	ZINC000832959448	601793027	/nfs/dbraw/zinc/79/30/27/601793027.db2.gz	GIANASSRWFJVQN-LFYBBSHMSA-N	-1	0	297.310	2.988	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(Cl)c(F)c2)c[nH]1	ZINC000814861952	601798080	/nfs/dbraw/zinc/79/80/80/601798080.db2.gz	CZFCLMCQPJSYHS-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ccsc1C(=O)[O-]	ZINC000110956282	601828475	/nfs/dbraw/zinc/82/84/75/601828475.db2.gz	SLPARIQYVYKXFZ-UHFFFAOYSA-N	-1	0	252.339	2.570	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000767200553	601849511	/nfs/dbraw/zinc/84/95/11/601849511.db2.gz	JXIMLBXNSIGLSV-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
C=CCCC(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC000825665125	601876586	/nfs/dbraw/zinc/87/65/86/601876586.db2.gz	VEQHSUSCYZWRKZ-UHFFFAOYSA-N	-1	0	266.318	2.735	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000829184950	601881290	/nfs/dbraw/zinc/88/12/90/601881290.db2.gz	RHCUZYMIWGEITL-QWHCGFSZSA-N	-1	0	294.395	2.856	20	30		CFEDRM
C=CCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000825692328	602113284	/nfs/dbraw/zinc/11/32/84/602113284.db2.gz	QFRSXDKWNGIREZ-UHFFFAOYSA-N	-1	0	257.289	2.901	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000192944988	602157980	/nfs/dbraw/zinc/15/79/80/602157980.db2.gz	AUTMBLFNHTZMFE-CQSZACIVSA-N	-1	0	285.343	2.970	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000229757328	602199284	/nfs/dbraw/zinc/19/92/84/602199284.db2.gz	DJLOKJBFHAOVAO-UHFFFAOYSA-N	-1	0	294.738	2.963	20	30		CFEDRM
C=C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000825660178	602323719	/nfs/dbraw/zinc/32/37/19/602323719.db2.gz	YWVRABKOOJINKM-QMMMGPOBSA-N	-1	0	250.254	2.588	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823480875	602965583	/nfs/dbraw/zinc/96/55/83/602965583.db2.gz	QRVPVXCYSQMMOX-JQWIXIFHSA-N	-1	0	296.754	2.500	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])cc1	ZINC000831136829	603197695	/nfs/dbraw/zinc/19/76/95/603197695.db2.gz	KLRFBQSOQAMSOO-TZMCWYRMSA-N	-1	0	273.336	2.797	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCC[C@@H]2CNC(=O)[O-])cc1	ZINC000831136828	603197705	/nfs/dbraw/zinc/19/77/05/603197705.db2.gz	KLRFBQSOQAMSOO-OCCSQVGLSA-N	-1	0	273.336	2.797	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N(C)[C@H](C)C(=O)[O-])c1	ZINC000900355987	620663922	/nfs/dbraw/zinc/66/39/22/620663922.db2.gz	XXMNKJONQMZDDF-SNVBAGLBSA-N	-1	0	262.309	2.657	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000900356014	620663958	/nfs/dbraw/zinc/66/39/58/620663958.db2.gz	YMVWHRFXXNWVHB-ZDUSSCGKSA-N	-1	0	276.336	2.950	20	30		CFEDRM
CC1CC(C#N)(C(=O)Oc2ccc(NC(=O)[O-])cc2)C1	ZINC000825783549	603990596	/nfs/dbraw/zinc/99/05/96/603990596.db2.gz	JNJDDPZUEJATAW-UHFFFAOYSA-N	-1	0	274.276	2.622	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490730	604046897	/nfs/dbraw/zinc/04/68/97/604046897.db2.gz	KJHSPWXLPGTAFD-GXTWGEPZSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H](C)CN(C)C(=O)[O-]	ZINC000823506702	604077746	/nfs/dbraw/zinc/07/77/46/604077746.db2.gz	KNPKKQIUEGKWEY-NSHDSACASA-N	-1	0	296.392	2.509	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(CNc2cccc(C#N)n2)cc1	ZINC000825403176	604347787	/nfs/dbraw/zinc/34/77/87/604347787.db2.gz	UJVQYKUGQCOSTI-LLVKDONJSA-N	-1	0	296.330	2.894	20	30		CFEDRM
C#CCOc1ccccc1CNc1ccc(C(=O)[O-])c(C)n1	ZINC000833366513	604460529	/nfs/dbraw/zinc/46/05/29/604460529.db2.gz	AMQWAJFDKFDDLX-UHFFFAOYSA-N	-1	0	296.326	2.712	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H]2CC(=O)[O-])cc1Cl	ZINC000061845332	604467533	/nfs/dbraw/zinc/46/75/33/604467533.db2.gz	FTETWMMGZDZPAV-JTQLQIEISA-N	-1	0	264.712	2.655	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825660161	604517304	/nfs/dbraw/zinc/51/73/04/604517304.db2.gz	XZSQWTJNKHINGP-SSDOTTSWSA-N	-1	0	254.311	2.532	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000825665393	604559626	/nfs/dbraw/zinc/55/96/26/604559626.db2.gz	ZVHOBRHAXINETB-GXTWGEPZSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000825665394	604559765	/nfs/dbraw/zinc/55/97/65/604559765.db2.gz	ZVHOBRHAXINETB-JSGCOSHPSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)OCC	ZINC000819706092	604568614	/nfs/dbraw/zinc/56/86/14/604568614.db2.gz	NGIIDVZMOXVZIQ-CQSZACIVSA-N	-1	0	291.347	2.624	20	30		CFEDRM
COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1O	ZINC000832281773	604626952	/nfs/dbraw/zinc/62/69/52/604626952.db2.gz	MPNCFTSECUQLQG-WAPJZHGLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
Cc1nc(C#N)c(N=NC(C)[C@H](C)CCCCC(=O)[O-])o1	ZINC000814812925	604637652	/nfs/dbraw/zinc/63/76/52/604637652.db2.gz	QUOWNIYTGJRLCY-SECBINFHSA-N	-1	0	292.339	2.924	20	30		CFEDRM
Cc1cc(N=NC(C)c2ccc(C(=O)[O-])cc2)nc(C)n1	ZINC000825804253	604638655	/nfs/dbraw/zinc/63/86/55/604638655.db2.gz	BQKPDYXOMLGMJG-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
Cc1nc(C(=O)[O-])cn1Cc1ccccc1C(C)(C)C#N	ZINC000832995327	604650326	/nfs/dbraw/zinc/65/03/26/604650326.db2.gz	DAUNXMDWCNKYEW-UHFFFAOYSA-N	-1	0	283.331	2.739	20	30		CFEDRM
Cc1nc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)s1	ZINC000763370954	604666671	/nfs/dbraw/zinc/66/66/71/604666671.db2.gz	WCYANOSUDKQIOQ-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F	ZINC000763377554	604669021	/nfs/dbraw/zinc/66/90/21/604669021.db2.gz	RIJBRYGCDHDCSS-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
CCCCCCCCCC(=O)NC1CN(C(=O)[O-])C1	ZINC000829357931	604755644	/nfs/dbraw/zinc/75/56/44/604755644.db2.gz	VWTUJLQFFSRJNL-UHFFFAOYSA-N	-1	0	270.373	2.606	20	30		CFEDRM
O=C([O-])N1CCCc2cccc(C=NNC3CCCC3)c21	ZINC000832018260	604828464	/nfs/dbraw/zinc/82/84/64/604828464.db2.gz	FDYKSTGNMJJTLC-UHFFFAOYSA-N	-1	0	287.363	2.983	20	30		CFEDRM
CC(C)C[C@@H](CNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000818619080	604829268	/nfs/dbraw/zinc/82/92/68/604829268.db2.gz	VYMDHOZMJIOZGD-ZETCQYMHSA-N	-1	0	287.772	2.827	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000825600383	604886927	/nfs/dbraw/zinc/88/69/27/604886927.db2.gz	MNYMUAHBSGFKLN-CYBMUJFWSA-N	-1	0	278.279	2.729	20	30		CFEDRM
CN(CC#Cc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1	ZINC000833691078	604951246	/nfs/dbraw/zinc/95/12/46/604951246.db2.gz	IMHCALYBWUMWIT-KRWDZBQOSA-N	-1	0	297.329	2.935	20	30		CFEDRM
C=CCN(C(=O)Nc1ccsc1C(=O)[O-])C1CC1	ZINC000833375424	604974305	/nfs/dbraw/zinc/97/43/05/604974305.db2.gz	WTEVYNITOAQKTL-UHFFFAOYSA-N	-1	0	266.322	2.629	20	30		CFEDRM
CC(C)CON=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794923167	604988822	/nfs/dbraw/zinc/98/88/22/604988822.db2.gz	MVZQWJXPEISVKM-LLVKDONJSA-N	-1	0	265.309	2.545	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)c1ccc(C(=O)[O-])s1	ZINC000833373504	604991874	/nfs/dbraw/zinc/99/18/74/604991874.db2.gz	QXCMFXVAOQTHAP-MRVPVSSYSA-N	-1	0	254.307	2.958	20	30		CFEDRM
C=C(CC)CSCc1noc(CCCC(=O)[O-])n1	ZINC000833369717	605007436	/nfs/dbraw/zinc/00/74/36/605007436.db2.gz	BWLBLOQFLRFUJW-UHFFFAOYSA-N	-1	0	270.354	2.676	20	30		CFEDRM
C=C(CC)COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833370391	605015189	/nfs/dbraw/zinc/01/51/89/605015189.db2.gz	NLDZUPSHYUCHBV-UHFFFAOYSA-N	-1	0	252.241	2.647	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCC#Cc1ccc(F)cc1	ZINC000833456116	605032685	/nfs/dbraw/zinc/03/26/85/605032685.db2.gz	DTFQFBQTRARTHR-UHFFFAOYSA-N	-1	0	292.306	2.611	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1ncccc1Cl	ZINC000833407111	605040205	/nfs/dbraw/zinc/04/02/05/605040205.db2.gz	REVCGJKZAAAZBW-SECBINFHSA-N	-1	0	292.726	2.628	20	30		CFEDRM
COc1ccc(NN=Cc2cccn2[C@H](C)C(=O)[O-])cc1	ZINC000833733566	605041765	/nfs/dbraw/zinc/04/17/65/605041765.db2.gz	UMLIGQJKRRELLD-LLVKDONJSA-N	-1	0	287.319	2.588	20	30		CFEDRM
C=CCCOC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823496558	605063389	/nfs/dbraw/zinc/06/33/89/605063389.db2.gz	LMGSNXJIMLVFOE-LLVKDONJSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C\C(=O)c2ccncc2)cc1)C(=O)[O-]	ZINC000794691530	605101070	/nfs/dbraw/zinc/10/10/70/605101070.db2.gz	QBYKFHKWVJHCKR-KMSCOEIWSA-N	-1	0	297.310	2.830	20	30		CFEDRM
CC#CCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000833381045	605102734	/nfs/dbraw/zinc/10/27/34/605102734.db2.gz	ZDLDJLYSNKVSMX-UHFFFAOYSA-N	-1	0	269.300	2.738	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000063096820	605128664	/nfs/dbraw/zinc/12/86/64/605128664.db2.gz	ALEIYTPKNJFBEB-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C[C@@H]1CSC(SCc2cccc(C(=O)[O-])c2C#N)=N1	ZINC000833632297	605149856	/nfs/dbraw/zinc/14/98/56/605149856.db2.gz	KKMSXOSHASKOMO-MRVPVSSYSA-N	-1	0	292.385	2.981	20	30		CFEDRM
CC(C)(C)C[C@H](Sc1ccc(C#N)cn1)C(=O)[O-]	ZINC000833430151	605152841	/nfs/dbraw/zinc/15/28/41/605152841.db2.gz	ULITWHDDUAYKNB-JTQLQIEISA-N	-1	0	264.350	2.935	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cnccn1	ZINC000833386435	605158690	/nfs/dbraw/zinc/15/86/90/605158690.db2.gz	DAYVVFKAEGAFCK-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
C[C@@H](CC#N)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833516478	605213181	/nfs/dbraw/zinc/21/31/81/605213181.db2.gz	XTOZENQMICDKRH-NSHDSACASA-N	-1	0	299.330	2.774	20	30		CFEDRM
C#CCOc1ccccc1OCc1cc(C(=O)[O-])c(C)o1	ZINC000833366808	605239631	/nfs/dbraw/zinc/23/96/31/605239631.db2.gz	IYNNNKYKCOQMLV-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000059932051	605256508	/nfs/dbraw/zinc/25/65/08/605256508.db2.gz	QYXYMAAUWVNUBI-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)nc1	ZINC000833368089	605274660	/nfs/dbraw/zinc/27/46/60/605274660.db2.gz	GBEFTQXGYSYINY-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000135307518	605396765	/nfs/dbraw/zinc/39/67/65/605396765.db2.gz	RFZFVIMMVPHPSM-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccccc2C(=O)[O-])C1	ZINC000833551236	605417463	/nfs/dbraw/zinc/41/74/63/605417463.db2.gz	KDBYYJKDIWVDGO-HNNXBMFYSA-N	-1	0	258.321	2.510	20	30		CFEDRM
O=C([O-])NCCCN=Nc1nc(-c2ccccc2)cs1	ZINC000832605445	605464734	/nfs/dbraw/zinc/46/47/34/605464734.db2.gz	XCMJEVQGXLAGSI-UHFFFAOYSA-N	-1	0	290.348	2.866	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNCC(F)F	ZINC000824759416	605478078	/nfs/dbraw/zinc/47/80/78/605478078.db2.gz	LOAAULKYXIQQGQ-SNVBAGLBSA-N	-1	0	277.315	2.530	20	30		CFEDRM
C[C@@H]1CCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833610494	605489377	/nfs/dbraw/zinc/48/93/77/605489377.db2.gz	WMDNCEWJFPQVNS-HONMWMINSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000833361834	605598554	/nfs/dbraw/zinc/59/85/54/605598554.db2.gz	OAAYQNQOTQHPJW-UHFFFAOYSA-N	-1	0	289.331	2.672	20	30		CFEDRM
CC1(C#N)CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1	ZINC000833551904	605604580	/nfs/dbraw/zinc/60/45/80/605604580.db2.gz	VDALAGXXRUUPEV-UHFFFAOYSA-N	-1	0	285.756	2.625	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000833361954	605623807	/nfs/dbraw/zinc/62/38/07/605623807.db2.gz	SZLRBQCSBCAUDF-HNNXBMFYSA-N	-1	0	279.380	2.720	20	30		CFEDRM
N#Cc1cc2ccccc2nc1N[C@H]1CCCN(C(=O)[O-])C1	ZINC000831118058	605625449	/nfs/dbraw/zinc/62/54/49/605625449.db2.gz	KZBKDCBBNZVXEX-ZDUSSCGKSA-N	-1	0	296.330	2.661	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)NC(=O)[O-])c1ccccc1	ZINC000823497139	605712756	/nfs/dbraw/zinc/71/27/56/605712756.db2.gz	WPBMSLCLOOECNY-UONOGXRCSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NOCC(F)(F)F	ZINC000834107097	605725240	/nfs/dbraw/zinc/72/52/40/605725240.db2.gz	WBBRSUUUGDVBRC-WCBMZHEXSA-N	-1	0	294.273	2.864	20	30		CFEDRM
N#Cc1ccc(NCC2CN(C(=O)[O-])C2)cc1C(F)(F)F	ZINC000833975178	605730271	/nfs/dbraw/zinc/73/02/71/605730271.db2.gz	LIQJWDGVFIBNFS-UHFFFAOYSA-N	-1	0	299.252	2.599	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C	ZINC000826820934	605755021	/nfs/dbraw/zinc/75/50/21/605755021.db2.gz	QFKHTFDPZRZAIO-OLZOCXBDSA-N	-1	0	284.400	2.994	20	30		CFEDRM
N#Cc1ccc(OC(=O)Cc2cccc(NC(=O)[O-])c2)cc1	ZINC000833975894	605809257	/nfs/dbraw/zinc/80/92/57/605809257.db2.gz	GLCHGARYTOXXHH-UHFFFAOYSA-N	-1	0	296.282	2.796	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833373959	605813083	/nfs/dbraw/zinc/81/30/83/605813083.db2.gz	LLIWAQHRBSKDJM-JTQLQIEISA-N	-1	0	296.294	2.548	20	30		CFEDRM
C=CCCOCC(=O)OCc1cc(C(=O)[O-])ccc1Cl	ZINC000833374821	605813186	/nfs/dbraw/zinc/81/31/86/605813186.db2.gz	HFDXKFFZAJTBGW-UHFFFAOYSA-N	-1	0	298.722	2.674	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1=NNCc1cccc2cccnc21	ZINC000834167561	605858524	/nfs/dbraw/zinc/85/85/24/605858524.db2.gz	CBVFHSKDYZRJFO-CYBMUJFWSA-N	-1	0	298.346	2.501	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1nccc2sccc21	ZINC000834169412	605858632	/nfs/dbraw/zinc/85/86/32/605858632.db2.gz	MACWCVLTXFKJQA-SECBINFHSA-N	-1	0	290.348	2.884	20	30		CFEDRM
CCN(CC#N)C(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000833856623	605959368	/nfs/dbraw/zinc/95/93/68/605959368.db2.gz	OOYHVUYSVPIUEM-UHFFFAOYSA-N	-1	0	297.314	2.915	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ccnc3ccccc23)CC1	ZINC000834097074	605992546	/nfs/dbraw/zinc/99/25/46/605992546.db2.gz	ONQQKYDMKYDQHF-UHFFFAOYSA-N	-1	0	298.346	2.589	20	30		CFEDRM
O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1[O-]	ZINC000822923849	606857708	/nfs/dbraw/zinc/85/77/08/606857708.db2.gz	WBICYLWWFYGKDW-AATRIKPKSA-N	-1	0	298.327	2.530	20	30		CFEDRM
N#Cc1cc(NCc2ccc(C(=O)[O-])cc2)nc(C2CC2)n1	ZINC000900935269	620733370	/nfs/dbraw/zinc/73/33/70/620733370.db2.gz	SAIOSZSAAKIADX-UHFFFAOYSA-N	-1	0	294.314	2.536	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1	ZINC000049417420	617604015	/nfs/dbraw/zinc/60/40/15/617604015.db2.gz	NNUKMPFBYYTMGP-UHFFFAOYSA-N	-1	0	281.377	2.803	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cccc(C(=O)[O-])c1	ZINC000811669548	617698917	/nfs/dbraw/zinc/69/89/17/617698917.db2.gz	QOPLUMHSERIERW-NNKWFWPSSA-N	-1	0	253.685	2.878	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ncc(Br)cc1[O-]	ZINC000891696187	617715236	/nfs/dbraw/zinc/71/52/36/617715236.db2.gz	KXUQCMVUABDREN-UHFFFAOYSA-N	-1	0	298.184	2.674	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccccc2)c1	ZINC000255067152	617940539	/nfs/dbraw/zinc/94/05/39/617940539.db2.gz	JELXQUQQOWROSL-WJDWOHSUSA-N	-1	0	270.288	2.962	20	30		CFEDRM
COC[C@H](C)NN=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901209870	620765422	/nfs/dbraw/zinc/76/54/22/620765422.db2.gz	AVMOXUBXNTZOKA-VIFPVBQESA-N	-1	0	292.360	2.558	20	30		CFEDRM
Cc1ccc(C=NNCCC(F)(F)F)cc1C(=O)[O-]	ZINC000901236094	620769097	/nfs/dbraw/zinc/76/90/97/620769097.db2.gz	NLUIFXMDOMTTPJ-UHFFFAOYSA-N	-1	0	274.242	2.569	20	30		CFEDRM
O=C([O-])c1cc(C=NN[C@H]2CCSC2)sc1Cl	ZINC000901238552	620770106	/nfs/dbraw/zinc/77/01/06/620770106.db2.gz	DSINFOZIGUMEIU-LURJTMIESA-N	-1	0	290.797	2.529	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000255162447	618023757	/nfs/dbraw/zinc/02/37/57/618023757.db2.gz	QQKOXIQRDFCMLK-ALCCZGGFSA-N	-1	0	256.305	2.813	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000044767470	618030878	/nfs/dbraw/zinc/03/08/78/618030878.db2.gz	MNRHAMJNIKFKGN-UHFFFAOYSA-N	-1	0	274.320	2.962	20	30		CFEDRM
CC[C@H](NN=Cc1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000901246105	620770811	/nfs/dbraw/zinc/77/08/11/620770811.db2.gz	LCYFMODIVGFCKD-NSHDSACASA-N	-1	0	266.341	2.672	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(Cl)c(Cl)c1	ZINC000846545636	618111122	/nfs/dbraw/zinc/11/11/22/618111122.db2.gz	YBMIRIATMUSXEV-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1	ZINC000255558895	618118487	/nfs/dbraw/zinc/11/84/87/618118487.db2.gz	XVOYKZMNOFCMIP-DAXSKMNVSA-N	-1	0	285.255	2.902	20	30		CFEDRM
Cn1cc(CCC/N=C\c2cc(Cl)ccc2O)cn1	ZINC000255564024	618123565	/nfs/dbraw/zinc/12/35/65/618123565.db2.gz	YPOWPFGPCPFDCZ-SXGWCWSVSA-N	-1	0	277.755	2.831	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccco1	ZINC000255252291	618149241	/nfs/dbraw/zinc/14/92/41/618149241.db2.gz	MINZZQYCUWGRES-UTCJRWHESA-N	-1	0	259.217	2.790	20	30		CFEDRM
Cc1nn(C)c2ncc(/C=C\C(=O)c3ccccc3[O-])cc12	ZINC000255330270	618203332	/nfs/dbraw/zinc/20/33/32/618203332.db2.gz	RIBPCQDMAFBPJF-FPLPWBNLSA-N	-1	0	293.326	2.878	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(F)c2)c1	ZINC000176827183	618207476	/nfs/dbraw/zinc/20/74/76/618207476.db2.gz	YLUUMFGDQORTEN-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176830984	618208133	/nfs/dbraw/zinc/20/81/33/618208133.db2.gz	NZSWHUNGSIVDNX-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)CC1	ZINC000892411177	618231965	/nfs/dbraw/zinc/23/19/65/618231965.db2.gz	IZJJVRBQZPMOOK-UHFFFAOYSA-N	-1	0	299.417	2.608	20	30		CFEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000049178063	618252377	/nfs/dbraw/zinc/25/23/77/618252377.db2.gz	XWELYJIRHYENBF-LBPRGKRZSA-N	-1	0	299.392	2.845	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCF	ZINC000892424050	618253102	/nfs/dbraw/zinc/25/31/02/618253102.db2.gz	LMSJBMRZBKNTSX-LLVKDONJSA-N	-1	0	272.279	2.728	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000187229513	618274898	/nfs/dbraw/zinc/27/48/98/618274898.db2.gz	RTQUSSKDZWCSLD-VZUCSPMQSA-N	-1	0	297.266	2.828	20	30		CFEDRM
CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179737660	618343619	/nfs/dbraw/zinc/34/36/19/618343619.db2.gz	CUHBJPDCZGEZBL-UHFFFAOYSA-N	-1	0	282.299	2.915	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@H](C)C2	ZINC000092462865	618343688	/nfs/dbraw/zinc/34/36/88/618343688.db2.gz	ZQORPQGBFBDMIL-JTQLQIEISA-N	-1	0	293.388	2.586	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc2ccccc2c1	ZINC000092462942	618344086	/nfs/dbraw/zinc/34/40/86/618344086.db2.gz	PHAQYFIDBYFLFP-UHFFFAOYSA-N	-1	0	269.300	2.553	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC2CCC(F)(F)CC2)cc1	ZINC000901345340	620797963	/nfs/dbraw/zinc/79/79/63/620797963.db2.gz	RBTYGOXIJZVLTI-UHFFFAOYSA-N	-1	0	282.290	2.886	20	30		CFEDRM
C#Cc1ccc(C(=O)NCCCCCCCC(=O)[O-])cc1	ZINC000909466038	618368900	/nfs/dbraw/zinc/36/89/00/618368900.db2.gz	HIDAGALSARBGMN-UHFFFAOYSA-N	-1	0	287.359	2.823	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc(Cl)nc2)c1	ZINC000255864593	618379092	/nfs/dbraw/zinc/37/90/92/618379092.db2.gz	BVHYLIZZESZIDW-NVNXTCNLSA-N	-1	0	291.694	2.968	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000909484533	618411760	/nfs/dbraw/zinc/41/17/60/618411760.db2.gz	FMIRHVDUCUURIS-TZMCWYRMSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909485475	618412580	/nfs/dbraw/zinc/41/25/80/618412580.db2.gz	ATWQZCLNPXIKEJ-LBPRGKRZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000909493702	618420533	/nfs/dbraw/zinc/42/05/33/618420533.db2.gz	UMGZASACFPPPDF-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909494913	618422164	/nfs/dbraw/zinc/42/21/64/618422164.db2.gz	HRYYHANQOBROBA-NSHDSACASA-N	-1	0	267.369	2.548	20	30		CFEDRM
C#Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1	ZINC000909495496	618424078	/nfs/dbraw/zinc/42/40/78/618424078.db2.gz	RWFMVYGZGLGGLS-HNNXBMFYSA-N	-1	0	299.370	2.631	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)cc1	ZINC000046927389	618458804	/nfs/dbraw/zinc/45/88/04/618458804.db2.gz	WIGMKGRVEVUKDC-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909509835	618492556	/nfs/dbraw/zinc/49/25/56/618492556.db2.gz	ZKMRQKWHDYFJIP-VIFPVBQESA-N	-1	0	296.392	2.929	20	30		CFEDRM
C#Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1	ZINC000909518327	618540633	/nfs/dbraw/zinc/54/06/33/618540633.db2.gz	BWMZZZJUJDXNMW-UHFFFAOYSA-N	-1	0	285.343	2.575	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255885571	618610963	/nfs/dbraw/zinc/61/09/63/618610963.db2.gz	CFKNOZPJQSYCQV-POHAHGRESA-N	-1	0	297.266	2.828	20	30		CFEDRM
Cc1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119268998	618800534	/nfs/dbraw/zinc/80/05/34/618800534.db2.gz	MUNSYTZJHGPXNM-SNAWJCMRSA-N	-1	0	276.723	2.984	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nnc(C(C)C)o1	ZINC000194806896	618941386	/nfs/dbraw/zinc/94/13/86/618941386.db2.gz	WTOJCGICORUIAI-UHFFFAOYSA-N	-1	0	289.401	2.905	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2C)c1	ZINC000048505734	619346341	/nfs/dbraw/zinc/34/63/41/619346341.db2.gz	WPDWLFCOMNDVDY-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518307	619348418	/nfs/dbraw/zinc/34/84/18/619348418.db2.gz	YTUPKJBLTLVCQR-CMDGGOBGSA-N	-1	0	253.323	2.600	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1	ZINC000048518597	619348622	/nfs/dbraw/zinc/34/86/22/619348622.db2.gz	DZWGGTVUAAEFQO-UHFFFAOYSA-N	-1	0	294.376	2.577	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519383	619349867	/nfs/dbraw/zinc/34/98/67/619349867.db2.gz	WKJGACXROMNOAE-GFCCVEGCSA-N	-1	0	279.361	2.829	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1	ZINC000048519733	619350160	/nfs/dbraw/zinc/35/01/60/619350160.db2.gz	CQVRAHPYTZCHGO-UHFFFAOYSA-N	-1	0	293.266	2.761	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000793080196	619507708	/nfs/dbraw/zinc/50/77/08/619507708.db2.gz	WKDXDMKZISRLCY-SNVBAGLBSA-N	-1	0	292.232	2.631	20	30		CFEDRM
CC[C@H](NN=Cc1cc(C)n(CC(C)C)c1C)C(=O)[O-]	ZINC000793078430	619508118	/nfs/dbraw/zinc/50/81/18/619508118.db2.gz	LYFZYQOPFQQBEA-AWEZNQCLSA-N	-1	0	279.384	2.548	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000049135242	619535529	/nfs/dbraw/zinc/53/55/29/619535529.db2.gz	UKDYKODJDRPSBG-SNVBAGLBSA-N	-1	0	292.360	2.640	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1	ZINC000896507225	619753254	/nfs/dbraw/zinc/75/32/54/619753254.db2.gz	ZUNXQAVWQLSURK-JTQLQIEISA-N	-1	0	250.729	2.781	20	30		CFEDRM
Cc1ncc(CO)c(/C=N\C[C@@H]2CCCCC2(F)F)c1O	ZINC000840707405	619865759	/nfs/dbraw/zinc/86/57/59/619865759.db2.gz	OYQGRYJEECIXAD-QTPLJXKRSA-N	-1	0	298.333	2.832	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCC[C@@H]3C[C@@H]32)c1	ZINC000840710295	619904459	/nfs/dbraw/zinc/90/44/59/619904459.db2.gz	IRJLBRSGPJFSPO-WTABDLGRSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909606238	619995228	/nfs/dbraw/zinc/99/52/28/619995228.db2.gz	VRSGPUCCYUFBOT-QGZVFWFLSA-N	-1	0	289.375	2.747	20	30		CFEDRM
Cc1[nH]c(C=NNc2cccc(F)c2)cc1C(=O)[O-]	ZINC000800811234	620196009	/nfs/dbraw/zinc/19/60/09/620196009.db2.gz	MXZZRAWEYZMZAD-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[nH]2)C1	ZINC000898096101	620337829	/nfs/dbraw/zinc/33/78/29/620337829.db2.gz	OHKWUBNNHUFRTK-UHFFFAOYSA-N	-1	0	291.351	2.660	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1	ZINC000898281465	620364407	/nfs/dbraw/zinc/36/44/07/620364407.db2.gz	WYRRHNLWSGKSOD-OAHLLOKOSA-N	-1	0	274.364	2.979	20	30		CFEDRM
COC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000899227954	620533069	/nfs/dbraw/zinc/53/30/69/620533069.db2.gz	VOLNCEPJGZJWEJ-IWTIEGKHSA-N	-1	0	280.324	2.638	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2cccc(C(F)(F)F)n2)[n-]1	ZINC000899352203	620547743	/nfs/dbraw/zinc/54/77/43/620547743.db2.gz	BHYRLOIOJKOTBR-UHFFFAOYSA-N	-1	0	281.237	2.607	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2nc(C(F)(F)F)cs2)c1=O	ZINC000899352774	620548218	/nfs/dbraw/zinc/54/82/18/620548218.db2.gz	OWGSEGPAMLSXFW-SSDOTTSWSA-N	-1	0	287.266	2.524	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(C(=O)[O-])c(C)o1	ZINC000899349554	620550003	/nfs/dbraw/zinc/55/00/03/620550003.db2.gz	GBJDVTZRTCOONZ-WAYWQWQTSA-N	-1	0	288.303	2.533	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccc(O)cc2[O-])c(C2CC2)n1	ZINC000899361694	620552747	/nfs/dbraw/zinc/55/27/47/620552747.db2.gz	BFQMANYBYSBSKI-QPJJXVBHSA-N	-1	0	284.315	2.605	20	30		CFEDRM
Cc1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1CCC#N	ZINC000899362440	620553744	/nfs/dbraw/zinc/55/37/44/620553744.db2.gz	UAEDLJLOHIYDFA-SECBINFHSA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1c(C(=O)/C=C\c2ccc(C(=O)[O-])nc2)cnn1C(C)C	ZINC000899368660	620555264	/nfs/dbraw/zinc/55/52/64/620555264.db2.gz	KXGIWZRPPXZCEC-ALCCZGGFSA-N	-1	0	299.330	2.762	20	30		CFEDRM
Cc1ccc(/C=C/C(=O)c2cn(C(C)C)nn2)cc1C(=O)[O-]	ZINC000899384949	620557169	/nfs/dbraw/zinc/55/71/69/620557169.db2.gz	QKGSQNJIBQXYFB-VOTSOKGWSA-N	-1	0	299.330	2.762	20	30		CFEDRM
CCCn1cc(C(=O)/C=C/c2ccc(C)c(C(=O)[O-])c2)nn1	ZINC000899392608	620561770	/nfs/dbraw/zinc/56/17/70/620561770.db2.gz	SYJRPBSMEPDUIT-VOTSOKGWSA-N	-1	0	299.330	2.591	20	30		CFEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000042232477	620572746	/nfs/dbraw/zinc/57/27/46/620572746.db2.gz	ANJWMKYPDQLFRA-UHFFFAOYSA-N	-1	0	289.356	2.883	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899803041	620600725	/nfs/dbraw/zinc/60/07/25/620600725.db2.gz	LDIMIZXWWLWYHK-JTQLQIEISA-N	-1	0	295.301	2.700	20	30		CFEDRM
CC(C)(C)c1ccc(C=CC(=O)[N-]S(C)(=O)=O)cc1	ZINC000042280088	620604289	/nfs/dbraw/zinc/60/42/89/620604289.db2.gz	VFBIMVOOEDMSIA-JXMROGBWSA-N	-1	0	281.377	2.913	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000042307999	620629632	/nfs/dbraw/zinc/62/96/32/620629632.db2.gz	QOXGUQKQPXLGMO-UHFFFAOYSA-N	-1	0	294.376	2.781	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000902042264	620962432	/nfs/dbraw/zinc/96/24/32/620962432.db2.gz	HQKWNDKUWPZINR-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000902137222	620980106	/nfs/dbraw/zinc/98/01/06/620980106.db2.gz	YVUYYXJYMPUFPT-OAHLLOKOSA-N	-1	0	265.353	2.516	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000902854538	621195014	/nfs/dbraw/zinc/19/50/14/621195014.db2.gz	GYASYLGBYQFFRB-CYBMUJFWSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=CCN(C)Cc1occ(C(F)(F)F)c1C(=O)[O-]	ZINC000903887251	621459515	/nfs/dbraw/zinc/45/95/15/621459515.db2.gz	OFJVFCOTNCXRNA-UHFFFAOYSA-N	-1	0	263.215	2.614	20	30		CFEDRM
N#CCc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1	ZINC000904231831	621553505	/nfs/dbraw/zinc/55/35/05/621553505.db2.gz	NIDBLDFMQUFOQZ-ZIAGYGMSSA-N	-1	0	285.347	2.743	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904245857	621555471	/nfs/dbraw/zinc/55/54/71/621555471.db2.gz	FYUBTOMTGCRKGL-KGLIPLIRSA-N	-1	0	285.347	2.857	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-]	ZINC000905015061	621681906	/nfs/dbraw/zinc/68/19/06/621681906.db2.gz	CBNJMFCYDMTLOH-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000905054014	621686733	/nfs/dbraw/zinc/68/67/33/621686733.db2.gz	OGROXZWCQJOOEP-LLVKDONJSA-N	-1	0	282.365	2.988	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000905054015	621686862	/nfs/dbraw/zinc/68/68/62/621686862.db2.gz	OGROXZWCQJOOEP-NSHDSACASA-N	-1	0	282.365	2.988	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccsc1)C(=O)[O-]	ZINC000905053441	621687026	/nfs/dbraw/zinc/68/70/26/621687026.db2.gz	HLNMOMZQJRFDBU-SNVBAGLBSA-N	-1	0	268.338	2.679	20	30		CFEDRM
C=C(Cl)CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000905390676	621754411	/nfs/dbraw/zinc/75/44/11/621754411.db2.gz	JXBDRSWTINTWSP-GFCCVEGCSA-N	-1	0	253.729	2.771	20	30		CFEDRM
C[C@H]1[C@](C)(CN=Nc2ccc(C(=O)[O-])cn2)[C@@]1(F)Cl	ZINC000905457383	621776737	/nfs/dbraw/zinc/77/67/37/621776737.db2.gz	QHIANMVBUVHTFK-CQFDHEJISA-N	-1	0	285.706	2.738	20	30		CFEDRM
C=CCn1ncc2ccc(N[C@H](C)[C@@H]3C[C@H]3C(=O)[O-])cc21	ZINC000905751015	621832830	/nfs/dbraw/zinc/83/28/30/621832830.db2.gz	HIAVFHJDLQXLSU-DDTOSNHZSA-N	-1	0	285.347	2.743	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1	ZINC000907145162	622087791	/nfs/dbraw/zinc/08/77/91/622087791.db2.gz	NRZDEDADJDCFGW-FWXSHLFISA-N	-1	0	295.342	2.922	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OC2CCCC2)CC2CCC1CC2	ZINC000907222236	622100351	/nfs/dbraw/zinc/10/03/51/622100351.db2.gz	YWDNEEIBJWCHBG-KOHJWAIASA-N	-1	0	262.353	2.697	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000907547297	622135720	/nfs/dbraw/zinc/13/57/20/622135720.db2.gz	QFBUCRCCPCABQX-LBPRGKRZSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000907576146	622137531	/nfs/dbraw/zinc/13/75/31/622137531.db2.gz	ZTDMGNDFXWCPEM-WFASDCNBSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000907584720	622139782	/nfs/dbraw/zinc/13/97/82/622139782.db2.gz	LPNAHHNMCBGSNF-HUUCEWRRSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CC1(CC(=O)NCC(C)(C)C(=O)[O-])CCCCC1	ZINC000907598961	622141651	/nfs/dbraw/zinc/14/16/51/622141651.db2.gz	RPFKPTBCFNAVSG-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000907625808	622143014	/nfs/dbraw/zinc/14/30/14/622143014.db2.gz	APBMCIHSDFGJBK-QWHCGFSZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000907630531	622144226	/nfs/dbraw/zinc/14/42/26/622144226.db2.gz	ZQMOYZWLXQNPPB-NXEZZACHSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000907614802	622146401	/nfs/dbraw/zinc/14/64/01/622146401.db2.gz	AIXFQWSEBWEQDI-WFASDCNBSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000907669222	622149574	/nfs/dbraw/zinc/14/95/74/622149574.db2.gz	AXMHVOHBSKFVBK-XHDPSFHLSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@H]2CC(=O)[O-])CCCCC1	ZINC000907668274	622149592	/nfs/dbraw/zinc/14/95/92/622149592.db2.gz	SZRKKAOAJCNORY-ZDUSSCGKSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000907678116	622150590	/nfs/dbraw/zinc/15/05/90/622150590.db2.gz	ZIWSGKGPTHTVQH-LBPRGKRZSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000907837245	622166052	/nfs/dbraw/zinc/16/60/52/622166052.db2.gz	IRGXFFNMUGXOJH-SECBINFHSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908083317	622191836	/nfs/dbraw/zinc/19/18/36/622191836.db2.gz	QXWIXLHZPNPDGH-INIZCTEOSA-N	-1	0	275.348	2.879	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1	ZINC000908248372	622208000	/nfs/dbraw/zinc/20/80/00/622208000.db2.gz	FYRFTSOUIATFFL-UHFFFAOYSA-N	-1	0	259.305	2.913	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OC/C=C/Cl)CC2CCC1CC2	ZINC000908314236	622213651	/nfs/dbraw/zinc/21/36/51/622213651.db2.gz	VMBIKHKYJOQIIG-UVXYEJIFSA-N	-1	0	268.744	2.507	20	30		CFEDRM
C=C1CCC(C(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)CC1	ZINC000908334705	622216919	/nfs/dbraw/zinc/21/69/19/622216919.db2.gz	CZYDZYPTNBVQIW-UHFFFAOYSA-N	-1	0	271.320	2.953	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000908579371	622245042	/nfs/dbraw/zinc/24/50/42/622245042.db2.gz	NSFCTOKAWWKWOI-OAHLLOKOSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000908579251	622248239	/nfs/dbraw/zinc/24/82/39/622248239.db2.gz	FCEAFSWDNOJUAU-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1cccc([C@H](C)CC)c1)C(=O)[O-]	ZINC000908626902	622250063	/nfs/dbraw/zinc/25/00/63/622250063.db2.gz	FBRSOYZKTZXBDR-RISCZKNCSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cc(C)cc(C)n1)C(=O)[O-]	ZINC000908645396	622253599	/nfs/dbraw/zinc/25/35/99/622253599.db2.gz	UQDGKHYQFWPMCE-LBPRGKRZSA-N	-1	0	291.351	2.629	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(CC)cn1)C(=O)[O-]	ZINC000908671113	622258679	/nfs/dbraw/zinc/25/86/79/622258679.db2.gz	LDOSKCBZOWPIQV-GFCCVEGCSA-N	-1	0	291.351	2.575	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000908898597	622285421	/nfs/dbraw/zinc/28/54/21/622285421.db2.gz	LRJOTBAPYVYLBR-UHFFFAOYSA-N	-1	0	289.331	2.914	20	30		CFEDRM
C=C1CCC(C(=O)N(CC(=O)[O-])Cc2ccccc2)CC1	ZINC000908905426	622286026	/nfs/dbraw/zinc/28/60/26/622286026.db2.gz	XGTFCLYOVDDYGB-UHFFFAOYSA-N	-1	0	287.359	2.846	20	30		CFEDRM
C=CCC1(CNC(=O)N([C@@H](C)C(=O)[O-])C2CC2)CCCC1	ZINC000909024635	622302158	/nfs/dbraw/zinc/30/21/58/622302158.db2.gz	HNYSWOIZJYEKEU-LBPRGKRZSA-N	-1	0	294.395	2.770	20	30		CFEDRM
C#CCC1(C(=O)NCCCCCC(=O)[O-])CCCCC1	ZINC000909088527	622308608	/nfs/dbraw/zinc/30/86/08/622308608.db2.gz	HUJOXMOCHWWXGP-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251000	622332251	/nfs/dbraw/zinc/33/22/51/622332251.db2.gz	TYVRAUUUTWAEAG-WMLDXEAASA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909254003	622332659	/nfs/dbraw/zinc/33/26/59/622332659.db2.gz	XMHDAWPWHQNAQF-CQSZACIVSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909705643	622343165	/nfs/dbraw/zinc/34/31/65/622343165.db2.gz	XWKOBIDHVUVKOY-CJNGLKHVSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](SC)c1ccccc1)C(=O)[O-]	ZINC000909713465	622344534	/nfs/dbraw/zinc/34/45/34/622344534.db2.gz	QVRQKRHJBZHXFI-CHWSQXEVSA-N	-1	0	293.388	2.626	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000909717281	622346017	/nfs/dbraw/zinc/34/60/17/622346017.db2.gz	XQRDOWQGTTXPMB-OCCSQVGLSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000909786009	622352478	/nfs/dbraw/zinc/35/24/78/622352478.db2.gz	HGWRDNWMSSIPCL-UHFFFAOYSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000909809313	622354790	/nfs/dbraw/zinc/35/47/90/622354790.db2.gz	SIEYDCYWAQAMII-CFVMTHIKSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CC(C)(C)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1	ZINC000909834628	622359443	/nfs/dbraw/zinc/35/94/43/622359443.db2.gz	CQRYKZAUAWNXCL-KBPBESRZSA-N	-1	0	287.359	2.525	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000909841873	622360129	/nfs/dbraw/zinc/36/01/29/622360129.db2.gz	UMRRKDKRFOKDBP-LLVKDONJSA-N	-1	0	259.305	2.617	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909867508	622361739	/nfs/dbraw/zinc/36/17/39/622361739.db2.gz	BHNGFTJPVBBTFI-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000909874607	622363448	/nfs/dbraw/zinc/36/34/48/622363448.db2.gz	HBXCSQPBZLZZAB-WFASDCNBSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000909956316	622376466	/nfs/dbraw/zinc/37/64/66/622376466.db2.gz	VCDCHDBYQNSTBT-IAQYHMDHSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CCC1(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000909970837	622377863	/nfs/dbraw/zinc/37/78/63/622377863.db2.gz	XVQOGYTXCUFJLM-CQSZACIVSA-N	-1	0	291.391	2.577	20	30		CFEDRM
C=C1CCC(C(=O)N2CCCCC[C@H]2C(=O)[O-])CC1	ZINC000910041114	622395272	/nfs/dbraw/zinc/39/52/72/622395272.db2.gz	IXDUDZYAFOUISS-ZDUSSCGKSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194071	622411633	/nfs/dbraw/zinc/41/16/33/622411633.db2.gz	VUCARIPBZZGYBP-UHFFFAOYSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)CC1	ZINC000910243930	622417882	/nfs/dbraw/zinc/41/78/82/622417882.db2.gz	GIBCJTATNBSAFV-KKUMJFAQSA-N	-1	0	291.391	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910266574	622421533	/nfs/dbraw/zinc/42/15/33/622421533.db2.gz	NCKVSEWNIYEHHD-LLHIFLOGSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910302778	622428166	/nfs/dbraw/zinc/42/81/66/622428166.db2.gz	REBGTGIDSVVOEP-AWEZNQCLSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1	ZINC000910398442	622438475	/nfs/dbraw/zinc/43/84/75/622438475.db2.gz	SQVYTUPACCGBDW-CJNGLKHVSA-N	-1	0	277.364	2.589	20	30		CFEDRM
C=CCCC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-]	ZINC000910587507	622456416	/nfs/dbraw/zinc/45/64/16/622456416.db2.gz	WKXZVUWBDFFFCU-CYBMUJFWSA-N	-1	0	287.315	2.511	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000910621867	622461278	/nfs/dbraw/zinc/46/12/78/622461278.db2.gz	NFBBDKREKMOWFV-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910907006	622484092	/nfs/dbraw/zinc/48/40/92/622484092.db2.gz	IMAJTJSVAAVWES-CYBMUJFWSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC1(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])CCC1	ZINC000910912294	622485668	/nfs/dbraw/zinc/48/56/68/622485668.db2.gz	QIFPHCMFJXINGX-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cnc(C(C)C)s1)C(=O)[O-]	ZINC000910911248	622485725	/nfs/dbraw/zinc/48/57/25/622485725.db2.gz	DLNJHRRTHUYZNT-JTQLQIEISA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)c(CC)o1)C(=O)[O-]	ZINC000910913107	622485815	/nfs/dbraw/zinc/48/58/15/622485815.db2.gz	SKIYRDULPNATJO-LLVKDONJSA-N	-1	0	279.336	2.690	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000910914315	622486073	/nfs/dbraw/zinc/48/60/73/622486073.db2.gz	IZIGANTZTFVBGY-PWSUYJOCSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](CC)OC1CCCC1)C(=O)[O-]	ZINC000910914663	622486230	/nfs/dbraw/zinc/48/62/30/622486230.db2.gz	MJPLPAGDVVHPBO-KGLIPLIRSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000910914041	622486307	/nfs/dbraw/zinc/48/63/07/622486307.db2.gz	BWKWGRFSGHJFHH-LBPRGKRZSA-N	-1	0	287.315	2.972	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc2[nH]ccc21)C(=O)[O-]	ZINC000910913757	622486365	/nfs/dbraw/zinc/48/63/65/622486365.db2.gz	BTKIORVWFYYYFU-CQSZACIVSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000910913848	622486412	/nfs/dbraw/zinc/48/64/12/622486412.db2.gz	DRXCCDCUEVIHGZ-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000910915145	622486612	/nfs/dbraw/zinc/48/66/12/622486612.db2.gz	VMDBMZLIAIWLRX-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)CC=C)C(=O)[O-]	ZINC000910916581	622486719	/nfs/dbraw/zinc/48/67/19/622486719.db2.gz	ZAOWUHMUKBWGPF-LLVKDONJSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC1=CCCCC1)C(=O)[O-]	ZINC000910915394	622486760	/nfs/dbraw/zinc/48/67/60/622486760.db2.gz	YSKXUWWNPBCBJQ-ZDUSSCGKSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C(C)=C(\C)CC)C(=O)[O-]	ZINC000910916711	622486763	/nfs/dbraw/zinc/48/67/63/622486763.db2.gz	IOVOIRFPIRTJLH-HCRIHEDKSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-]	ZINC000910917313	622486783	/nfs/dbraw/zinc/48/67/83/622486783.db2.gz	PONQTDGPVLUUDI-WCQYABFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C(/C)c1ccco1)C(=O)[O-]	ZINC000910921072	622487122	/nfs/dbraw/zinc/48/71/22/622487122.db2.gz	ACWTZZKHYQBMJC-WEHUKYGOSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C\c1ccsc1)C(=O)[O-]	ZINC000910918779	622487142	/nfs/dbraw/zinc/48/71/42/622487142.db2.gz	PLSNULPQCSNGCJ-DGMVEKRQSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000910918773	622487146	/nfs/dbraw/zinc/48/71/46/622487146.db2.gz	PJQGGPLKPFZHDX-MRVPVSSYSA-N	-1	0	287.768	2.941	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1oc(SC)cc1C)C(=O)[O-]	ZINC000910921140	622487187	/nfs/dbraw/zinc/48/71/87/622487187.db2.gz	BPXOJEZLQNBYEX-SNVBAGLBSA-N	-1	0	297.376	2.849	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/c1cccs1)C(=O)[O-]	ZINC000910918440	622487395	/nfs/dbraw/zinc/48/73/95/622487395.db2.gz	LHVXDOJTYAPCME-BCPZQOPPSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C(=O)[O-]	ZINC000910923600	622488222	/nfs/dbraw/zinc/48/82/22/622488222.db2.gz	UFBHWJLHQKPDCL-STQMWFEESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccoc1C1CC1)C(=O)[O-]	ZINC000910927120	622488745	/nfs/dbraw/zinc/48/87/45/622488745.db2.gz	XEGCBLKVNCFLLN-GFCCVEGCSA-N	-1	0	277.320	2.696	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000910927136	622488863	/nfs/dbraw/zinc/48/88/63/622488863.db2.gz	XHHGJZIFEWJUMF-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910961117	622490453	/nfs/dbraw/zinc/49/04/53/622490453.db2.gz	RVOTWPZBTXYYMZ-UHFFFAOYSA-N	-1	0	291.347	2.869	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC000911386490	622518679	/nfs/dbraw/zinc/51/86/79/622518679.db2.gz	FUXMGXRCTNZMCT-UHFFFAOYSA-N	-1	0	284.315	2.998	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)C(C)(C)CCC(=O)[O-])c1	ZINC000911338512	622518756	/nfs/dbraw/zinc/51/87/56/622518756.db2.gz	AJHNEKFCXKTFFC-UHFFFAOYSA-N	-1	0	273.332	2.522	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)[C@@H](C)CC(=O)[O-]	ZINC000911401103	622519477	/nfs/dbraw/zinc/51/94/77/622519477.db2.gz	FDUNKKFWDAQBTL-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CCOCCCC(=O)N[C@H](C(=O)[O-])C1CCCCCC1	ZINC000911777676	622550752	/nfs/dbraw/zinc/55/07/52/622550752.db2.gz	SMNVMDRHCVRVJU-HNNXBMFYSA-N	-1	0	297.395	2.509	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])C(F)=C2CCC2)nc(C)n1	ZINC000819941358	622578600	/nfs/dbraw/zinc/57/86/00/622578600.db2.gz	LINSZGHELADYIX-LLVKDONJSA-N	-1	0	259.284	2.677	20	30		CFEDRM
C#CCCCCC(=O)Nc1nccc(Br)c1[O-]	ZINC000913025993	622823078	/nfs/dbraw/zinc/82/30/78/622823078.db2.gz	CCHSEXGOABRNJN-UHFFFAOYSA-N	-1	0	297.152	2.682	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c(C)n[nH]c2C)c([O-])c1	ZINC000156614054	622951936	/nfs/dbraw/zinc/95/19/36/622951936.db2.gz	UPRFBVDGFHQDAT-VOTSOKGWSA-N	-1	0	272.304	2.637	20	30		CFEDRM
COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1C#N	ZINC000156628571	622952941	/nfs/dbraw/zinc/95/29/41/622952941.db2.gz	UNKPLVIFXGVCQS-QHHAFSJGSA-N	-1	0	295.294	2.874	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC3(CCCO3)CC2)nc1	ZINC000788024759	623042993	/nfs/dbraw/zinc/04/29/93/623042993.db2.gz	PJQATPBMWUPFIC-UHFFFAOYSA-N	-1	0	289.335	2.671	20	30		CFEDRM
CC[C@@H](CNc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087508982	623169480	/nfs/dbraw/zinc/16/94/80/623169480.db2.gz	JKBDCRHDCOAMOR-QMMMGPOBSA-N	-1	0	252.701	2.734	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000823369053	623299691	/nfs/dbraw/zinc/29/96/91/623299691.db2.gz	QTSLOXDYDFJFLU-DWOQACPDSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCO[N-]C(=O)Cc1csc(C2CCCC2)n1	ZINC000823416780	623313025	/nfs/dbraw/zinc/31/30/25/623313025.db2.gz	XVVSBQHMCHJZNS-UHFFFAOYSA-N	-1	0	266.366	2.577	20	30		CFEDRM
CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC)o2)cc1	ZINC000173991902	623378961	/nfs/dbraw/zinc/37/89/61/623378961.db2.gz	NVYJUTIYAXCYCR-ZDUSSCGKSA-N	-1	0	296.326	2.577	20	30		CFEDRM
C=C(C)CO[N-]C(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2	ZINC000824028435	623435914	/nfs/dbraw/zinc/43/59/14/623435914.db2.gz	IKMUYAGCVQYUDG-LLVKDONJSA-N	-1	0	290.363	2.540	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000824232402	623473463	/nfs/dbraw/zinc/47/34/63/623473463.db2.gz	IVTGNWRKMPSUCG-UHFFFAOYSA-N	-1	0	277.217	2.681	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814906083	623482350	/nfs/dbraw/zinc/48/23/50/623482350.db2.gz	FDTKMLCZZYDKMA-JQWIXIFHSA-N	-1	0	254.374	2.889	20	30		CFEDRM
O=C(CC(F)(F)C(F)F)[N-]OCCCC(F)(F)F	ZINC000913727787	623569743	/nfs/dbraw/zinc/56/97/43/623569743.db2.gz	XEMNWTUGODDFLF-UHFFFAOYSA-N	-1	0	285.159	2.667	20	30		CFEDRM
C[C@H]1C(=NNC2CCCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814910029	623647188	/nfs/dbraw/zinc/64/71/88/623647188.db2.gz	PXRYFHNWSCUZBD-GHMZBOCLSA-N	-1	0	252.358	2.786	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)Cc2csc(C3CC3)n2)c1	ZINC000825266985	623661620	/nfs/dbraw/zinc/66/16/20/623661620.db2.gz	GUUAYPJGWOSAJA-UHFFFAOYSA-N	-1	0	299.355	2.545	20	30		CFEDRM
CCSc1ccccc1C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000914532274	623892228	/nfs/dbraw/zinc/89/22/28/623892228.db2.gz	CUPVSXAQCKAGKT-UHFFFAOYSA-N	-1	0	297.343	2.517	20	30		CFEDRM
Cc1nc(C=NNc2ccccc2C(=O)[O-])c2ccccn12	ZINC000914600541	623906642	/nfs/dbraw/zinc/90/66/42/623906642.db2.gz	VWSFJAVSHKZVMF-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
CO[C@@](C)(CN=Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000835008789	623931392	/nfs/dbraw/zinc/93/13/92/623931392.db2.gz	JAFIMYXGAUGHOW-AWEZNQCLSA-N	-1	0	280.299	2.737	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835008786	623931949	/nfs/dbraw/zinc/93/19/49/623931949.db2.gz	IYVNLFQRGPZOPV-ZANVPECISA-N	-1	0	282.315	2.983	20	30		CFEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC000827861993	624113697	/nfs/dbraw/zinc/11/36/97/624113697.db2.gz	REAYCOKACGWLDM-SNVBAGLBSA-N	-1	0	296.282	2.569	20	30		CFEDRM
CC(C)c1c(Cl)ncnc1N=NC1CC(C(=O)[O-])C1	ZINC000814922165	624136844	/nfs/dbraw/zinc/13/68/44/624136844.db2.gz	XEPGFTZSLKBVOQ-UHFFFAOYSA-N	-1	0	282.731	2.516	20	30		CFEDRM
COc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000916255130	624231156	/nfs/dbraw/zinc/23/11/56/624231156.db2.gz	CRHVXQOJPQQQQF-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
O=C([O-])COc1ccc(C=NNc2ccc(F)cc2)cc1	ZINC000916268075	624233460	/nfs/dbraw/zinc/23/34/60/624233460.db2.gz	IKFZHDJIZLUYPD-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
Cc1cc(C)cc(NN=Cc2c(O)c(C)ncc2CO)c1	ZINC000916346460	624240304	/nfs/dbraw/zinc/24/03/04/624240304.db2.gz	CPUIDJLHBCKTRG-UHFFFAOYSA-N	-1	0	285.347	2.651	20	30		CFEDRM
O=C([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)C(F)(F)C(F)F	ZINC000828537793	624264957	/nfs/dbraw/zinc/26/49/57/624264957.db2.gz	ZUWMSWWCLOOPAG-PHDIDXHHSA-N	-1	0	293.182	2.900	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)[nH]c1C	ZINC000916875032	624290413	/nfs/dbraw/zinc/29/04/13/624290413.db2.gz	PPAJDPOQUIENJK-CQSZACIVSA-N	-1	0	289.379	2.651	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1	ZINC000916919556	624291954	/nfs/dbraw/zinc/29/19/54/624291954.db2.gz	YWFUNBXXJQTFSM-AWEZNQCLSA-N	-1	0	284.359	2.609	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000916917410	624292016	/nfs/dbraw/zinc/29/20/16/624292016.db2.gz	CZLNZSVIECZGSB-SECBINFHSA-N	-1	0	297.141	2.618	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000916926534	624292039	/nfs/dbraw/zinc/29/20/39/624292039.db2.gz	IHZJNAYNXJCROY-HNNXBMFYSA-N	-1	0	284.359	2.630	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CC(C)C)cc1	ZINC000916920501	624292051	/nfs/dbraw/zinc/29/20/51/624292051.db2.gz	LGIUTMMIQPHNRP-HNNXBMFYSA-N	-1	0	284.359	2.510	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc3c(c2)CCO3)c1	ZINC000917530948	624355830	/nfs/dbraw/zinc/35/58/30/624355830.db2.gz	KHFFDQQTDQAGJM-UHFFFAOYSA-N	-1	0	282.299	2.766	20	30		CFEDRM
COc1cc(C)ccc1C(C)=NNc1[n-]cnc2ncnc1-2	ZINC000917556095	624359417	/nfs/dbraw/zinc/35/94/17/624359417.db2.gz	SYJXTAVXXNRQLU-UHFFFAOYSA-N	-1	0	296.334	2.506	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(C)c(C)c1	ZINC000917556297	624359565	/nfs/dbraw/zinc/35/95/65/624359565.db2.gz	ZUBDMQPVFAMIEC-UHFFFAOYSA-N	-1	0	280.335	2.806	20	30		CFEDRM
O=C(/C=C\c1ccc2c(c1)OCCO2)c1ccc(O)cc1[O-]	ZINC000033527278	624432645	/nfs/dbraw/zinc/43/26/45/624432645.db2.gz	MZVRJKHSDWQUAT-KTAJNNJTSA-N	-1	0	298.294	2.765	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000829546821	624454097	/nfs/dbraw/zinc/45/40/97/624454097.db2.gz	SMZJUMCVVZIYJB-NSHDSACASA-N	-1	0	282.388	2.513	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328077	624710345	/nfs/dbraw/zinc/71/03/45/624710345.db2.gz	KVBXYTQIMKFLDR-CQSZACIVSA-N	-1	0	278.283	2.612	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCc2ccco2)c1	ZINC000920944796	624786536	/nfs/dbraw/zinc/78/65/36/624786536.db2.gz	KQRATSAVDJINLZ-ZROIWOOFSA-N	-1	0	260.249	2.555	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000831042943	624955206	/nfs/dbraw/zinc/95/52/06/624955206.db2.gz	XYADQYRIJHDQQF-UONOGXRCSA-N	-1	0	296.411	2.875	20	30		CFEDRM
O=C(/C=C/c1cccc2nccn21)c1ccc(O)cc1[O-]	ZINC000180315458	625012872	/nfs/dbraw/zinc/01/28/72/625012872.db2.gz	LAQGDRDHNBFIDO-QPJJXVBHSA-N	-1	0	280.283	2.642	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000069532587	625144350	/nfs/dbraw/zinc/14/43/50/625144350.db2.gz	SVCFAQSQOYJISU-UHFFFAOYSA-N	-1	0	287.406	2.702	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)CC	ZINC000181871374	625225102	/nfs/dbraw/zinc/22/51/02/625225102.db2.gz	ZZBBQTONEFFMKP-GFCCVEGCSA-N	-1	0	277.430	2.982	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2CCCCO2)c1	ZINC000182203751	625269700	/nfs/dbraw/zinc/26/97/00/625269700.db2.gz	MRYVMEQOHXSSHQ-LERPTODRSA-N	-1	0	278.308	2.679	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C12CCC2	ZINC000834915397	625921440	/nfs/dbraw/zinc/92/14/40/625921440.db2.gz	IMTBTDBZASPYFX-CYBMUJFWSA-N	-1	0	274.320	2.742	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C[C@H]1C)C(C)(C)C	ZINC000814938211	625929288	/nfs/dbraw/zinc/92/92/88/625929288.db2.gz	XTZIQJVSOFYOMJ-VWYCJHECSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966277	625936141	/nfs/dbraw/zinc/93/61/41/625936141.db2.gz	FUCJFVUFLIKGSS-YGRLFVJLSA-N	-1	0	294.351	2.852	20	30		CFEDRM
CC[C@@H](NN=C(C)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000834981054	625944766	/nfs/dbraw/zinc/94/47/66/625944766.db2.gz	IAZQWNIWXBCNAD-GFCCVEGCSA-N	-1	0	274.320	2.918	20	30		CFEDRM
O=c1[n-][nH]c(=O)n1N=CC1CCC2(CCCCC2)CC1	ZINC000834982481	625945170	/nfs/dbraw/zinc/94/51/70/625945170.db2.gz	YNJBKPOPCLYRGD-UHFFFAOYSA-N	-1	0	278.356	2.664	20	30		CFEDRM
C[C@@H](NN=Cc1cc(F)c([O-])c(F)c1)C(F)(F)F	ZINC000835002093	625951195	/nfs/dbraw/zinc/95/11/95/625951195.db2.gz	QVURIYZZLAQJIL-RXMQYKEDSA-N	-1	0	268.185	2.545	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1ccccc1F	ZINC000835010664	625957186	/nfs/dbraw/zinc/95/71/86/625957186.db2.gz	GZLWHVOUULIUEX-GHMZBOCLSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccccc1F	ZINC000835011990	625958206	/nfs/dbraw/zinc/95/82/06/625958206.db2.gz	VDTAPQDQCCLXHT-UHFFFAOYSA-N	-1	0	278.327	2.936	20	30		CFEDRM
COC1(CN=Nc2ccc(C(=O)[O-])cc2F)CCCC1	ZINC000835012354	625958656	/nfs/dbraw/zinc/95/86/56/625958656.db2.gz	PJLSJNBITWTWGH-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C=CCON=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000835015505	625961332	/nfs/dbraw/zinc/96/13/32/625961332.db2.gz	QZVLQDLWIUZLSH-UHFFFAOYSA-N	-1	0	277.320	2.857	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125410	626065928	/nfs/dbraw/zinc/06/59/28/626065928.db2.gz	ZPBYMBDHLWPPDI-UHFFFAOYSA-N	-1	0	297.376	2.847	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000073837995	626396103	/nfs/dbraw/zinc/39/61/03/626396103.db2.gz	LOFKZOFZJDFFBO-UHFFFAOYSA-N	-1	0	273.354	2.687	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000923043626	626446114	/nfs/dbraw/zinc/44/61/14/626446114.db2.gz	KVLGNYOJUWVKQJ-UHFFFAOYSA-N	-1	0	286.331	2.604	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000923064840	626448665	/nfs/dbraw/zinc/44/86/65/626448665.db2.gz	SKKNQXCBAUBBIZ-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
C[C@@H](Cc1ccc(NC(=O)C2(C#N)CCC2)cc1)C(=O)[O-]	ZINC000923075584	626449026	/nfs/dbraw/zinc/44/90/26/626449026.db2.gz	KMAUOFMEHCMVSI-NSHDSACASA-N	-1	0	286.331	2.582	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000923075100	626449073	/nfs/dbraw/zinc/44/90/73/626449073.db2.gz	HWTWEQJSYMUICO-ZBEGNZNMSA-N	-1	0	288.347	2.828	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000923076614	626449294	/nfs/dbraw/zinc/44/92/94/626449294.db2.gz	UAKVKGMFNXPZLU-HNNXBMFYSA-N	-1	0	274.320	2.880	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000923080783	626449499	/nfs/dbraw/zinc/44/94/99/626449499.db2.gz	NCJPIUGTCQUUKE-BONVTDFDSA-N	-1	0	274.320	2.753	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000923079862	626449963	/nfs/dbraw/zinc/44/99/63/626449963.db2.gz	HFNMPIYWYQHGCG-UHFFFAOYSA-N	-1	0	292.310	2.721	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CC=CCC1)C(=O)[O-]	ZINC000923103752	626450659	/nfs/dbraw/zinc/45/06/59/626450659.db2.gz	HWAVVSODQAPCES-STQMWFEESA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096444	626451032	/nfs/dbraw/zinc/45/10/32/626451032.db2.gz	ZPGKTKDTCXHQAA-AWEZNQCLSA-N	-1	0	297.376	2.922	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000923106098	626451622	/nfs/dbraw/zinc/45/16/22/626451622.db2.gz	XWWNDXAFFUOHLU-WOSRLPQWSA-N	-1	0	286.331	2.753	20	30		CFEDRM
N#CC(=C([O-])C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1	ZINC000842942135	626523019	/nfs/dbraw/zinc/52/30/19/626523019.db2.gz	GJFDHDYPJIVIIB-CYLBZQBVSA-N	-1	0	288.372	2.932	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Cl	ZINC000103329601	626531224	/nfs/dbraw/zinc/53/12/24/626531224.db2.gz	ZQYWDPGUTQPALY-GFCCVEGCSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CC[C@@](C)([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000839290823	626532990	/nfs/dbraw/zinc/53/29/90/626532990.db2.gz	BIJXSEQBNDMVFK-UJURSFKZSA-N	-1	0	269.160	2.734	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F	ZINC000805057710	626541752	/nfs/dbraw/zinc/54/17/52/626541752.db2.gz	VOVIVUJBDQMQJF-JTQLQIEISA-N	-1	0	299.358	2.686	20	30		CFEDRM
COC(=O)c1occc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000757475006	626553168	/nfs/dbraw/zinc/55/31/68/626553168.db2.gz	FKYICELPMSYEJR-XQRVVYSFSA-N	-1	0	286.283	2.976	20	30		CFEDRM
O=C(/C=C\c1ccccc1-n1cncn1)c1ccccc1[O-]	ZINC000757473582	626553276	/nfs/dbraw/zinc/55/32/76/626553276.db2.gz	DCSJRWAIJSQSTJ-KTKRTIGZSA-N	-1	0	291.310	2.869	20	30		CFEDRM
CC(CC1CCOCC1)N=Nc1ccccc1C(=O)[O-]	ZINC000757569602	626555450	/nfs/dbraw/zinc/55/54/50/626555450.db2.gz	RVTJRGOGYIJDLS-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
O=c1[n-]c(N=NCC2CCCC2)nc2ccccc21	ZINC000757582863	626555841	/nfs/dbraw/zinc/55/58/41/626555841.db2.gz	GEEMGAXRXSSDCY-UHFFFAOYSA-N	-1	0	256.309	2.923	20	30		CFEDRM
CC(=NNC1CC1)c1cc(Br)cc(F)c1[O-]	ZINC000758132396	626578353	/nfs/dbraw/zinc/57/83/53/626578353.db2.gz	CLNBMYCYFDLRQG-UHFFFAOYSA-N	-1	0	287.132	2.770	20	30		CFEDRM
Cc1ncccc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091825	626628389	/nfs/dbraw/zinc/62/83/89/626628389.db2.gz	VLKQFKNRDWFWJD-XQRVVYSFSA-N	-1	0	284.271	2.900	20	30		CFEDRM
CCC(N=Nc1nc(C)cc(=O)[n-]1)c1ccc(N(C)C)cc1	ZINC000759179802	626633301	/nfs/dbraw/zinc/63/33/01/626633301.db2.gz	QGUVNSMEHKWVRV-UHFFFAOYSA-N	-1	0	299.378	2.783	20	30		CFEDRM
C[C@H](C[C@@H]1CCOC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759641118	626678966	/nfs/dbraw/zinc/67/89/66/626678966.db2.gz	BUHCDUMAVCDOJU-NLQHLNQPSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CC(C)Oc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccn1	ZINC000760131266	626715714	/nfs/dbraw/zinc/71/57/14/626715714.db2.gz	KIZWKZYYAVROSD-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
Cn1cnc2cc(C=NNc3ccc(C(=O)[O-])cc3)ccc21	ZINC000761252975	626819324	/nfs/dbraw/zinc/81/93/24/626819324.db2.gz	WUEDMSGNOZTOOL-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
C=CCN(C(=O)c1cc(F)c([O-])c(F)c1)C(C)C	ZINC000762599209	626925539	/nfs/dbraw/zinc/92/55/39/626925539.db2.gz	ZZFYZDNOSCKLMH-UHFFFAOYSA-N	-1	0	255.264	2.707	20	30		CFEDRM
CCC1(CC)C(=NNc2cnnc([O-])c2Cl)C[C@@H]1OC	ZINC000762604668	626926045	/nfs/dbraw/zinc/92/60/45/626926045.db2.gz	OXKVKDMNFIHKMR-JTQLQIEISA-N	-1	0	298.774	2.829	20	30		CFEDRM
N#CC1(COC(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000762822963	626941368	/nfs/dbraw/zinc/94/13/68/626941368.db2.gz	KTSUOZXGSYUQQY-UHFFFAOYSA-N	-1	0	251.669	2.506	20	30		CFEDRM
N#CCCCCOC(=O)c1ccc([O-])c(Cl)c1	ZINC000762830033	626942223	/nfs/dbraw/zinc/94/22/23/626942223.db2.gz	MLMHIIANHCVZDS-UHFFFAOYSA-N	-1	0	253.685	2.896	20	30		CFEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000763158155	626967378	/nfs/dbraw/zinc/96/73/78/626967378.db2.gz	YOFWCSPGMRBEFR-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cccc(C(=O)[O-])c1	ZINC000764845346	627101070	/nfs/dbraw/zinc/10/10/70/627101070.db2.gz	UXKWBBZXZZWPRW-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
Cc1nnc(NN=C2C[C@@H](C(C)C)c3ccccc32)[n-]c1=O	ZINC000766431672	627202669	/nfs/dbraw/zinc/20/26/69/627202669.db2.gz	JCIJFAXYODKANM-ZDUSSCGKSA-N	-1	0	297.362	2.845	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnn2C2CCCC2)c1	ZINC000768184076	627323307	/nfs/dbraw/zinc/32/33/07/627323307.db2.gz	BHSIKLVJHSGMJZ-UHFFFAOYSA-N	-1	0	296.330	2.828	20	30		CFEDRM
CCCCCCCCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000769521332	627451311	/nfs/dbraw/zinc/45/13/11/627451311.db2.gz	DUSSXTOEYMYAIE-CQSZACIVSA-N	-1	0	299.411	2.829	20	30		CFEDRM
C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)CC(C)(C)C	ZINC000770866555	627552054	/nfs/dbraw/zinc/55/20/54/627552054.db2.gz	SXUJDBMHALMBBR-VXGBXAGGSA-N	-1	0	289.379	2.774	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cn1	ZINC000772553884	627721330	/nfs/dbraw/zinc/72/13/30/627721330.db2.gz	KIBUUTFVMSDJJF-CQSZACIVSA-N	-1	0	299.374	2.586	20	30		CFEDRM
Cn1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])n1	ZINC000773153168	627789569	/nfs/dbraw/zinc/78/95/69/627789569.db2.gz	IMQFXPKBFAFZOS-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
COC(=O)c1coc(/C=C\C(=O)c2ccc(C)cc2[O-])c1	ZINC000774136757	627892843	/nfs/dbraw/zinc/89/28/43/627892843.db2.gz	SYJXMTSDIMPQND-XQRVVYSFSA-N	-1	0	286.283	2.976	20	30		CFEDRM
CCOCCON=Cc1cc(Cl)cc(F)c1[O-]	ZINC000774414672	627922624	/nfs/dbraw/zinc/92/26/24/627922624.db2.gz	JKEWJWNZZCYVCC-UHFFFAOYSA-N	-1	0	261.680	2.572	20	30		CFEDRM
CCOCCON=C(CC)c1ccc(C(=O)[O-])cc1	ZINC000774430793	627924444	/nfs/dbraw/zinc/92/44/44/627924444.db2.gz	CMRZMIUFCBDBJB-UHFFFAOYSA-N	-1	0	265.309	2.552	20	30		CFEDRM
CCC(CC)CNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000774476652	627931195	/nfs/dbraw/zinc/93/11/95/627931195.db2.gz	VLPGFLHVDPCMNF-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NOC2CCCC2)cc1	ZINC000774607184	627941522	/nfs/dbraw/zinc/94/15/22/627941522.db2.gz	DBAIPFBAAGFKRG-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
O=C(NCC#Cc1ccccc1)c1cccc(Cl)c1[O-]	ZINC000775646188	628049586	/nfs/dbraw/zinc/04/95/86/628049586.db2.gz	UZKLGNWSWCYDBU-UHFFFAOYSA-N	-1	0	285.730	2.827	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cncs1	ZINC000776433815	628150262	/nfs/dbraw/zinc/15/02/62/628150262.db2.gz	KQGAKSAJPORKHX-DUXPYHPUSA-N	-1	0	276.273	2.653	20	30		CFEDRM
CC(=NOCc1cccnc1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776726428	628171402	/nfs/dbraw/zinc/17/14/02/628171402.db2.gz	NQHVRCUXSZEEOI-UHFFFAOYSA-N	-1	0	299.330	2.732	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725989	628171601	/nfs/dbraw/zinc/17/16/01/628171601.db2.gz	IZCTVTWDYHJFPB-UHFFFAOYSA-N	-1	0	290.241	2.700	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]OCC(F)(F)F)c1ccccc1	ZINC000778999624	628343734	/nfs/dbraw/zinc/34/37/34/628343734.db2.gz	NUFRNMWKDNHFHS-NSHDSACASA-N	-1	0	273.254	2.956	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccc2n[nH]cc2c1	ZINC000779820302	628411305	/nfs/dbraw/zinc/41/13/05/628411305.db2.gz	GNPRQPVXYDETNY-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
O=C(/C=C\c1cncnc1)c1cc(Cl)ccc1[O-]	ZINC000781112059	628522930	/nfs/dbraw/zinc/52/29/30/628522930.db2.gz	SZZJGPIRZBEVKY-IWQZZHSRSA-N	-1	0	260.680	2.732	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)(C)C	ZINC000781557178	628559786	/nfs/dbraw/zinc/55/97/86/628559786.db2.gz	VWPXUPLQDHMIQE-SNVBAGLBSA-N	-1	0	264.281	2.518	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2scnc2C2CC2)nc1	ZINC000782268836	628621802	/nfs/dbraw/zinc/62/18/02/628621802.db2.gz	YVUAGTSZKABQOQ-UHFFFAOYSA-N	-1	0	288.332	2.560	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]OC1CCCCC1	ZINC000783717602	628737967	/nfs/dbraw/zinc/73/79/67/628737967.db2.gz	MJLIQYWQGXYQIZ-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
COc1cc(C=NOCC(C)C)ccc1OCCC(=O)[O-]	ZINC000783856669	628750252	/nfs/dbraw/zinc/75/02/52/628750252.db2.gz	IKPNPFPXZWCVJB-UHFFFAOYSA-N	-1	0	295.335	2.555	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784828797	628844312	/nfs/dbraw/zinc/84/43/12/628844312.db2.gz	KPHVUGQHFOAPKC-ZDUSSCGKSA-N	-1	0	294.310	2.548	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(O)ccc2Cl)c1	ZINC000788305623	629057515	/nfs/dbraw/zinc/05/75/15/629057515.db2.gz	NQGNFXVLKHMPEK-UHFFFAOYSA-N	-1	0	288.690	2.875	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOCc2cccnc2)c2ccccc21	ZINC000789034822	629119384	/nfs/dbraw/zinc/11/93/84/629119384.db2.gz	SAERSJMQSOKRGH-OAHLLOKOSA-N	-1	0	296.326	2.965	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOC2CCOCC2)c2ccccc21	ZINC000789050844	629120551	/nfs/dbraw/zinc/12/05/51/629120551.db2.gz	LYNMKZCRRXFOSR-CQSZACIVSA-N	-1	0	289.331	2.548	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cn3ccccc3n2)cc1	ZINC000791427093	629313459	/nfs/dbraw/zinc/31/34/59/629313459.db2.gz	GORBNHXNJSEHCK-RMKNXTFCSA-N	-1	0	292.294	2.929	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccsc1C	ZINC000835055955	629360375	/nfs/dbraw/zinc/36/03/75/629360375.db2.gz	CCOHQSTWHPQEPG-GFCCVEGCSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CCCC(=NN[C@@H](CC)C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000793056124	629480672	/nfs/dbraw/zinc/48/06/72/629480672.db2.gz	CVTRKKVJHOQXDC-LBPRGKRZSA-N	-1	0	293.323	2.552	20	30		CFEDRM
CC[C@H](NN=C(C)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000793055943	629480686	/nfs/dbraw/zinc/48/06/86/629480686.db2.gz	QVOLXMMGFUUWAG-JTQLQIEISA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000793056868	629480689	/nfs/dbraw/zinc/48/06/89/629480689.db2.gz	YENMKJGXBRQSLE-LLVKDONJSA-N	-1	0	288.269	2.882	20	30		CFEDRM
CC[C@@H](NN=C1CC2(CCC2)Oc2ccccc21)C(=O)[O-]	ZINC000793056705	629480842	/nfs/dbraw/zinc/48/08/42/629480842.db2.gz	WQSWQHOYDLDQCT-GFCCVEGCSA-N	-1	0	288.347	2.549	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(SC(F)F)cc1)C(=O)[O-]	ZINC000793056620	629480935	/nfs/dbraw/zinc/48/09/35/629480935.db2.gz	IFMUICJKAULPHF-SNVBAGLBSA-N	-1	0	288.319	2.788	20	30		CFEDRM
CCSc1cccc(C=NN[C@H](CC)C(=O)[O-])c1	ZINC000793055289	629480990	/nfs/dbraw/zinc/48/09/90/629480990.db2.gz	LDWSRBSUMBTYSH-GFCCVEGCSA-N	-1	0	266.366	2.585	20	30		CFEDRM
CC[C@@H](NN=C(CC(F)(F)F)c1ccccc1)C(=O)[O-]	ZINC000793058608	629481602	/nfs/dbraw/zinc/48/16/02/629481602.db2.gz	WLVAPLZTZOMJCT-SNVBAGLBSA-N	-1	0	288.269	2.796	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H]1Cc1ccccc1)C(=O)[O-]	ZINC000793057843	629481653	/nfs/dbraw/zinc/48/16/53/629481653.db2.gz	PWIWZKYREKPQBL-KGLIPLIRSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000793071510	629482972	/nfs/dbraw/zinc/48/29/72/629482972.db2.gz	KMKLFMXBBCQCPF-LLVKDONJSA-N	-1	0	260.293	2.610	20	30		CFEDRM
CC[C@@H](NN=C(C)Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000793073394	629483614	/nfs/dbraw/zinc/48/36/14/629483614.db2.gz	UVTKIKULCWQUMZ-GFCCVEGCSA-N	-1	0	268.744	2.711	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](C(C)C)c2ccccc21)C(=O)[O-]	ZINC000793077900	629484356	/nfs/dbraw/zinc/48/43/56/629484356.db2.gz	JMEXIPVOJQKXKQ-KGLIPLIRSA-N	-1	0	274.364	2.987	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H](c2cccnc2)C1)C(=O)[O-]	ZINC000793077885	629484422	/nfs/dbraw/zinc/48/44/22/629484422.db2.gz	JFSKDLCAQKUALZ-SMDDNHRTSA-N	-1	0	275.352	2.548	20	30		CFEDRM
C[C@@H](NN=Cc1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C	ZINC000793116354	629489130	/nfs/dbraw/zinc/48/91/30/629489130.db2.gz	SALNKSZAKUZDHQ-SECBINFHSA-N	-1	0	265.313	2.659	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1cccc(Cl)n1	ZINC000793163226	629495572	/nfs/dbraw/zinc/49/55/72/629495572.db2.gz	ZVUOLGFLULWIMO-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
CC1CCC(OCC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000793734474	629589811	/nfs/dbraw/zinc/58/98/11/629589811.db2.gz	BQBMKAVKRPDRSH-UHFFFAOYSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C#Cc2ccccc2)c1	ZINC000794622980	629669758	/nfs/dbraw/zinc/66/97/58/629669758.db2.gz	KIZXZYBYQXRIAS-UHFFFAOYSA-N	-1	0	293.322	2.975	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2c2ccccn2)nc1	ZINC000794922447	629705031	/nfs/dbraw/zinc/70/50/31/629705031.db2.gz	JZOCDYJUOOMXRF-GFCCVEGCSA-N	-1	0	296.330	2.910	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cnn(C)c1	ZINC000794934426	629707206	/nfs/dbraw/zinc/70/72/06/629707206.db2.gz	KRBDXQWHPPDVPK-PLNGDYQASA-N	-1	0	284.315	2.631	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(N=Nc2cccc(F)n2)c2ccccc21	ZINC000795009573	629723296	/nfs/dbraw/zinc/72/32/96/629723296.db2.gz	FGLYKSFNZHQKMH-GFCCVEGCSA-N	-1	0	299.305	2.999	20	30		CFEDRM
CC(=NNc1cccc(F)n1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000795010027	629724257	/nfs/dbraw/zinc/72/42/57/629724257.db2.gz	UAIRKYOZQBLJQF-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1	ZINC000835450446	629735522	/nfs/dbraw/zinc/73/55/22/629735522.db2.gz	ZWNWHIJSJIIMLS-RWMBFGLXSA-N	-1	0	299.436	2.613	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(F)(F)C2)c1	ZINC000795152181	629739442	/nfs/dbraw/zinc/73/94/42/629739442.db2.gz	XWESSDYYKCQQQD-SECBINFHSA-N	-1	0	266.247	2.638	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1	ZINC000835463682	629749041	/nfs/dbraw/zinc/74/90/41/629749041.db2.gz	CNFYVUGOJUVHIA-ZDUSSCGKSA-N	-1	0	295.404	2.796	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1	ZINC000796781836	629965083	/nfs/dbraw/zinc/96/50/83/629965083.db2.gz	YTVJCSFLHDNANH-GFCCVEGCSA-N	-1	0	278.377	2.685	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000797238480	630046581	/nfs/dbraw/zinc/04/65/81/630046581.db2.gz	YGJIZWJVSOTLQF-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
C#Cc1cccc(NC(=O)N([C@@H](CC)C(=O)[O-])C2CC2)c1	ZINC000797737235	630098664	/nfs/dbraw/zinc/09/86/64/630098664.db2.gz	UTNHZUUWNXTSPF-AWEZNQCLSA-N	-1	0	286.331	2.527	20	30		CFEDRM
C#CCCCCC(=O)[N-]S(=O)(=O)CCC1CCCCC1	ZINC000835944616	630170221	/nfs/dbraw/zinc/17/02/21/630170221.db2.gz	SIENSVATFOLZDM-UHFFFAOYSA-N	-1	0	299.436	2.596	20	30		CFEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(CCCCC)cc1	ZINC000835972018	630192528	/nfs/dbraw/zinc/19/25/28/630192528.db2.gz	FIXABCVKFHFGJO-UHFFFAOYSA-N	-1	0	290.363	2.592	20	30		CFEDRM
COc1ccccc1CO[N-]C(=O)C1(C#N)CCCCC1	ZINC000799094764	630275207	/nfs/dbraw/zinc/27/52/07/630275207.db2.gz	RNMVPPCTKBBFHJ-UHFFFAOYSA-N	-1	0	288.347	2.717	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnoc1C	ZINC000799473520	630311759	/nfs/dbraw/zinc/31/17/59/630311759.db2.gz	HUTUHYIXASCNBY-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncccc1OC	ZINC000799637792	630326906	/nfs/dbraw/zinc/32/69/06/630326906.db2.gz	TXJIZTOURZZIQH-UHFFFAOYSA-N	-1	0	286.397	2.802	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncc(CC)o1	ZINC000799644254	630327806	/nfs/dbraw/zinc/32/78/06/630327806.db2.gz	GWYILFPLBJNXIF-UHFFFAOYSA-N	-1	0	274.386	2.949	20	30		CFEDRM
COc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1F	ZINC000799866242	630349584	/nfs/dbraw/zinc/34/95/84/630349584.db2.gz	ZEEVIVCCHPEKRW-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
C[C@H]1CC[C@@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000800809303	630406482	/nfs/dbraw/zinc/40/64/82/630406482.db2.gz	IPRDEAGSBLAZPM-WDEREUQCSA-N	-1	0	287.388	2.955	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(Cl)nc2)cc1C(=O)[O-]	ZINC000800813957	630407581	/nfs/dbraw/zinc/40/75/81/630407581.db2.gz	NEUYAZRCWLVPLP-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
Cc1[nH]c(C=NN[C@@H]2CCCC2(C)C)cc1C(=O)[O-]	ZINC000800817891	630408332	/nfs/dbraw/zinc/40/83/32/630408332.db2.gz	YIBUZQJQGDQDAH-GFCCVEGCSA-N	-1	0	263.341	2.524	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=CC(=O)c1cc[nH]c(=O)c1	ZINC000806555916	630811004	/nfs/dbraw/zinc/81/10/04/630811004.db2.gz	KHRNNDFHDBSZHX-ARJAWSKDSA-N	-1	0	297.310	2.998	20	30		CFEDRM
C#C[C@H](NC(=O)c1cccc(Cl)c1[O-])C(C)(C)C	ZINC000807884343	630919082	/nfs/dbraw/zinc/91/90/82/630919082.db2.gz	YOPCIORDQOYLIV-NSHDSACASA-N	-1	0	265.740	2.823	20	30		CFEDRM
CCOC(=O)CC(C)(C)CN=Nc1ccccc1C(=O)[O-]	ZINC000807958456	630925956	/nfs/dbraw/zinc/92/59/56/630925956.db2.gz	YSTFTYAOFVPDCC-UHFFFAOYSA-N	-1	0	292.335	2.762	20	30		CFEDRM
C=CCO[N-]C(=O)CSc1ccc(C)cc1C	ZINC000837043607	630943677	/nfs/dbraw/zinc/94/36/77/630943677.db2.gz	CHPCLKPXNSYFCP-UHFFFAOYSA-N	-1	0	251.351	2.629	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(C)c(OC)c2)CCC1	ZINC000837047246	630945107	/nfs/dbraw/zinc/94/51/07/630945107.db2.gz	ZMQRVODXXQGKPZ-UHFFFAOYSA-N	-1	0	275.348	2.659	20	30		CFEDRM
Cc1cccc2cc(C([O-])=C(C#N)C(=O)NC3CC3)sc21	ZINC000808980055	631061346	/nfs/dbraw/zinc/06/13/46/631061346.db2.gz	RZPRKABXBRMHSH-GFCCVEGCSA-N	-1	0	298.367	2.811	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3cc(O)ccc3C2=O)ccc1O	ZINC000809157628	631091401	/nfs/dbraw/zinc/09/14/01/631091401.db2.gz	RDQVUFWHKCXXQP-VZUCSPMQSA-N	-1	0	296.278	2.618	20	30		CFEDRM
CCc1cnccc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809158524	631091610	/nfs/dbraw/zinc/09/16/10/631091610.db2.gz	SYBBGBXWKFWRQA-HYXAFXHYSA-N	-1	0	297.310	2.944	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(C3CC3)cc2)C(=O)O1	ZINC000840715629	631176246	/nfs/dbraw/zinc/17/62/46/631176246.db2.gz	QNIXVSRPTJMURP-INDRUJQFSA-N	-1	0	296.322	2.792	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000042315873	649997474	/nfs/dbraw/zinc/99/74/74/649997474.db2.gz	SJUUXZFUSOFDAI-UHFFFAOYSA-N	-1	0	293.266	2.761	20	30		CFEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccs2)cc1	ZINC000042243666	649996693	/nfs/dbraw/zinc/99/66/93/649996693.db2.gz	NCVHLRSYMZFVIU-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
C/C(=C/c1ccc(C)cc1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000810083649	631323604	/nfs/dbraw/zinc/32/36/04/631323604.db2.gz	PSSQTTFFUYDEBB-XFFZJAGNSA-N	-1	0	291.314	2.503	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)CC(C)C	ZINC000841604399	631428438	/nfs/dbraw/zinc/42/84/38/631428438.db2.gz	VMJOYDSIPJQVJH-CYBMUJFWSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CCC(=NNc1cnnc([O-])c1Cl)[C@@H]1C[C@@H]1C	ZINC000841617118	631432656	/nfs/dbraw/zinc/43/26/56/631432656.db2.gz	VMFKSXAGGHPRPV-NKWVEPMBSA-N	-1	0	254.721	2.670	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@@H]2CC)CC1	ZINC000810980519	631490556	/nfs/dbraw/zinc/49/05/56/631490556.db2.gz	BAKSZXJMEQZUGQ-QWHCGFSZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccoc2C(C)C)CC1	ZINC000810986390	631491150	/nfs/dbraw/zinc/49/11/50/631491150.db2.gz	XUMJOYIWQMWTGV-UHFFFAOYSA-N	-1	0	297.376	2.571	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(CC)(CC)CC)CC1	ZINC000810987847	631491339	/nfs/dbraw/zinc/49/13/39/631491339.db2.gz	BOQGDRODJUAUTF-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)CC1	ZINC000810985607	631491371	/nfs/dbraw/zinc/49/13/71/631491371.db2.gz	CFBAQPNIHSVTFZ-LLVKDONJSA-N	-1	0	287.425	2.613	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1ccc(C(=O)[O-])cc1	ZINC000811668250	631603147	/nfs/dbraw/zinc/60/31/47/631603147.db2.gz	CUJZXPQLJUTHRW-KJXLZJQQSA-N	-1	0	253.685	2.878	20	30		CFEDRM
Cc1ccc([O-])c(C(=O)/C=C/c2nc(C#N)cs2)c1	ZINC000811694794	631606918	/nfs/dbraw/zinc/60/69/18/631606918.db2.gz	ZZGZSEGCBDQNEZ-SNAWJCMRSA-N	-1	0	270.313	2.925	20	30		CFEDRM
CC(=NNC12CC(C1)C2)[C@H](C)CCCCC(=O)[O-]	ZINC000842543017	631659030	/nfs/dbraw/zinc/65/90/30/631659030.db2.gz	AYSWSIUUNDVBLP-PWQPVHBWSA-N	-1	0	252.358	2.786	20	30		CFEDRM
Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C(F)F)n1	ZINC000812221914	631669722	/nfs/dbraw/zinc/66/97/22/631669722.db2.gz	FHXNVAMBVBMWSM-UHFFFAOYSA-N	-1	0	294.261	2.502	20	30		CFEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OC/C=C\Cl)CC2)c1	ZINC000812403600	631703859	/nfs/dbraw/zinc/70/38/59/631703859.db2.gz	TUQOXJIHBFZSNL-RJRFIUFISA-N	-1	0	294.713	2.529	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1(F)CC1	ZINC000842681389	631705752	/nfs/dbraw/zinc/70/57/52/631705752.db2.gz	DDUZMONFHVKULK-LLVKDONJSA-N	-1	0	284.290	2.870	20	30		CFEDRM
CC(=O)Nc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000812443242	631719157	/nfs/dbraw/zinc/71/91/57/631719157.db2.gz	OUTYFDOWVCJSFA-UHFFFAOYSA-N	-1	0	297.314	2.789	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccccc2F)c1	ZINC000812460720	631722011	/nfs/dbraw/zinc/72/20/11/631722011.db2.gz	TVUJOOMDHDEHSJ-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000812707263	631762522	/nfs/dbraw/zinc/76/25/22/631762522.db2.gz	COJUOMCKLHHHTD-UHFFFAOYSA-N	-1	0	273.332	2.973	20	30		CFEDRM
C#CCO[N-]C(=O)COc1ccc(Oc2ccccc2)cc1	ZINC000812781295	631772975	/nfs/dbraw/zinc/77/29/75/631772975.db2.gz	OQZYWIARZVRMQB-UHFFFAOYSA-N	-1	0	297.310	2.539	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@]1(c2ccccc2)CC1(C)C	ZINC000856028009	635703436	/nfs/dbraw/zinc/70/34/36/635703436.db2.gz	JQFOVTCWUCTUKG-INIZCTEOSA-N	-1	0	259.349	2.978	20	30		CFEDRM
CSCCCCN=Nc1ccc(C(=O)[O-])cc1	ZINC000814680731	632106804	/nfs/dbraw/zinc/10/68/04/632106804.db2.gz	GFHVYYADNLPDBE-UHFFFAOYSA-N	-1	0	252.339	2.926	20	30		CFEDRM
Cc1cccc2c1OCC2=NNc1ccccc1C(=O)[O-]	ZINC000814768242	632119906	/nfs/dbraw/zinc/11/99/06/632119906.db2.gz	ODWDKRUMYQYRPR-UHFFFAOYSA-N	-1	0	282.299	2.902	20	30		CFEDRM
CON=C1CC(C(=O)[O-])(c2cccc(Br)c2)C1	ZINC000814795938	632125124	/nfs/dbraw/zinc/12/51/24/632125124.db2.gz	PPHXTBJMSCWVAP-UHFFFAOYSA-N	-1	0	298.136	2.568	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2nccc3sccc32)C1	ZINC000814809270	632130006	/nfs/dbraw/zinc/13/00/06/632130006.db2.gz	UZIDJHSWGCSQRM-UHFFFAOYSA-N	-1	0	261.306	2.559	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814829631	632133476	/nfs/dbraw/zinc/13/34/76/632133476.db2.gz	CSCDREKXUTVFHJ-NXEZZACHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccnc3ccccc23)CC[C@H]1C(=O)[O-]	ZINC000814841695	632135919	/nfs/dbraw/zinc/13/59/19/632135919.db2.gz	TUAUHZZTTXZELM-WCQYABFASA-N	-1	0	297.358	2.945	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc(F)cn2)CC[C@H]1CC(=O)[O-]	ZINC000814842422	632137102	/nfs/dbraw/zinc/13/71/02/632137102.db2.gz	HFBOKSADLWKERV-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc(F)cn2)CC[C@@H]1C(=O)[O-]	ZINC000814842275	632137135	/nfs/dbraw/zinc/13/71/35/632137135.db2.gz	ACOUHPHYQGFIKD-KWQFWETISA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)n1	ZINC000814854889	632139807	/nfs/dbraw/zinc/13/98/07/632139807.db2.gz	ALMSUNZHZVQUEF-CBAPKCEASA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1ccnc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)c1	ZINC000814867664	632142336	/nfs/dbraw/zinc/14/23/36/632142336.db2.gz	APBGJCJVESDJEE-UHFFFAOYSA-N	-1	0	295.342	2.974	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNC1CCOCC1	ZINC000814869518	632143537	/nfs/dbraw/zinc/14/35/37/632143537.db2.gz	MHWUGJKIQATAIG-UHFFFAOYSA-N	-1	0	270.373	2.556	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cc(F)ccc1F	ZINC000814872250	632144048	/nfs/dbraw/zinc/14/40/48/632144048.db2.gz	IASCKBVFBTUOFG-VHSXEESVSA-N	-1	0	296.317	2.931	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2ncnc3ccsc32)c1	ZINC000814880073	632147007	/nfs/dbraw/zinc/14/70/07/632147007.db2.gz	QDAYRCCAYMBUAH-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(C#N)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814882115	632147383	/nfs/dbraw/zinc/14/73/83/632147383.db2.gz	DNYIUWKAVNISSG-FZMZJTMJSA-N	-1	0	285.347	2.525	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccc(C#N)cc1	ZINC000814883052	632147717	/nfs/dbraw/zinc/14/77/17/632147717.db2.gz	YINUEDYOHPESMO-UHFFFAOYSA-N	-1	0	285.347	2.669	20	30		CFEDRM
COc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000814884946	632148206	/nfs/dbraw/zinc/14/82/06/632148206.db2.gz	FNUBRDQPDTXZAL-WDEREUQCSA-N	-1	0	276.336	2.984	20	30		CFEDRM
CC(=NOCc1cccnc1)c1csc(C(=O)[O-])c1	ZINC000814883894	632148241	/nfs/dbraw/zinc/14/82/41/632148241.db2.gz	GQAIFJWRYGSTLA-UHFFFAOYSA-N	-1	0	276.317	2.782	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOCc2cccnc2)C1	ZINC000814884312	632148531	/nfs/dbraw/zinc/14/85/31/632148531.db2.gz	VEOYMIDQBHBMCR-UHFFFAOYSA-N	-1	0	296.326	2.771	20	30		CFEDRM
CCCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccn1	ZINC000814890675	632150806	/nfs/dbraw/zinc/15/08/06/632150806.db2.gz	USMXABIWMJZEGC-UHFFFAOYSA-N	-1	0	284.319	2.791	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1csc(C(=O)[O-])c1	ZINC000814901938	632155708	/nfs/dbraw/zinc/15/57/08/632155708.db2.gz	BVCJACBGQGJNKT-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
C[C@H]1CC(=NNCCC(C)(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814901206	632155876	/nfs/dbraw/zinc/15/58/76/632155876.db2.gz	CVEIBZRLNZBNLP-JQWIXIFHSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NOCCC(F)(F)F	ZINC000814910549	632160697	/nfs/dbraw/zinc/16/06/97/632160697.db2.gz	WTAINGRKRIBCCI-HTQZYQBOSA-N	-1	0	267.247	2.832	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCCC(F)(F)F)c1	ZINC000814909828	632160931	/nfs/dbraw/zinc/16/09/31/632160931.db2.gz	LHIVPQYASQFSAH-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814911362	632161063	/nfs/dbraw/zinc/16/10/63/632161063.db2.gz	DKAIRLOUCRUWOQ-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814911530	632161751	/nfs/dbraw/zinc/16/17/51/632161751.db2.gz	MLJDVXVUKYMGES-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
COc1cc(NN=Cc2c[nH]c(C(=O)[O-])c2)ccc1Cl	ZINC000814919576	632165425	/nfs/dbraw/zinc/16/54/25/632165425.db2.gz	MWAYUCPEFBBWJN-UHFFFAOYSA-N	-1	0	293.710	2.821	20	30		CFEDRM
COc1ccccc1CON=C1CCC(C(=O)[O-])CC1	ZINC000814923518	632167117	/nfs/dbraw/zinc/16/71/17/632167117.db2.gz	JNPWTPDLPRLKKT-UHFFFAOYSA-N	-1	0	277.320	2.843	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814927372	632168237	/nfs/dbraw/zinc/16/82/37/632168237.db2.gz	LGNFCDSPJORVNZ-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
COCCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814931859	632170206	/nfs/dbraw/zinc/17/02/06/632170206.db2.gz	VBVRKVJPXYUTHS-GHMZBOCLSA-N	-1	0	271.357	2.552	20	30		CFEDRM
C=C(C)CNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814932983	632170871	/nfs/dbraw/zinc/17/08/71/632170871.db2.gz	ZYQKLHHMVNBZFN-UHFFFAOYSA-N	-1	0	252.701	2.538	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOC/C=C/Cl)CC2	ZINC000814934097	632171991	/nfs/dbraw/zinc/17/19/91/632171991.db2.gz	LJOOLYDEEDPTSP-WSVDXXRDSA-N	-1	0	279.723	2.999	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOCC1CC1	ZINC000814940826	632175489	/nfs/dbraw/zinc/17/54/89/632175489.db2.gz	AXHKGEYSXVOAEW-UHFFFAOYSA-N	-1	0	259.305	2.852	20	30		CFEDRM
CC1(c2ccccc2)CCC(=NNCC(=O)[O-])CC1	ZINC000814959097	632179751	/nfs/dbraw/zinc/17/97/51/632179751.db2.gz	MIRJJIZUVUDZDL-UHFFFAOYSA-N	-1	0	260.337	2.549	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@@H]1C1CCCCC1	ZINC000814960244	632180352	/nfs/dbraw/zinc/18/03/52/632180352.db2.gz	IVQHGHBGEUMWCY-GFCCVEGCSA-N	-1	0	252.358	2.787	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000815037184	632189674	/nfs/dbraw/zinc/18/96/74/632189674.db2.gz	HJGYPBYBXDDEHG-UHFFFAOYSA-N	-1	0	282.299	2.918	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1ccccc1[O-]	ZINC000156601832	650056034	/nfs/dbraw/zinc/05/60/34/650056034.db2.gz	YCUMCERGEFVASZ-VOTSOKGWSA-N	-1	0	272.256	2.668	20	30		CFEDRM
CC#CCN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12	ZINC000815280449	632243557	/nfs/dbraw/zinc/24/35/57/632243557.db2.gz	KJYZTDQAWKYFHH-UHFFFAOYSA-N	-1	0	291.734	2.607	20	30		CFEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000844588222	632255388	/nfs/dbraw/zinc/25/53/88/632255388.db2.gz	QLPZECXVMPIDHS-SNVBAGLBSA-N	-1	0	259.309	2.924	20	30		CFEDRM
C=C(C)CON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000844620570	632264737	/nfs/dbraw/zinc/26/47/37/632264737.db2.gz	YDZOUOVLDMHPJB-UHFFFAOYSA-N	-1	0	259.305	2.752	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000844621203	632265881	/nfs/dbraw/zinc/26/58/81/632265881.db2.gz	WDPKJJQGVQNHDD-ZYHUDNBSSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844621971	632266040	/nfs/dbraw/zinc/26/60/40/632266040.db2.gz	RCRKLUDTDAJVMO-MRVPVSSYSA-N	-1	0	250.254	2.616	20	30		CFEDRM
CCC(COC)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623798	632267728	/nfs/dbraw/zinc/26/77/28/632267728.db2.gz	MCACIHBTSKRDJI-UHFFFAOYSA-N	-1	0	250.298	2.518	20	30		CFEDRM
CC(C)(C)[C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000815711087	632314196	/nfs/dbraw/zinc/31/41/96/632314196.db2.gz	FGVYNIHLVFDSMX-UJURSFKZSA-N	-1	0	283.187	2.980	20	30		CFEDRM
C[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])C[C@H]2C[C@H]2C1	ZINC000815878236	632328131	/nfs/dbraw/zinc/32/81/31/632328131.db2.gz	YHXCZQUCWSTGNE-HBYGRHMLSA-N	-1	0	256.305	2.639	20	30		CFEDRM
N#CC(C(=O)C1CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845838580	632577451	/nfs/dbraw/zinc/57/74/51/632577451.db2.gz	XHBTVLJYEUFRFT-NSHDSACASA-N	-1	0	273.357	2.928	20	30		CFEDRM
CO[C@@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845843119	632578560	/nfs/dbraw/zinc/57/85/60/632578560.db2.gz	XUQFEADXUJRVSS-ONGXEEELSA-N	-1	0	291.372	2.553	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3cccnc3CC2)nc1	ZINC000817326754	632602397	/nfs/dbraw/zinc/60/23/97/632602397.db2.gz	VNELSVWIHFANIV-UHFFFAOYSA-N	-1	0	296.330	2.522	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C)c(C)c1Cl	ZINC000846146377	632646573	/nfs/dbraw/zinc/64/65/73/632646573.db2.gz	IFDQKELLABLBBC-UHFFFAOYSA-N	-1	0	296.754	2.519	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(C)c1Cl	ZINC000846156472	632648426	/nfs/dbraw/zinc/64/84/26/632648426.db2.gz	LXOLEFQYGJVZLS-VIFPVBQESA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C(Cl)CN(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000846263491	632676366	/nfs/dbraw/zinc/67/63/66/632676366.db2.gz	CGBBZUDGCUKMAE-UHFFFAOYSA-N	-1	0	274.147	2.979	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(C(C)C)nc1CC	ZINC000846263531	632676974	/nfs/dbraw/zinc/67/69/74/632676974.db2.gz	OFTSCLBXYGQDQI-UHFFFAOYSA-N	-1	0	276.380	2.840	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc2ccccc2n1C(F)F	ZINC000846263456	632677331	/nfs/dbraw/zinc/67/73/31/632677331.db2.gz	LMBIQGPRWFGEPD-UHFFFAOYSA-N	-1	0	295.289	2.504	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1CCCC[C@H]1CC	ZINC000846535489	632724315	/nfs/dbraw/zinc/72/43/15/632724315.db2.gz	BMCWGWCPINIHCP-CHWSQXEVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Oc1cccc(C)c1	ZINC000846537486	632726291	/nfs/dbraw/zinc/72/62/91/632726291.db2.gz	MPKWXMAFKZICOM-CQSZACIVSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(Cl)cc1Cl	ZINC000846540767	632729414	/nfs/dbraw/zinc/72/94/14/632729414.db2.gz	JQVMDFUUKODJRJ-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000846540237	632729575	/nfs/dbraw/zinc/72/95/75/632729575.db2.gz	XWHXAYWTZXBXDO-OAHLLOKOSA-N	-1	0	288.347	2.586	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(C)ccc1Cl	ZINC000846542272	632730884	/nfs/dbraw/zinc/73/08/84/632730884.db2.gz	YABWUMKPZDCTGW-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000846543232	632731782	/nfs/dbraw/zinc/73/17/82/632731782.db2.gz	MRMRKLGHVYZKMG-KOLCDFICSA-N	-1	0	281.739	2.513	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(C(C)C)cc1	ZINC000846544634	632732920	/nfs/dbraw/zinc/73/29/20/632732920.db2.gz	XTDPZBISXOJTJV-LBPRGKRZSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(F)cc2)CCC1	ZINC000846544937	632733251	/nfs/dbraw/zinc/73/32/51/632733251.db2.gz	SHEJYURIMWLARW-LLVKDONJSA-N	-1	0	263.312	2.870	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccc(C)cc1	ZINC000846547707	632736703	/nfs/dbraw/zinc/73/67/03/632736703.db2.gz	FGSPFNDFFVGWIH-SNVBAGLBSA-N	-1	0	255.264	2.709	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CO[C@@H]1CCCc2ccccc21	ZINC000846553144	632741127	/nfs/dbraw/zinc/74/11/27/632741127.db2.gz	YIQAXKMGAYINJP-IUODEOHRSA-N	-1	0	275.348	2.703	20	30		CFEDRM
C#CCCCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000847566793	633002943	/nfs/dbraw/zinc/00/29/43/633002943.db2.gz	BQNBKSVOECZBSV-UHFFFAOYSA-N	-1	0	285.265	2.944	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]OCc1ccc(F)cc1	ZINC000819495039	633182774	/nfs/dbraw/zinc/18/27/74/633182774.db2.gz	XOYRJGVMBRDZSW-UHFFFAOYSA-N	-1	0	251.301	2.976	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C[C@H](C)O1	ZINC000848414371	633253131	/nfs/dbraw/zinc/25/31/31/633253131.db2.gz	NLYSETGXQRBQAP-PHIMTYICSA-N	-1	0	276.336	2.669	20	30		CFEDRM
CC(C)OC1CC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414715	633253464	/nfs/dbraw/zinc/25/34/64/633253464.db2.gz	QVVHWEWVILQQGL-UHFFFAOYSA-N	-1	0	276.336	2.669	20	30		CFEDRM
N#Cc1ncc(C(F)(F)F)cc1NCCCCC(=O)[O-]	ZINC000852907587	634858981	/nfs/dbraw/zinc/85/89/81/634858981.db2.gz	FAYOMTWFDSERNI-UHFFFAOYSA-N	-1	0	287.241	2.639	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1ccccc1[O-]	ZINC000848640869	633306607	/nfs/dbraw/zinc/30/66/07/633306607.db2.gz	VXGLNTHQGFDASE-CMDGGOBGSA-N	-1	0	268.316	2.821	20	30		CFEDRM
CCCCCCCCC(=O)NC1(CC(=O)[O-])CCOCC1	ZINC000852954818	634865960	/nfs/dbraw/zinc/86/59/60/634865960.db2.gz	TXMYGODQZTVFBG-UHFFFAOYSA-N	-1	0	299.411	2.877	20	30		CFEDRM
CCO[C@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000849169229	633577601	/nfs/dbraw/zinc/57/76/01/633577601.db2.gz	AFPKLKPPJBBXPM-MSUZXIMKSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@@H]2Cc3ccccc3[C@@H]2C)c1O	ZINC000849170040	633578343	/nfs/dbraw/zinc/57/83/43/633578343.db2.gz	KBNUVWBBXPYVJU-SHCQCUIISA-N	-1	0	296.370	2.735	20	30		CFEDRM
C[C@@]1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172390	633579509	/nfs/dbraw/zinc/57/95/09/633579509.db2.gz	RLEOHYZEAZPKCP-MEVQPNOLSA-N	-1	0	270.235	2.765	20	30		CFEDRM
C=CCCC1(CNC(=O)CCCC(=O)[O-])CCCC1	ZINC000849183739	633581294	/nfs/dbraw/zinc/58/12/94/633581294.db2.gz	UBKZIPOQVYIRIE-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1ccccc1[O-]	ZINC000849246245	633589987	/nfs/dbraw/zinc/58/99/87/633589987.db2.gz	GFVQDZLQLDOHLT-FPLPWBNLSA-N	-1	0	268.316	2.895	20	30		CFEDRM
Cn1ncc(C2CC2)c1C=CC(=O)c1sccc1[O-]	ZINC000849249471	633590364	/nfs/dbraw/zinc/59/03/64/633590364.db2.gz	IQJMEZIMOFSODT-PLNGDYQASA-N	-1	0	274.345	2.961	20	30		CFEDRM
Cn1ncc(C2CC2)c1C=CC(=O)c1sccc1[O-]	ZINC000849249473	633590664	/nfs/dbraw/zinc/59/06/64/633590664.db2.gz	IQJMEZIMOFSODT-SNAWJCMRSA-N	-1	0	274.345	2.961	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000850751541	634079667	/nfs/dbraw/zinc/07/96/67/634079667.db2.gz	CUKFTDFRFLLCHV-OAHLLOKOSA-N	-1	0	284.359	2.755	20	30		CFEDRM
CCCn1nccc1/C=C\C(=O)c1ccc(OC)cc1[O-]	ZINC000853006808	634872312	/nfs/dbraw/zinc/87/23/12/634872312.db2.gz	KQQUNPGAVPKEDM-DAXSKMNVSA-N	-1	0	286.331	2.903	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NC1CCC(C2CCC2)CC1	ZINC000853051958	634891207	/nfs/dbraw/zinc/89/12/07/634891207.db2.gz	KNDCPHSNDTUAJL-UHFFFAOYSA-N	-1	0	294.395	2.628	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C[C@@H]1CC[C@H]2C[C@H]2C1	ZINC000853284201	634957967	/nfs/dbraw/zinc/95/79/67/634957967.db2.gz	TXZTUMIGELQCRG-GRYCIOLGSA-N	-1	0	299.399	2.955	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1	ZINC000853326445	634970070	/nfs/dbraw/zinc/97/00/70/634970070.db2.gz	ZUUYUQHHUSQMTN-FOGDFJRCSA-N	-1	0	259.309	2.614	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCC2CCCC2)cc1F	ZINC000853347473	634979110	/nfs/dbraw/zinc/97/91/10/634979110.db2.gz	WGSSQSPZTVBNRN-UHFFFAOYSA-N	-1	0	264.300	2.638	20	30		CFEDRM
CCOC1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000853354308	634981362	/nfs/dbraw/zinc/98/13/62/634981362.db2.gz	DFVHTCHSPZUDLP-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000853380064	634987314	/nfs/dbraw/zinc/98/73/14/634987314.db2.gz	MVNCWMIEEBVWST-SNVBAGLBSA-N	-1	0	263.297	2.509	20	30		CFEDRM
CC(N=Nc1ccncc1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000853402780	634995211	/nfs/dbraw/zinc/99/52/11/634995211.db2.gz	LANNABWJFFZNFM-MNOVXSKESA-N	-1	0	293.342	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@]1(C)CCCc2ccccc21	ZINC000856031608	635706352	/nfs/dbraw/zinc/70/63/52/635706352.db2.gz	WXQWHXBRWKBVPH-MRXNPFEDSA-N	-1	0	259.349	2.905	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc(OC)cc2)CCC1	ZINC000856031327	635706646	/nfs/dbraw/zinc/70/66/46/635706646.db2.gz	LHVVEABBDGABIW-UHFFFAOYSA-N	-1	0	275.348	2.741	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccccc1OCC	ZINC000856034105	635709314	/nfs/dbraw/zinc/70/93/14/635709314.db2.gz	GSSVSWLLJWGZLM-UHFFFAOYSA-N	-1	0	285.290	2.801	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](OC(C)C)c1ccccc1	ZINC000856035897	635709733	/nfs/dbraw/zinc/70/97/33/635709733.db2.gz	MPWUBHLCKAIBIX-AWEZNQCLSA-N	-1	0	263.337	2.777	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)[C@H]1OCCc2sccc21	ZINC000856035908	635710415	/nfs/dbraw/zinc/71/04/15/635710415.db2.gz	NEFHVCGVRSNUSC-ZWNOBZJWSA-N	-1	0	281.377	2.622	20	30		CFEDRM
N#Cc1ccc(CSCC(=O)[N-]OCC2CCC2)cc1	ZINC000856345238	635788251	/nfs/dbraw/zinc/78/82/51/635788251.db2.gz	JFJXKALHBLGPMW-UHFFFAOYSA-N	-1	0	290.388	2.639	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708515	650222043	/nfs/dbraw/zinc/22/20/43/650222043.db2.gz	RLFAPZQEBPEWIY-CMDGGOBGSA-N	-1	0	277.301	2.638	20	30		CFEDRM
C=CCCCCCCCCNC(=O)N1CC(C(=O)[O-])C1	ZINC000857100655	635929681	/nfs/dbraw/zinc/92/96/81/635929681.db2.gz	IQSMIOGKAWIAHC-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)C1CC1	ZINC000048423015	650265095	/nfs/dbraw/zinc/26/50/95/650265095.db2.gz	QZRLJLVBNWFYNO-PKNBQFBNSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048595703	650272239	/nfs/dbraw/zinc/27/22/39/650272239.db2.gz	XMONYYGWTXGTSJ-UHFFFAOYSA-N	-1	0	295.385	2.777	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048594875	650272253	/nfs/dbraw/zinc/27/22/53/650272253.db2.gz	VRWXBZOHVKRICA-CMDGGOBGSA-N	-1	0	291.328	2.779	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000048472149	650268259	/nfs/dbraw/zinc/26/82/59/650268259.db2.gz	PTCKJMUYFGXZDC-SNVBAGLBSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1cc(C)c(C=CC(=O)[N-]S(C)(=O)=O)cc1C	ZINC000048486785	650268803	/nfs/dbraw/zinc/26/88/03/650268803.db2.gz	ISSGWOWYUZRECU-AATRIKPKSA-N	-1	0	267.350	2.541	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000048515175	650269218	/nfs/dbraw/zinc/26/92/18/650269218.db2.gz	AYWDYSZELWPEJE-UHFFFAOYSA-N	-1	0	261.368	2.892	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000048621063	650272993	/nfs/dbraw/zinc/27/29/93/650272993.db2.gz	QAMBKSVCHLRLMO-UHFFFAOYSA-N	-1	0	298.320	2.515	20	30		CFEDRM
C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F	ZINC000860444557	636886870	/nfs/dbraw/zinc/88/68/70/636886870.db2.gz	CBXMJAMEILZIRM-SSDOTTSWSA-N	-1	0	272.226	2.791	20	30		CFEDRM
C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F	ZINC000860444559	636886883	/nfs/dbraw/zinc/88/68/83/636886883.db2.gz	CBXMJAMEILZIRM-ZETCQYMHSA-N	-1	0	272.226	2.791	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1coc(C(F)F)c1	ZINC000860477364	636893643	/nfs/dbraw/zinc/89/36/43/636893643.db2.gz	GLDONEABWWNMMN-SNVBAGLBSA-N	-1	0	296.273	2.598	20	30		CFEDRM
Cc1nocc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000860853633	636990328	/nfs/dbraw/zinc/99/03/28/636990328.db2.gz	MBJNODPGVHJTKL-CYBMUJFWSA-N	-1	0	294.310	2.606	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000862572653	637438202	/nfs/dbraw/zinc/43/82/02/637438202.db2.gz	MEEXPQIHMNPHGZ-VIFPVBQESA-N	-1	0	281.714	2.670	20	30		CFEDRM
CCC(CCc1ccccc1)=NN[C@@H](CC)C(=O)[O-]	ZINC000863114394	637560760	/nfs/dbraw/zinc/56/07/60/637560760.db2.gz	INLNUIVCIOOZKN-AWEZNQCLSA-N	-1	0	262.353	2.838	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1	ZINC000864157378	637895548	/nfs/dbraw/zinc/89/55/48/637895548.db2.gz	YDNHLNXUSMJGGJ-ZHRWSRJISA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864161070	637896662	/nfs/dbraw/zinc/89/66/62/637896662.db2.gz	XRXIWUBGDWTABC-SOFGYWHQSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1cccs1)C(=O)[O-]	ZINC000864182686	637906338	/nfs/dbraw/zinc/90/63/38/637906338.db2.gz	CNADODWJUMXKPX-RKDXNWHRSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000864183287	637906561	/nfs/dbraw/zinc/90/65/61/637906561.db2.gz	DLCIQUOVHWXUAY-CYBMUJFWSA-N	-1	0	295.766	2.721	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C)cc1C)C(=O)[O-]	ZINC000864181549	637906624	/nfs/dbraw/zinc/90/66/24/637906624.db2.gz	CWOGPNOKIJCRMC-LBPRGKRZSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1cccs1)C(=O)[O-]	ZINC000864182684	637906867	/nfs/dbraw/zinc/90/68/67/637906867.db2.gz	CNADODWJUMXKPX-IUCAKERBSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000864185691	637907259	/nfs/dbraw/zinc/90/72/59/637907259.db2.gz	ZRWWLIHXPHQKEC-JTQLQIEISA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cc(C)ccc1C)C(=O)[O-]	ZINC000864184551	637907591	/nfs/dbraw/zinc/90/75/91/637907591.db2.gz	ORFJLJALOTXHHY-CYBMUJFWSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864186844	637908700	/nfs/dbraw/zinc/90/87/00/637908700.db2.gz	YOGVHPXTSGAVBD-JQWIXIFHSA-N	-1	0	281.739	2.502	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)c1cccs1)C(=O)[O-]	ZINC000864188246	637909169	/nfs/dbraw/zinc/90/91/69/637909169.db2.gz	RLBQOWQOAFPNQF-UQSGXBNBSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCCCCC)C(=O)[O-]	ZINC000864188910	637909262	/nfs/dbraw/zinc/90/92/62/637909262.db2.gz	XMLULYYHGMTZLG-LBPRGKRZSA-N	-1	0	255.358	2.883	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000864189377	637909372	/nfs/dbraw/zinc/90/93/72/637909372.db2.gz	OURJTNWAPICQFI-SECBINFHSA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C/SCc1ccco1)C(=O)[O-]	ZINC000864188763	637909554	/nfs/dbraw/zinc/90/95/54/637909554.db2.gz	VCRYOGKMOWSFJA-PZBABLGHSA-N	-1	0	295.360	2.562	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000864187907	637909715	/nfs/dbraw/zinc/90/97/15/637909715.db2.gz	QAYIVNHZNWADLO-GLGOKHISSA-N	-1	0	265.353	2.659	20	30		CFEDRM
N#Cc1cccc([C@@H]([N-]C(=O)C(F)(F)F)C(F)(F)F)c1	ZINC000864494477	638002743	/nfs/dbraw/zinc/00/27/43/638002743.db2.gz	IJBFSUUDIKLXKD-MRVPVSSYSA-N	-1	0	296.170	2.840	20	30		CFEDRM
C=CCC[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC000864509885	638005461	/nfs/dbraw/zinc/00/54/61/638005461.db2.gz	OKQUWZKDYNXDAA-SNVBAGLBSA-N	-1	0	282.409	2.950	20	30		CFEDRM
CCCCCCCNC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000864530589	638014740	/nfs/dbraw/zinc/01/47/40/638014740.db2.gz	HFCKCLVRVAUBOY-UHFFFAOYSA-N	-1	0	282.384	2.748	20	30		CFEDRM
C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2)O1	ZINC000076755510	650401240	/nfs/dbraw/zinc/40/12/40/650401240.db2.gz	APERWYUDCAPZBG-NEPJUHHUSA-N	-1	0	297.376	2.680	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1	ZINC000076765254	650401645	/nfs/dbraw/zinc/40/16/45/650401645.db2.gz	CYNXOQRWFISYHP-UHFFFAOYSA-N	-1	0	283.349	2.531	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1ccccc1[O-])CCCC2	ZINC000865219990	638226291	/nfs/dbraw/zinc/22/62/91/638226291.db2.gz	BEFNVEPPZWLRTE-KHPPLWFESA-N	-1	0	282.343	2.901	20	30		CFEDRM
O=C(/C=C/c1ccnn1CC1CCC1)c1ccc(O)cc1[O-]	ZINC000865220402	638226382	/nfs/dbraw/zinc/22/63/82/638226382.db2.gz	JBYLLAFHYRZGME-QPJJXVBHSA-N	-1	0	298.342	2.991	20	30		CFEDRM
CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1[O-]	ZINC000866366983	638805840	/nfs/dbraw/zinc/80/58/40/638805840.db2.gz	DYJIFOMDQQDWCO-NEPJUHHUSA-N	-1	0	284.363	2.892	20	30		CFEDRM
C[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1csnn1	ZINC000866374812	638808903	/nfs/dbraw/zinc/80/89/03/638808903.db2.gz	NZAXEUZHQXTPSH-RKDXNWHRSA-N	-1	0	274.349	2.527	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)s2)C(=O)O1	ZINC000122150202	638943676	/nfs/dbraw/zinc/94/36/76/638943676.db2.gz	YMPYRWZEGLTCQB-KMOQFTEPSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000869153137	639048464	/nfs/dbraw/zinc/04/84/64/639048464.db2.gz	PPECUVMRJKVDCM-UHFFFAOYSA-N	-1	0	290.319	2.640	20	30		CFEDRM
CCCC[C@@H](CC)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122749221	639377692	/nfs/dbraw/zinc/37/76/92/639377692.db2.gz	INWWHWRTZISKQK-CHWSQXEVSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc(SC)c1	ZINC000870134155	639528156	/nfs/dbraw/zinc/52/81/56/639528156.db2.gz	IPLZCHKUKCXPMV-LLVKDONJSA-N	-1	0	294.376	2.630	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cscc1Cl	ZINC000870159666	639530467	/nfs/dbraw/zinc/53/04/67/639530467.db2.gz	RZSFZSGXAYNWDF-VIFPVBQESA-N	-1	0	296.779	2.783	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCC1CCCC1	ZINC000123009703	639558546	/nfs/dbraw/zinc/55/85/46/639558546.db2.gz	YEBPHCKWYRBMQG-CYBMUJFWSA-N	-1	0	287.363	2.672	20	30		CFEDRM
CC[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)C(C)(C)C	ZINC000870242421	639559231	/nfs/dbraw/zinc/55/92/31/639559231.db2.gz	BVOISEFTJQPOIR-VXGBXAGGSA-N	-1	0	289.379	2.774	20	30		CFEDRM
CC[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)C(C)(C)C	ZINC000870242416	639559405	/nfs/dbraw/zinc/55/94/05/639559405.db2.gz	BVOISEFTJQPOIR-NWDGAFQWSA-N	-1	0	289.379	2.774	20	30		CFEDRM
Cc1conc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000870454520	639645364	/nfs/dbraw/zinc/64/53/64/639645364.db2.gz	LPPWZOWMLJWTQS-ZDUSSCGKSA-N	-1	0	294.310	2.606	20	30		CFEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)C1CCC1	ZINC000870689905	639772536	/nfs/dbraw/zinc/77/25/36/639772536.db2.gz	CZJGMYVZCRMNCR-UHFFFAOYSA-N	-1	0	258.321	2.795	20	30		CFEDRM
CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCC1	ZINC000870691723	639774344	/nfs/dbraw/zinc/77/43/44/639774344.db2.gz	PZCGGAOGIBHEFS-UHFFFAOYSA-N	-1	0	258.321	2.939	20	30		CFEDRM
CC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCC1	ZINC000870691515	639774478	/nfs/dbraw/zinc/77/44/78/639774478.db2.gz	NTWJMLDTMJPYPY-UHFFFAOYSA-N	-1	0	258.321	2.939	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CC23CCCC3)c1	ZINC000870693040	639775756	/nfs/dbraw/zinc/77/57/56/639775756.db2.gz	VZDXFDQVQVHDPD-ZDUSSCGKSA-N	-1	0	256.305	2.549	20	30		CFEDRM
C[C@@H](CC1CCCC1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123347368	641091854	/nfs/dbraw/zinc/09/18/54/641091854.db2.gz	QYQGJYKPWRBVPR-AAEUAGOBSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CCCC)C(C)C)CC1	ZINC000870839402	641091935	/nfs/dbraw/zinc/09/19/35/641091935.db2.gz	KKFXIBOABCHWCZ-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C[C@@H](CC1CCCC1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123346961	641092009	/nfs/dbraw/zinc/09/20/09/641092009.db2.gz	QYQGJYKPWRBVPR-WCQYABFASA-N	-1	0	287.363	2.528	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC2	ZINC000193372119	650647577	/nfs/dbraw/zinc/64/75/77/650647577.db2.gz	ZDJOKACUUTVVAN-MRXNPFEDSA-N	-1	0	298.386	2.804	20	30		CFEDRM
Cc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1CCC#N	ZINC000871964246	641534670	/nfs/dbraw/zinc/53/46/70/641534670.db2.gz	ZZIGJSYWJHHDNO-MNOVXSKESA-N	-1	0	269.295	2.560	20	30		CFEDRM
Cc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1CCC#N	ZINC000871964248	641535174	/nfs/dbraw/zinc/53/51/74/641535174.db2.gz	ZZIGJSYWJHHDNO-WDEREUQCSA-N	-1	0	269.295	2.560	20	30		CFEDRM
CCC(CCC(F)(F)F)=NN[C@@H](CC)C(=O)[O-]	ZINC000872377222	641780781	/nfs/dbraw/zinc/78/07/81/641780781.db2.gz	YFMFVPRJVPTJDA-QMMMGPOBSA-N	-1	0	254.252	2.548	20	30		CFEDRM
CC1(C)CC(N=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000872386943	641786054	/nfs/dbraw/zinc/78/60/54/641786054.db2.gz	JBNMNFRAVGSBPO-UHFFFAOYSA-N	-1	0	276.336	2.671	20	30		CFEDRM
Cc1c(N=NCCCCCCO)cccc1C(=O)[O-]	ZINC000872388062	641787177	/nfs/dbraw/zinc/78/71/77/641787177.db2.gz	ZPQSYPXZAPRRIE-UHFFFAOYSA-N	-1	0	264.325	2.644	20	30		CFEDRM
C[C@@H]1C(=NNC[C@@H]2CCCC2(F)F)CC[C@@H]1CC(=O)[O-]	ZINC000872406086	641795245	/nfs/dbraw/zinc/79/52/45/641795245.db2.gz	HJAWZUPFNQENOL-AXFHLTTASA-N	-1	0	288.338	2.888	20	30		CFEDRM
C#CCOc1ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc1	ZINC000872843277	641949824	/nfs/dbraw/zinc/94/98/24/641949824.db2.gz	JRWJUOXLRLAOGU-UHFFFAOYSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2c(C)ccc(C)c2C(=O)[O-])C1	ZINC000872982250	641977059	/nfs/dbraw/zinc/97/70/59/641977059.db2.gz	SUOUGGOATAZGEF-AWEZNQCLSA-N	-1	0	299.370	2.877	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874398589	642379745	/nfs/dbraw/zinc/37/97/45/642379745.db2.gz	NUCTWSOPHDMHFO-GFCCVEGCSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000874420826	642381486	/nfs/dbraw/zinc/38/14/86/642381486.db2.gz	UEQYZSSNAWNDHH-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1cc(-c2cccc(C=O)c2)ccc1C(=O)[O-]	ZINC000874972155	642568634	/nfs/dbraw/zinc/56/86/34/642568634.db2.gz	PHZQKKHUMQRUCX-UHFFFAOYSA-N	-1	0	251.241	2.736	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)c(F)c2)ccc1C(=O)[O-]	ZINC000874973716	642570124	/nfs/dbraw/zinc/57/01/24/642570124.db2.gz	UBAIGNYVDKVBJI-UHFFFAOYSA-N	-1	0	269.231	2.875	20	30		CFEDRM
CC(C)(C)n1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)nn1	ZINC000876498186	642893740	/nfs/dbraw/zinc/89/37/40/642893740.db2.gz	QZKVTTUSXUYWEL-FPLPWBNLSA-N	-1	0	299.330	2.627	20	30		CFEDRM
Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055495	650794517	/nfs/dbraw/zinc/79/45/17/650794517.db2.gz	YSXMXHLBNALTIJ-UHFFFAOYSA-N	-1	0	285.340	2.711	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(C)s1	ZINC000086055140	650794762	/nfs/dbraw/zinc/79/47/62/650794762.db2.gz	IUUBNRPXBICPOU-UHFFFAOYSA-N	-1	0	287.406	2.942	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(F)c(F)c2[O-])C1	ZINC000877312517	643232743	/nfs/dbraw/zinc/23/27/43/643232743.db2.gz	JNLSQZLGNYLJIC-CQSZACIVSA-N	-1	0	266.291	2.796	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1cn(C(C)C)cn1	ZINC000089490523	650844773	/nfs/dbraw/zinc/84/47/73/650844773.db2.gz	CCURKSTYRAKHOV-UHFFFAOYSA-N	-1	0	287.385	2.545	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000092208819	650915939	/nfs/dbraw/zinc/91/59/39/650915939.db2.gz	JHHXPDMKGJPGMY-QPJJXVBHSA-N	-1	0	274.295	2.723	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(CCCC)cc1	ZINC000092461800	650920203	/nfs/dbraw/zinc/92/02/03/650920203.db2.gz	IEKSUCIYDIVSOJ-UHFFFAOYSA-N	-1	0	289.375	2.671	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(F)cc1Cl	ZINC000092466433	650920405	/nfs/dbraw/zinc/92/04/05/650920405.db2.gz	SFVNOKMAIJKBOF-UHFFFAOYSA-N	-1	0	257.692	2.552	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2ccccc2s1	ZINC000092461930	650920586	/nfs/dbraw/zinc/92/05/86/650920586.db2.gz	XCFMWULECLMQCO-UHFFFAOYSA-N	-1	0	275.329	2.614	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1oc(CC)cc1C	ZINC000128674223	644852979	/nfs/dbraw/zinc/85/29/79/644852979.db2.gz	CLYILPVZUMVMEY-CYBMUJFWSA-N	-1	0	290.363	2.779	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCCO2)c1[O-]	ZINC000025257631	645316221	/nfs/dbraw/zinc/31/62/21/645316221.db2.gz	ZDFSXVYFABMZSE-GCIHHOABSA-N	-1	0	284.699	2.552	20	30		CFEDRM
Cc1nc(CC(=O)Nc2cc(C#N)ccc2[O-])c(C)s1	ZINC000129878627	645421262	/nfs/dbraw/zinc/42/12/62/645421262.db2.gz	XZXNFJITUVYUNU-UHFFFAOYSA-N	-1	0	287.344	2.518	20	30		CFEDRM
CC(C)(C#N)CCS(=O)(=O)[N-]c1ncsc1C1CC1	ZINC000882773070	645451318	/nfs/dbraw/zinc/45/13/18/645451318.db2.gz	YFDTYBNLXBBVIP-UHFFFAOYSA-N	-1	0	299.421	2.702	20	30		CFEDRM
CC[C@@H](C)CON=C(C)c1cncc(C(=O)[O-])c1	ZINC000884472447	646375458	/nfs/dbraw/zinc/37/54/58/646375458.db2.gz	ZOEVFWUPPXSSHM-SECBINFHSA-N	-1	0	250.298	2.567	20	30		CFEDRM
C#CC1(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CCCC1	ZINC000887315901	647267752	/nfs/dbraw/zinc/26/77/52/647267752.db2.gz	FDZLQNIRDDAZOE-OAHLLOKOSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C=C[C@H](CCC(=O)[O-])NC(=O)OCC1CCCCC1	ZINC000926481966	648503563	/nfs/dbraw/zinc/50/35/63/648503563.db2.gz	WCWIJDCZAGSRBU-GFCCVEGCSA-N	-1	0	269.341	2.712	20	30		CFEDRM
N#CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F	ZINC000928816343	648959802	/nfs/dbraw/zinc/95/98/02/648959802.db2.gz	XWIBLZYWLWEROK-SECBINFHSA-N	-1	0	292.207	2.739	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000930902125	649346193	/nfs/dbraw/zinc/34/61/93/649346193.db2.gz	NRUBCNQOOATFAD-UHFFFAOYSA-N	-1	0	282.290	2.682	20	30		CFEDRM
C[C@H](CC#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931155723	649388540	/nfs/dbraw/zinc/38/85/40/649388540.db2.gz	VHLSLALKKOMROM-ZCFIWIBFSA-N	-1	0	273.119	2.731	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000931466332	649434701	/nfs/dbraw/zinc/43/47/01/649434701.db2.gz	WXEMTYGURNRXNJ-JTQLQIEISA-N	-1	0	287.319	2.571	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)cc1	ZINC000119682107	651299596	/nfs/dbraw/zinc/29/95/96/651299596.db2.gz	QSQTXFPXPPREAH-CYBMUJFWSA-N	-1	0	290.750	2.721	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)s1	ZINC000119856795	651301548	/nfs/dbraw/zinc/30/15/48/651301548.db2.gz	PZFJYXKAYHITES-LBPRGKRZSA-N	-1	0	290.388	2.692	20	30		CFEDRM
N#CCc1ncccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243514063	782249148	/nfs/dbraw/zinc/24/91/48/782249148.db2.gz	DHKCYQNEYYHSLX-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1cnccc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243512942	782248271	/nfs/dbraw/zinc/24/82/71/782248271.db2.gz	CIXIERBBEVMGHC-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(F)c2F)ccc1C#N	ZINC001243512595	782248309	/nfs/dbraw/zinc/24/83/09/782248309.db2.gz	ZOHVRNDYVZAQSI-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243512690	782248480	/nfs/dbraw/zinc/24/84/80/782248480.db2.gz	YKCPEXKOOFWHPE-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1nccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236143506	778715379	/nfs/dbraw/zinc/71/53/79/778715379.db2.gz	OXHMQMQQKXQULF-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882106	781877073	/nfs/dbraw/zinc/87/70/73/781877073.db2.gz	DLHFURXUZCXYDJ-SNVBAGLBSA-N	-1	0	260.268	2.655	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000693002596	770069394	/nfs/dbraw/zinc/06/93/94/770069394.db2.gz	YBECRYOSNIYQAB-GVJMRKKJSA-N	-1	0	284.237	2.852	20	30		CFEDRM
N#Cc1cc(Nc2cnc(C(F)(F)F)nc2)c([O-])cc1F	ZINC001210675047	770349553	/nfs/dbraw/zinc/34/95/53/770349553.db2.gz	YIKDTGXQPMXUBG-UHFFFAOYSA-N	-1	0	298.199	2.955	20	30		CFEDRM
C=C1CCN(c2ncnc3sc(C(=O)[O-])c(C)c32)CC1	ZINC000382603913	770357831	/nfs/dbraw/zinc/35/78/31/770357831.db2.gz	ULSMSECWFRXLDR-UHFFFAOYSA-N	-1	0	289.360	2.854	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cn1	ZINC000588480286	770806307	/nfs/dbraw/zinc/80/63/07/770806307.db2.gz	PCNVKVBIHMQNIJ-RQOWECAXSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1cc(Nc2nc(C)c(C#N)cc2C#N)cc(C(=O)[O-])c1	ZINC001211537355	770853178	/nfs/dbraw/zinc/85/31/78/770853178.db2.gz	FYTPPNPKZXDIAK-UHFFFAOYSA-N	-1	0	292.298	2.884	20	30		CFEDRM
Cc1cc(Nc2ccc(C#N)nc2)cc(C(=O)[O-])c1	ZINC001211537745	770857148	/nfs/dbraw/zinc/85/71/48/770857148.db2.gz	ZEUMYPOYWCYAQD-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1	ZINC000724456198	770887991	/nfs/dbraw/zinc/88/79/91/770887991.db2.gz	KAZUUWCSIXEAHJ-KBPBESRZSA-N	-1	0	279.380	2.740	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc([O-])c(F)c1	ZINC000588523889	770930352	/nfs/dbraw/zinc/93/03/52/770930352.db2.gz	FJNHQVMLDFKELM-RJRFIUFISA-N	-1	0	261.227	2.962	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000588535227	770951135	/nfs/dbraw/zinc/95/11/35/770951135.db2.gz	WUCGFCPIKNGOMI-HYXAFXHYSA-N	-1	0	280.686	2.814	20	30		CFEDRM
C#Cc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cn1	ZINC001211599897	775174429	/nfs/dbraw/zinc/17/44/29/775174429.db2.gz	ZKZQQRTXROKLBR-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
CCCCCCCCCCOC(=O)[C@H](O)CC(=O)[O-]	ZINC001224580890	775224558	/nfs/dbraw/zinc/22/45/58/775224558.db2.gz	FTZLXYYOBKSMSV-GFCCVEGCSA-N	-1	0	274.357	2.506	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cnccc1C#N	ZINC001211616349	775252045	/nfs/dbraw/zinc/25/20/45/775252045.db2.gz	IQMXEFKDLSOZID-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])cc2C)cn1	ZINC001211620905	775279979	/nfs/dbraw/zinc/27/99/79/775279979.db2.gz	MTLPRBDECKUXHS-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C=CC[C@@H](C=C)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224901898	775304144	/nfs/dbraw/zinc/30/41/44/775304144.db2.gz	FPEZILDFRMLVQP-CYBMUJFWSA-N	-1	0	282.361	2.623	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225561083	775500743	/nfs/dbraw/zinc/50/07/43/775500743.db2.gz	XNPKHLLFPAKXDS-VIFPVBQESA-N	-1	0	254.717	2.797	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518261	775489505	/nfs/dbraw/zinc/48/95/05/775489505.db2.gz	WAPVFZQERCLUJB-NSHDSACASA-N	-1	0	268.334	2.504	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccnc1Cl	ZINC001226012735	775668127	/nfs/dbraw/zinc/66/81/27/775668127.db2.gz	DDZCFTJQUJGEDN-ZETCQYMHSA-N	-1	0	293.685	2.986	20	30		CFEDRM
CCC1=C(Oc2cccc([S-])c2)C(=O)[C@@H](C)O1	ZINC001226017452	775669478	/nfs/dbraw/zinc/66/94/78/775669478.db2.gz	ZFMUHFJGNMACFW-MRVPVSSYSA-N	-1	0	250.319	2.964	20	30		CFEDRM
[O-]/N=C/c1cccc(O[C@@H]2CC(F)(F)C2(F)F)c1	ZINC001226117108	775705675	/nfs/dbraw/zinc/70/56/75/775705675.db2.gz	YBNWOHAOSCRMAQ-JPEBENEDSA-N	-1	0	263.190	2.916	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C)cc(=O)[n-]2)O1	ZINC001226155889	775718484	/nfs/dbraw/zinc/71/84/84/775718484.db2.gz	HNLSFSSBZCNHIM-IAQYHMDHSA-N	-1	0	278.352	2.772	20	30		CFEDRM
CC(=O)[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226222813	775740595	/nfs/dbraw/zinc/74/05/95/775740595.db2.gz	HTLSAHZJELGBAL-HNNXBMFYSA-N	-1	0	282.299	2.676	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)Cc2ccccc2)c1C#N	ZINC001226222347	775741534	/nfs/dbraw/zinc/74/15/34/775741534.db2.gz	YHRMQHWDHMAZHW-GFCCVEGCSA-N	-1	0	268.316	2.977	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccncc2F)c1C#N	ZINC001226223807	775742894	/nfs/dbraw/zinc/74/28/94/775742894.db2.gz	UWTFMRGVEAWEIH-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)C#C[Si](C)(C)C)c1C#N	ZINC001226224061	775743281	/nfs/dbraw/zinc/74/32/81/775743281.db2.gz	ZMSUZMROYWIYDC-NSHDSACASA-N	-1	0	274.396	2.615	20	30		CFEDRM
CCC[C@H](C#Cc1ccccc1)Oc1nccc(=O)[n-]1	ZINC001226327047	775780841	/nfs/dbraw/zinc/78/08/41/775780841.db2.gz	PUUHRILHZMORGU-CQSZACIVSA-N	-1	0	268.316	2.781	20	30		CFEDRM
CN(C([O-])=Nc1nc2ccsc2s1)[C@H]1CCNC1=O	ZINC000328890888	775820094	/nfs/dbraw/zinc/82/00/94/775820094.db2.gz	SBRCPJBAODNGLM-ZETCQYMHSA-N	-1	0	296.377	2.564	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556360	775873347	/nfs/dbraw/zinc/87/33/47/775873347.db2.gz	LWJXXUJTJSMMTA-QMMMGPOBSA-N	-1	0	277.711	2.565	20	30		CFEDRM
C=C[C@@H](CCC)Oc1n[n-]c(=O)cc1Br	ZINC001226850831	775990355	/nfs/dbraw/zinc/99/03/55/775990355.db2.gz	WZAVIYXIFOUNNF-ZETCQYMHSA-N	-1	0	273.130	2.678	20	30		CFEDRM
CCC[C@H](C#Cc1ccccc1)Oc1cnc[nH]c1=O	ZINC001227050655	776074432	/nfs/dbraw/zinc/07/44/32/776074432.db2.gz	CNHNROPRFAMOFB-CQSZACIVSA-N	-1	0	268.316	2.781	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1C#N	ZINC001227275225	776167849	/nfs/dbraw/zinc/16/78/49/776167849.db2.gz	WKKDYQIUIQTABK-SECBINFHSA-N	-1	0	280.287	2.675	20	30		CFEDRM
C=CC[C@@H](C)Oc1ccc(S(=O)(=O)[O-])c2cccnc12	ZINC001227435128	776204094	/nfs/dbraw/zinc/20/40/94/776204094.db2.gz	RNPXFLZYTQSYEL-SNVBAGLBSA-N	-1	0	293.344	2.825	20	30		CFEDRM
C=CCC(CC=C)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227624576	776248226	/nfs/dbraw/zinc/24/82/26/776248226.db2.gz	AZOYIJWIFBAQJQ-UHFFFAOYSA-N	-1	0	297.336	2.712	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(=O)[n-]c2c1COC2	ZINC001227686685	776257281	/nfs/dbraw/zinc/25/72/81/776257281.db2.gz	UWWPHURYZOJURZ-COPLHBTASA-N	-1	0	290.363	2.972	20	30		CFEDRM
C#C[C@@H](Oc1nc(=O)[n-]c2c1COC2)[C@H](CC)CCCC	ZINC001227690660	776258925	/nfs/dbraw/zinc/25/89/25/776258925.db2.gz	NRHKVYYORYRNNP-BXUZGUMPSA-N	-1	0	290.363	2.809	20	30		CFEDRM
C=CC[C@@H](Oc1c[n-]c(C(=O)OC)cc1=O)c1ccccc1	ZINC001227785535	776288844	/nfs/dbraw/zinc/28/88/44/776288844.db2.gz	IBOAUOMIZPRLQX-OAHLLOKOSA-N	-1	0	299.326	2.858	20	30		CFEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)C(=C)C	ZINC001227807717	776297175	/nfs/dbraw/zinc/29/71/75/776297175.db2.gz	BBAWDXRCZWBFCF-NSHDSACASA-N	-1	0	259.309	2.953	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1	ZINC000125596673	776370608	/nfs/dbraw/zinc/37/06/08/776370608.db2.gz	ZUMJRLISZTVIJT-OAHLLOKOSA-N	-1	0	297.358	2.577	20	30		CFEDRM
C#CC(C#C)Oc1cc(O)ccc1C(=O)c1ccccc1	ZINC001228185936	776417801	/nfs/dbraw/zinc/41/78/01/776417801.db2.gz	MGUIWDJKKCWNHB-UHFFFAOYSA-N	-1	0	276.291	2.637	20	30		CFEDRM
C=CCONC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC001228437603	776491934	/nfs/dbraw/zinc/49/19/34/776491934.db2.gz	PYETZOWOHSFWJN-UHFFFAOYSA-N	-1	0	291.134	2.616	20	30		CFEDRM
Cc1cc(=O)oc2c1ccc(O)c2O[C@@H](C)CS	ZINC001228621511	776542612	/nfs/dbraw/zinc/54/26/12/776542612.db2.gz	BHKAQPRIEGKXFZ-QMMMGPOBSA-N	-1	0	266.318	2.504	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675533	776564119	/nfs/dbraw/zinc/56/41/19/776564119.db2.gz	VORDRODBKGIXRD-JTQLQIEISA-N	-1	0	276.340	2.583	20	30		CFEDRM
C[C@@H](COc1[n-]c(=O)ccc1C#N)Oc1ccccc1	ZINC001228901720	776651365	/nfs/dbraw/zinc/65/13/65/776651365.db2.gz	NRIXWVJLQDTMAN-NSHDSACASA-N	-1	0	270.288	2.505	20	30		CFEDRM
C[C@H](Oc1cc(C#N)ccc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001229186216	776746597	/nfs/dbraw/zinc/74/65/97/776746597.db2.gz	HTTOSBCQOBIAGL-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
C[C@H](Oc1ccc(O)c2c1C(=O)C=CC2=O)C1=CC=C[CH]1	ZINC001229407088	776803015	/nfs/dbraw/zinc/80/30/15/776803015.db2.gz	JJILORNILAXYLI-JTQLQIEISA-N	-1	0	281.287	2.795	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2c(C)cccc21	ZINC001229408569	776804470	/nfs/dbraw/zinc/80/44/70/776804470.db2.gz	WNYXNIGTKROBRH-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229408985	776805140	/nfs/dbraw/zinc/80/51/40/776805140.db2.gz	ZAIJMPQGBISGQH-AAEUAGOBSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C=CCCCCCC[C@@H](C)Oc1ncnc(=O)[n-]1	ZINC001229609722	776856663	/nfs/dbraw/zinc/85/66/63/776856663.db2.gz	LEBIJNZWXHANAB-LLVKDONJSA-N	-1	0	251.330	2.871	20	30		CFEDRM
C=C[C@H](C)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229795213	776894475	/nfs/dbraw/zinc/89/44/75/776894475.db2.gz	GOXJDFHZZFPAHQ-ZETCQYMHSA-N	-1	0	285.325	2.546	20	30		CFEDRM
C[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1C#N	ZINC001230016795	776939643	/nfs/dbraw/zinc/93/96/43/776939643.db2.gz	IDFZORXVMPKOAY-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C#C[C@@H](Oc1nc(Cl)[n-]c(=O)n1)[C@@H](CC)CCCC	ZINC001230242130	776964546	/nfs/dbraw/zinc/96/45/46/776964546.db2.gz	YYLJZAIUKLJZCE-VHSXEESVSA-N	-1	0	283.759	2.828	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861715	777076541	/nfs/dbraw/zinc/07/65/41/777076541.db2.gz	GDULCNWHPBDOFN-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C[C@@H](CS)Oc1nc(=O)[nH]cc1-c1ccccc1	ZINC001230971306	777105902	/nfs/dbraw/zinc/10/59/02/777105902.db2.gz	GBIPNTVNYCIPRE-VIFPVBQESA-N	-1	0	262.334	2.546	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231072630	777133335	/nfs/dbraw/zinc/13/33/35/777133335.db2.gz	CXUNRKDMTMQXFK-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1cccc(-c2nn[nH]n2)c1	ZINC001231119023	777146595	/nfs/dbraw/zinc/14/65/95/777146595.db2.gz	YACCUCOGWOBSOO-ZDUSSCGKSA-N	-1	0	270.336	2.828	20	30		CFEDRM
CC#CC[C@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231224777	777174598	/nfs/dbraw/zinc/17/45/98/777174598.db2.gz	QUKXECGHQYLHGM-VIFPVBQESA-N	-1	0	294.263	2.779	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265051	777180923	/nfs/dbraw/zinc/18/09/23/777180923.db2.gz	VZBSMWWELQZMCM-JTQLQIEISA-N	-1	0	264.281	2.575	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347454	777197162	/nfs/dbraw/zinc/19/71/62/777197162.db2.gz	LPSQNIPNWUAMSG-JTQLQIEISA-N	-1	0	272.304	2.854	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347737	777198187	/nfs/dbraw/zinc/19/81/87/777198187.db2.gz	QMBLNFGNMDFJMQ-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
N#CCN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1	ZINC001231464735	777228004	/nfs/dbraw/zinc/22/80/04/777228004.db2.gz	QBNZWHAGACIKDS-UHFFFAOYSA-N	-1	0	286.356	2.972	20	30		CFEDRM
C=C[C@H](CCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008025	777375797	/nfs/dbraw/zinc/37/57/97/777375797.db2.gz	CQVJXNMIYUEXJD-SNVBAGLBSA-N	-1	0	250.273	2.922	20	30		CFEDRM
CC[C@H](C)CC[C@H](C)Oc1nccc(/C=N/O)n1	ZINC001226257002	777490257	/nfs/dbraw/zinc/49/02/57/777490257.db2.gz	XPYIEGDLSYWHRM-BVLLQVSASA-N	-1	0	251.330	2.878	20	30		CFEDRM
CCCCCCCCC[C@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226607878	777586564	/nfs/dbraw/zinc/58/65/64/777586564.db2.gz	UEHIPDUZUKRMNS-NSHDSACASA-N	-1	0	268.353	2.896	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(F)c([O-])c(Br)c1	ZINC001232630805	777625811	/nfs/dbraw/zinc/62/58/11/777625811.db2.gz	YBCBXBLGFVABCJ-VIFPVBQESA-N	-1	0	299.143	2.782	20	30		CFEDRM
CCCCC[NH+]1CCN(Cc2cc(C#N)ccc2[O-])CC1	ZINC001232679427	777640444	/nfs/dbraw/zinc/64/04/44/777640444.db2.gz	KHQNTSPRGUPTNC-UHFFFAOYSA-N	-1	0	287.407	2.572	20	30		CFEDRM
C#C[C@H](CCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848472	777672007	/nfs/dbraw/zinc/67/20/07/777672007.db2.gz	CWJGFWNNBQIDNG-MRVPVSSYSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227609102	777858592	/nfs/dbraw/zinc/85/85/92/777858592.db2.gz	FONTUJNAZJSRPL-MRVPVSSYSA-N	-1	0	265.338	2.916	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccs1	ZINC000127235992	777937628	/nfs/dbraw/zinc/93/76/28/777937628.db2.gz	ZDPOIGCHJGCGFG-NSHDSACASA-N	-1	0	276.361	2.519	20	30		CFEDRM
N#C[C@H](Oc1ccc2c(c1)C(=O)CO2)c1ccccc1	ZINC001233678088	778035513	/nfs/dbraw/zinc/03/55/13/778035513.db2.gz	SJNSOXWWJUVKNR-INIZCTEOSA-N	-1	0	265.268	2.905	20	30		CFEDRM
C=C[C@H](Oc1ccc2[n-]c(=S)sc2c1)C(=O)OC	ZINC001234423728	778223324	/nfs/dbraw/zinc/22/33/24/778223324.db2.gz	FWZWCJCZYLYOSE-VIFPVBQESA-N	-1	0	281.358	2.691	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529210	778245143	/nfs/dbraw/zinc/24/51/43/778245143.db2.gz	CTVYFSMRXGFMQJ-SNVBAGLBSA-N	-1	0	255.277	2.550	20	30		CFEDRM
N#Cc1cccc(N)c1Nc1ccc(O)c(F)c1F	ZINC001212013698	778327176	/nfs/dbraw/zinc/32/71/76/778327176.db2.gz	FLROZAGEQKSQIB-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
N#CCc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235150285	778397467	/nfs/dbraw/zinc/39/74/67/778397467.db2.gz	UOPYRAVRDATLDJ-ZZXKWVIFSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#CCOc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1	ZINC001235269458	778440586	/nfs/dbraw/zinc/44/05/86/778440586.db2.gz	LAICLGDPLCJFPB-FPYGCLRLSA-N	-1	0	280.283	2.749	20	30		CFEDRM
N#CC1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1	ZINC001142643193	778542838	/nfs/dbraw/zinc/54/28/38/778542838.db2.gz	KMQNAOXTXDLBBW-UHFFFAOYSA-N	-1	0	278.739	2.774	20	30		CFEDRM
N#CCc1cccnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235987545	778641842	/nfs/dbraw/zinc/64/18/42/778641842.db2.gz	XKXAZHRSPKKKSU-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1cnc(-c2c(F)cc(F)c([O-])c2F)c(F)c1	ZINC001235991506	778643871	/nfs/dbraw/zinc/64/38/71/778643871.db2.gz	VAJGMVDNPOCZEA-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
COc1ccc(C#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235999746	778649841	/nfs/dbraw/zinc/64/98/41/778649841.db2.gz	AGHCWQQLUDBVPR-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])cc3)c12	ZINC001236062027	778674947	/nfs/dbraw/zinc/67/49/47/778674947.db2.gz	XDOWIUHUHJJGLU-UHFFFAOYSA-N	-1	0	263.256	2.751	20	30		CFEDRM
Cc1c(Cl)c(-c2nccnc2C#N)ccc1C(=O)[O-]	ZINC001236107432	778697611	/nfs/dbraw/zinc/69/76/11/778697611.db2.gz	AFKCEHRVGGAMIA-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1ccnc(-c2c(F)ccc(C)c2[O-])c1C#N	ZINC001236391482	778799030	/nfs/dbraw/zinc/79/90/30/778799030.db2.gz	JFRPBYVJGSFZNQ-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
Cc1cc(Br)c(O)c(CN(C)[C@H](C)C#N)c1	ZINC001236668436	778908238	/nfs/dbraw/zinc/90/82/38/778908238.db2.gz	BBFDFOXJTRHAQH-SECBINFHSA-N	-1	0	283.169	2.807	20	30		CFEDRM
N#CC1CCN(Cc2ccc(Br)c(O)c2)CC1	ZINC001236691597	778911071	/nfs/dbraw/zinc/91/10/71/778911071.db2.gz	IIJVOCIKYWPZAF-UHFFFAOYSA-N	-1	0	295.180	2.890	20	30		CFEDRM
N#CC[C@@H]1CCCN(Cc2sc(=O)[nH]c2Cl)C1	ZINC001237150501	779023883	/nfs/dbraw/zinc/02/38/83/779023883.db2.gz	GPFMVVOPDIPRMT-QMMMGPOBSA-N	-1	0	271.773	2.628	20	30		CFEDRM
COc1cccc(OC)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176394873	779121653	/nfs/dbraw/zinc/12/16/53/779121653.db2.gz	BWYOCJPZXOEXAQ-UHFFFAOYSA-N	-1	0	298.298	2.533	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237524733	779125748	/nfs/dbraw/zinc/12/57/48/779125748.db2.gz	GYODVUNNUNAVJH-QMMMGPOBSA-N	-1	0	272.135	2.582	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798675	779180398	/nfs/dbraw/zinc/18/03/98/779180398.db2.gz	KUYQWLILISABDK-QMMMGPOBSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#CC1CCN(Cc2cc(F)c([O-])c(Cl)c2)CC1	ZINC001237990790	779222982	/nfs/dbraw/zinc/22/29/82/779222982.db2.gz	TWCGCCMBZZAIGZ-UHFFFAOYSA-N	-1	0	268.719	2.920	20	30		CFEDRM
Cc1cc(C#N)nc(N[C@@H](c2ccccn2)C(F)(F)F)n1	ZINC001168476056	779255589	/nfs/dbraw/zinc/25/55/89/779255589.db2.gz	BESGGYSUIIPKLZ-NSHDSACASA-N	-1	0	293.252	2.767	20	30		CFEDRM
N#Cc1ccnc(-c2c(F)cc(F)c([O-])c2F)c1F	ZINC001235987021	779421320	/nfs/dbraw/zinc/42/13/20/779421320.db2.gz	YLVKZFXYFLTAFJ-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1F)CCOC2	ZINC001239254682	779485774	/nfs/dbraw/zinc/48/57/74/779485774.db2.gz	QDEIGUQMADIGNM-UHFFFAOYSA-N	-1	0	298.273	2.530	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239267676	779494643	/nfs/dbraw/zinc/49/46/43/779494643.db2.gz	WRWRCUXTYUYMPI-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
O=C([O-])c1ccc(-c2ccccc2C=NO)c(F)c1	ZINC001239275030	779498715	/nfs/dbraw/zinc/49/87/15/779498715.db2.gz	KHADCMKYFKUZES-UHFFFAOYSA-N	-1	0	259.236	2.999	20	30		CFEDRM
Cc1cc(-c2ccc(C#N)c(F)c2)cnc1C(=O)[O-]	ZINC001240160881	779979303	/nfs/dbraw/zinc/97/93/03/779979303.db2.gz	PTNOXMAPABZHKK-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(-c2cccc(S(=O)(=O)[O-])n2)ccc1Cl	ZINC001240399050	780137667	/nfs/dbraw/zinc/13/76/67/780137667.db2.gz	AWLHZUWERGGKSE-UHFFFAOYSA-N	-1	0	294.719	2.520	20	30		CFEDRM
N#Cc1cnccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549745	780243874	/nfs/dbraw/zinc/24/38/74/780243874.db2.gz	VPMXBBZRKIPPSH-SNAWJCMRSA-N	-1	0	250.257	2.718	20	30		CFEDRM
N#CCc1ncccc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240551259	780245376	/nfs/dbraw/zinc/24/53/76/780245376.db2.gz	SALLVVORWDCIJB-VOTSOKGWSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cc(F)ccc1[O-])CCOC2	ZINC001240696136	780368035	/nfs/dbraw/zinc/36/80/35/780368035.db2.gz	CMGUWCNGXFBKPW-UHFFFAOYSA-N	-1	0	270.263	2.538	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C#N)ccc1C	ZINC001240733597	780401018	/nfs/dbraw/zinc/40/10/18/780401018.db2.gz	HFVIKOPPAKFOOH-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(/C=N/O)c1	ZINC001240736322	780403261	/nfs/dbraw/zinc/40/32/61/780403261.db2.gz	AFNRCIMERBXHCR-CXUHLZMHSA-N	-1	0	271.272	2.869	20	30		CFEDRM
COc1cc(-c2ccc(C)c(C#N)n2)ccc1C(=O)[O-]	ZINC001240741979	780407818	/nfs/dbraw/zinc/40/78/18/780407818.db2.gz	QORLPCMXFDOKMK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2ccnc3[nH]cc(C#N)c32)ccc1C(=O)[O-]	ZINC001240743552	780408746	/nfs/dbraw/zinc/40/87/46/780408746.db2.gz	OLMZCRAAAPEWCX-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
N#Cc1ccc(Nc2cc(F)cc(F)c2O)c(O)c1	ZINC001212489646	780409722	/nfs/dbraw/zinc/40/97/22/780409722.db2.gz	WRRRXXPYQQAHLV-UHFFFAOYSA-N	-1	0	262.215	2.991	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc([O-])c(F)c1)CCC2	ZINC001240785699	780440149	/nfs/dbraw/zinc/44/01/49/780440149.db2.gz	BPDHFJPNPLMLLM-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc([O-])c(F)c2)c(C#N)c1	ZINC001240785629	780440657	/nfs/dbraw/zinc/44/06/57/780440657.db2.gz	JZIMOQGKRNSFPP-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
N#CCc1cc(-c2ccc(CC(=O)[O-])cc2)ccc1C#N	ZINC001240973210	780561717	/nfs/dbraw/zinc/56/17/17/780561717.db2.gz	DKJIRJHRMCHSHE-UHFFFAOYSA-N	-1	0	276.295	2.918	20	30		CFEDRM
COc1nc(C)c(-c2ccc(CC(=O)[O-])cc2)c(C)c1C#N	ZINC001240973099	780561830	/nfs/dbraw/zinc/56/18/30/780561830.db2.gz	APLPVVNJOKSAJI-UHFFFAOYSA-N	-1	0	296.326	2.873	20	30		CFEDRM
Cc1nc(-c2ccc(CC(=O)[O-])cc2)ccc1CC#N	ZINC001240973949	780562801	/nfs/dbraw/zinc/56/28/01/780562801.db2.gz	FVXTWEFYEUWHTM-UHFFFAOYSA-N	-1	0	266.300	2.750	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1ccc(CC(=O)[O-])cc1	ZINC001240974217	780563074	/nfs/dbraw/zinc/56/30/74/780563074.db2.gz	JSTIOWTYPSCZNO-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
O=C([O-])Cc1ccc(-c2ccc(/C=N/O)c(F)c2)cc1	ZINC001240976764	780565159	/nfs/dbraw/zinc/56/51/59/780565159.db2.gz	WTVOVJFTYDOPPP-RQZCQDPDSA-N	-1	0	273.263	2.928	20	30		CFEDRM
COc1ccnc(-c2cc(C(=O)[O-])ccc2C)c1C#N	ZINC001240998803	780582828	/nfs/dbraw/zinc/58/28/28/780582828.db2.gz	CHOBLKZZFZABOB-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cccc(CC#N)n1	ZINC001240999902	780583622	/nfs/dbraw/zinc/58/36/22/780583622.db2.gz	VHMNIQQBYKKCRA-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
CCOC(=O)c1cnc(-c2ccc(C)cc2[O-])c(C#N)c1	ZINC001241038535	780608018	/nfs/dbraw/zinc/60/80/18/780608018.db2.gz	SIOJKAYVYLFPJO-UHFFFAOYSA-N	-1	0	282.299	2.811	20	30		CFEDRM
N#Cc1cccc(N)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212515545	780624971	/nfs/dbraw/zinc/62/49/71/780624971.db2.gz	BSHMOFCJRHTADZ-UHFFFAOYSA-N	-1	0	289.241	2.860	20	30		CFEDRM
N#Cc1cnc2ccc(-c3c(F)cc([O-])cc3F)cn12	ZINC001241123300	780652205	/nfs/dbraw/zinc/65/22/05/780652205.db2.gz	ZXQJXSWWLXIRDY-UHFFFAOYSA-N	-1	0	271.226	2.857	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(F)c(C(=O)[O-])c1)CCOC2	ZINC001241242316	780726515	/nfs/dbraw/zinc/72/65/15/780726515.db2.gz	FMFOBHPBGYVURP-UHFFFAOYSA-N	-1	0	298.273	2.530	20	30		CFEDRM
COc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1CC#N	ZINC001241244878	780728806	/nfs/dbraw/zinc/72/88/06/780728806.db2.gz	GIMOJIRPJOJCSF-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
Cc1ncc(C#N)c(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241344962	780799155	/nfs/dbraw/zinc/79/91/55/780799155.db2.gz	AJRXJGPZOYFALJ-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001241346179	780799871	/nfs/dbraw/zinc/79/98/71/780799871.db2.gz	ZLNLYTWOIBBKFZ-UHFFFAOYSA-N	-1	0	283.674	2.844	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000703741690	781053777	/nfs/dbraw/zinc/05/37/77/781053777.db2.gz	YNUBTFUWLAXUSZ-CHWSQXEVSA-N	-1	0	284.400	2.709	20	30		CFEDRM
N#Cc1nc(-c2cncc(C(=O)[O-])c2)ccc1C(F)(F)F	ZINC001241800472	781131763	/nfs/dbraw/zinc/13/17/63/781131763.db2.gz	WPBOITYFMJYEIS-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
COc1ccc(-c2cncc(C(=O)[O-])c2)c(CC#N)c1	ZINC001241802552	781134194	/nfs/dbraw/zinc/13/41/94/781134194.db2.gz	IONAGXCXOAMHBZ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#Cc1c(F)ccc(-c2cncc(C(=O)[O-])c2)c1F	ZINC001241802587	781134470	/nfs/dbraw/zinc/13/44/70/781134470.db2.gz	LUGDZKKMOHZDJM-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241827212	781145834	/nfs/dbraw/zinc/14/58/34/781145834.db2.gz	CNZHTAXVUCVERH-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncc(F)cc1C#N	ZINC001242204005	781324562	/nfs/dbraw/zinc/32/45/62/781324562.db2.gz	FIBAXGRLNHDYIY-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc(F)cc2[O-])n1	ZINC001242216568	781332617	/nfs/dbraw/zinc/33/26/17/781332617.db2.gz	VPEVXHSQFLGDEY-UHFFFAOYSA-N	-1	0	275.308	2.890	20	30		CFEDRM
Cc1ccc(C#N)c(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242259967	781346475	/nfs/dbraw/zinc/34/64/75/781346475.db2.gz	KRUOENAAZNLXIX-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1ccc2ncc(-c3cccc(CC(=O)[O-])c3)nc2c1	ZINC001242262969	781347915	/nfs/dbraw/zinc/34/79/15/781347915.db2.gz	YEQVAKBYOSTKQV-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
COc1cccc(-c2cccc(CC(=O)[O-])c2)c1C#N	ZINC001242264060	781349338	/nfs/dbraw/zinc/34/93/38/781349338.db2.gz	VHGWYSONIHWRCG-UHFFFAOYSA-N	-1	0	267.284	2.861	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)[O-])nc2)n1	ZINC001242332931	781404041	/nfs/dbraw/zinc/40/40/41/781404041.db2.gz	DJPJWQNWVWTXPX-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])nc1)CCCC2	ZINC001242334078	781404954	/nfs/dbraw/zinc/40/49/54/781404954.db2.gz	KXGKIZIPPJLZAG-UHFFFAOYSA-N	-1	0	279.299	2.592	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2cccc(F)c2[O-])n1	ZINC001242349402	781421068	/nfs/dbraw/zinc/42/10/68/781421068.db2.gz	KEBRMYGVOZUSKN-UHFFFAOYSA-N	-1	0	275.308	2.890	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cccc(F)c2[O-])n1	ZINC001242349763	781421790	/nfs/dbraw/zinc/42/17/90/781421790.db2.gz	REDFLYMDZWCYCD-UHFFFAOYSA-N	-1	0	261.281	2.582	20	30		CFEDRM
N#Cc1cnc(-c2cccc(C(=O)[O-])c2F)c(F)c1	ZINC001242376056	781444482	/nfs/dbraw/zinc/44/44/82/781444482.db2.gz	BYZOCHIVRZXZBO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ccnc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242376113	781445559	/nfs/dbraw/zinc/44/55/59/781445559.db2.gz	GENRNTZDOJSEFQ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)c(C)cn1	ZINC001242389778	781459300	/nfs/dbraw/zinc/45/93/00/781459300.db2.gz	KNEZGDIQXHEVKH-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1cccc([S-])c1	ZINC001242864389	781808095	/nfs/dbraw/zinc/80/80/95/781808095.db2.gz	KELFDHWFAVPEOC-UHFFFAOYSA-N	-1	0	270.357	2.953	20	30		CFEDRM
COC(=O)c1cc(C#N)cnc1-c1cccc([S-])c1	ZINC001242863750	781808761	/nfs/dbraw/zinc/80/87/61/781808761.db2.gz	IFCQITONUIVNEZ-UHFFFAOYSA-N	-1	0	270.313	2.696	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccccc1C(=O)[O-]	ZINC001242876206	781815232	/nfs/dbraw/zinc/81/52/32/781815232.db2.gz	BDMDVKPQUCIQQU-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccccc1C(=O)[O-]	ZINC001242878835	781817758	/nfs/dbraw/zinc/81/77/58/781817758.db2.gz	ZNCYJJRVGWZZRP-UHFFFAOYSA-N	-1	0	263.256	2.751	20	30		CFEDRM
Cc1nc(NC[C@@H](C(=O)[O-])C2CCC2)c(Cl)cc1C#N	ZINC000595976850	349773545	/nfs/dbraw/zinc/77/35/45/349773545.db2.gz	BKSOZELKTHRZRC-LLVKDONJSA-N	-1	0	293.754	2.828	20	30		CFEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1c1cc(C#N)nc2ccccc21	ZINC000595972464	349773834	/nfs/dbraw/zinc/77/38/34/349773834.db2.gz	CIDQDBLZSDZBJK-RYUDHWBXSA-N	-1	0	295.342	2.796	20	30		CFEDRM
Cc1nsc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C#N	ZINC000595973156	349773981	/nfs/dbraw/zinc/77/39/81/349773981.db2.gz	RTRGYUBQMALQEB-ZDUSSCGKSA-N	-1	0	299.355	2.512	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)o1	ZINC000072678707	346935717	/nfs/dbraw/zinc/93/57/17/346935717.db2.gz	HXJDNNZMZAWZBK-CYBMUJFWSA-N	-1	0	298.346	2.704	20	30		CFEDRM
N#Cc1nc(NCCCC2CCOCC2)sc1Cl	ZINC000596254743	349841806	/nfs/dbraw/zinc/84/18/06/349841806.db2.gz	FIOKYJUUKJAFHF-UHFFFAOYSA-N	-1	0	285.800	2.709	20	30		CFEDRM
CO[C@@](C)([C@H](C)N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596271826	349849203	/nfs/dbraw/zinc/84/92/03/349849203.db2.gz	CPEVGRUEPOKDEF-MADCSZMMSA-N	-1	0	285.800	2.706	20	30		CFEDRM
CC[C@@H](COCC1CC1)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596325576	349864001	/nfs/dbraw/zinc/86/40/01/349864001.db2.gz	BDRXZYFZTVRGKC-VIFPVBQESA-N	-1	0	285.800	2.707	20	30		CFEDRM
N#CC(=C([O-])c1ccoc1)c1nc2ccccc2o1	ZINC000041543071	346352488	/nfs/dbraw/zinc/35/24/88/346352488.db2.gz	YHLDZQMJMFYXAJ-JTQLQIEISA-N	-1	0	252.229	2.911	20	30		CFEDRM
N#CC1(C(=O)[N-]OCc2ccccc2)CCCCC1	ZINC000057429805	346628176	/nfs/dbraw/zinc/62/81/76/346628176.db2.gz	YLNBHARMOKDWNT-UHFFFAOYSA-N	-1	0	258.321	2.708	20	30		CFEDRM
N#Cc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1F	ZINC000076992603	347163814	/nfs/dbraw/zinc/16/38/14/347163814.db2.gz	TWGRVZHGGWFSAV-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
CC(C)C[C@H](CNc1cc(C#N)ccn1)CC(=O)[O-]	ZINC000088274124	347500686	/nfs/dbraw/zinc/50/06/86/347500686.db2.gz	KRVUIVQWVJCHFB-LBPRGKRZSA-N	-1	0	261.325	2.502	20	30		CFEDRM
O=C(NO)c1csc(-c2cc3ccccc3o2)n1	ZINC000671995031	539570041	/nfs/dbraw/zinc/57/00/41/539570041.db2.gz	GWNWBGWRMDHADX-UHFFFAOYSA-N	-1	0	260.274	2.675	20	30		CFEDRM
CC(C)C[C@H](CNc1cccnc1C#N)CC(=O)[O-]	ZINC000129772646	347864416	/nfs/dbraw/zinc/86/44/16/347864416.db2.gz	MCDOCURFJWGGDW-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
Cc1ccnc(NC[C@H](CC(=O)[O-])CC(C)C)c1C#N	ZINC000135050471	347903437	/nfs/dbraw/zinc/90/34/37/347903437.db2.gz	MSJPQBOZKOUYJX-LBPRGKRZSA-N	-1	0	275.352	2.811	20	30		CFEDRM
N#Cc1cc(NCC2(C(=O)[O-])CCC2)nc2ccccc12	ZINC000166686873	348043266	/nfs/dbraw/zinc/04/32/66/348043266.db2.gz	NVAZBMNUKSAHPW-UHFFFAOYSA-N	-1	0	281.315	2.773	20	30		CFEDRM
Cc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1	ZINC000190899011	348136450	/nfs/dbraw/zinc/13/64/50/348136450.db2.gz	AAAKSIPUOBHAEP-ZDUSSCGKSA-N	-1	0	288.310	2.823	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(CO)c2)c1	ZINC000254486021	348301790	/nfs/dbraw/zinc/30/17/90/348301790.db2.gz	QWDLCXNDQXFPMT-UHFFFAOYSA-N	-1	0	272.260	2.543	20	30		CFEDRM
C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000311567904	348413523	/nfs/dbraw/zinc/41/35/23/348413523.db2.gz	QCHYUHGRJMWXAH-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1cc(C(=O)Nc2c(O)cccc2F)ccc1F	ZINC000586801845	348754494	/nfs/dbraw/zinc/75/44/94/348754494.db2.gz	ROLYEHRTUCRBDK-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000592418901	349117680	/nfs/dbraw/zinc/11/76/80/349117680.db2.gz	DEWKKPQITMEYCT-UHFFFAOYSA-N	-1	0	295.342	2.798	20	30		CFEDRM
CC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC=CC1	ZINC000594475860	349427509	/nfs/dbraw/zinc/42/75/09/349427509.db2.gz	YDUJTCGHWNCFSL-UHFFFAOYSA-N	-1	0	296.779	2.599	20	30		CFEDRM
N#CC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000597904027	350153434	/nfs/dbraw/zinc/15/34/34/350153434.db2.gz	CODBBOAAQRKSCV-SECBINFHSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H](C)C#N	ZINC000598361327	350249478	/nfs/dbraw/zinc/24/94/78/350249478.db2.gz	GZQGLKHJLVSEFJ-SSDOTTSWSA-N	-1	0	270.691	2.559	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000598421167	350266883	/nfs/dbraw/zinc/26/68/83/350266883.db2.gz	CYQDXYYZSKPLQS-PHIMTYICSA-N	-1	0	288.303	2.624	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000600164964	350526639	/nfs/dbraw/zinc/52/66/39/350526639.db2.gz	MDZDMVCOHUNJEL-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1C#N	ZINC000600826459	350617604	/nfs/dbraw/zinc/61/76/04/350617604.db2.gz	NVXWNUJTKLWICL-ZIAGYGMSSA-N	-1	0	294.358	2.534	20	30		CFEDRM
Cc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)cc1C#N	ZINC000600964555	350638455	/nfs/dbraw/zinc/63/84/55/350638455.db2.gz	CWDXBPAYBKPJCA-UHFFFAOYSA-N	-1	0	281.315	2.765	20	30		CFEDRM
N#Cc1cc(F)ccc1NCCCCCC(=O)[O-]	ZINC000111025700	186345665	/nfs/dbraw/zinc/34/56/65/186345665.db2.gz	BTKSNEJESJSCEE-UHFFFAOYSA-N	-1	0	250.273	2.754	20	30		CFEDRM
CCC[C@@H](CC1CCCC1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601641057	350752058	/nfs/dbraw/zinc/75/20/58/350752058.db2.gz	NAUXVGBYNIYWMA-LBPRGKRZSA-N	-1	0	274.368	2.638	20	30		CFEDRM
CC(C)Cc1cccc([C@@H](C)C(=O)N=c2[nH][n-]cc2C#N)c1	ZINC000601640155	350752307	/nfs/dbraw/zinc/75/23/07/350752307.db2.gz	WRKPQVZVQBEIPI-GFCCVEGCSA-N	-1	0	296.374	2.644	20	30		CFEDRM
Cc1[n-]n([C@@H](C)COc2ccccc2)c(=O)c1CCC#N	ZINC000601947203	350814647	/nfs/dbraw/zinc/81/46/47/350814647.db2.gz	SPMPDPRXDSIKMF-SWLSCSKDSA-N	-1	0	285.347	2.592	20	30		CFEDRM
CC[C@H](C)c1cc(=O)n(Cc2ccc(C#N)cc2)[n-]1	ZINC000601947919	350815315	/nfs/dbraw/zinc/81/53/15/350815315.db2.gz	UXYRNVCGEBWWIB-NSHDSACASA-N	-1	0	255.321	2.693	20	30		CFEDRM
CCCC[C@H](CC)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000601738218	350769581	/nfs/dbraw/zinc/76/95/81/350769581.db2.gz	PIRAYCQGEKILGZ-JTQLQIEISA-N	-1	0	274.368	2.736	20	30		CFEDRM
CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCC[C@@H]1C#N	ZINC000601815385	350783271	/nfs/dbraw/zinc/78/32/71/350783271.db2.gz	FHQPYTMQJSUXPC-XCBNKYQSSA-N	-1	0	298.264	2.574	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000601985666	350823048	/nfs/dbraw/zinc/82/30/48/350823048.db2.gz	BUBKCTVMZIRPIS-JSGCOSHPSA-N	-1	0	288.347	2.649	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601932924	350806306	/nfs/dbraw/zinc/80/63/06/350806306.db2.gz	VBPBUPRIBRKFCF-GWCFXTLKSA-N	-1	0	253.305	2.697	20	30		CFEDRM
C[C@@H](CC#N)n1[n-]c(-c2cccc(Cl)c2)cc1=O	ZINC000601935712	350807938	/nfs/dbraw/zinc/80/79/38/350807938.db2.gz	MDPKKFVYFNHBFE-VIFPVBQESA-N	-1	0	261.712	2.579	20	30		CFEDRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1CCC#N	ZINC000601942186	350811773	/nfs/dbraw/zinc/81/17/73/350811773.db2.gz	GZXNEHNYONLGLV-GFCCVEGCSA-N	-1	0	286.291	2.546	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1NCc1cccc(C#N)c1	ZINC000111310795	186394606	/nfs/dbraw/zinc/39/46/06/186394606.db2.gz	LMCFJTHKMGNHDR-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000601994685	350825126	/nfs/dbraw/zinc/82/51/26/350825126.db2.gz	ZBLHPSWVZIVKMN-ZBEGNZNMSA-N	-1	0	288.347	2.626	20	30		CFEDRM
C=CCSCCNC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000602005615	350828098	/nfs/dbraw/zinc/82/80/98/350828098.db2.gz	IAIOTCBVLOMHCD-AWEZNQCLSA-N	-1	0	287.425	2.549	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(C)cc(C#N)c1	ZINC000602004892	350828403	/nfs/dbraw/zinc/82/84/03/350828403.db2.gz	YMQWLPLHYDNNET-OAHLLOKOSA-N	-1	0	274.320	2.696	20	30		CFEDRM
COc1ccc(-c2n[n-]c(=NCC(C)(C)CC#N)o2)cc1	ZINC000603391109	351154790	/nfs/dbraw/zinc/15/47/90/351154790.db2.gz	BRIPLWSDLFUCQB-UHFFFAOYSA-N	-1	0	286.335	2.519	20	30		CFEDRM
CC(C)(C(=O)[N-]OC/C=C/Cl)c1cc(F)cc(C#N)c1	ZINC000291429402	198019238	/nfs/dbraw/zinc/01/92/38/198019238.db2.gz	ADRZZHFSWODQLY-ONEGZZNKSA-N	-1	0	296.729	2.775	20	30		CFEDRM
C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(C#N)c1	ZINC000611005974	351633686	/nfs/dbraw/zinc/63/36/86/351633686.db2.gz	OHIHNOASLJWEKQ-SNVBAGLBSA-N	-1	0	284.290	2.894	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2[O-])C1	ZINC000617781966	352644963	/nfs/dbraw/zinc/64/49/63/352644963.db2.gz	WGAIRNBJNRKQCZ-LLVKDONJSA-N	-1	0	263.312	2.960	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@@H]2N=c1[n-]nc(C(F)F)s1	ZINC000618693822	352862682	/nfs/dbraw/zinc/86/26/82/352862682.db2.gz	QBBFFJDRGWRTCB-JTQLQIEISA-N	-1	0	292.314	2.869	20	30		CFEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OC1CCCC1	ZINC000271643100	191255966	/nfs/dbraw/zinc/25/59/66/191255966.db2.gz	BJXOQVYBDYNGCK-UHFFFAOYSA-N	-1	0	288.347	2.706	20	30		CFEDRM
CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C	ZINC000619753827	353063676	/nfs/dbraw/zinc/06/36/76/353063676.db2.gz	RMPUARLLOCAVFU-SNVBAGLBSA-N	-1	0	294.314	2.614	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611358	353384148	/nfs/dbraw/zinc/38/41/48/353384148.db2.gz	AWGQQMYZRROGON-RKDXNWHRSA-N	-1	0	282.365	2.621	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ocnc2C(F)F)n1	ZINC000626283231	354244241	/nfs/dbraw/zinc/24/42/41/354244241.db2.gz	KXCBEQSIUFNXSG-LURJTMIESA-N	-1	0	283.259	2.867	20	30		CFEDRM
CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000626393012	354260722	/nfs/dbraw/zinc/26/07/22/354260722.db2.gz	OEZFWLPUFCMBBV-NSHDSACASA-N	-1	0	296.330	2.539	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000628490453	354606062	/nfs/dbraw/zinc/60/60/62/354606062.db2.gz	YOQGCOMUKCNFRE-VIFPVBQESA-N	-1	0	267.275	2.709	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000630215423	355029793	/nfs/dbraw/zinc/02/97/93/355029793.db2.gz	UYMGNKQGOXGFJF-UHFFFAOYSA-N	-1	0	276.336	2.563	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1	ZINC000630230665	355031075	/nfs/dbraw/zinc/03/10/75/355031075.db2.gz	OMKLZWFPTUJAOP-ZDUSSCGKSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000630234558	355031935	/nfs/dbraw/zinc/03/19/35/355031935.db2.gz	NIMBLNFGBSQNAC-GFCCVEGCSA-N	-1	0	273.332	2.731	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630248044	355033465	/nfs/dbraw/zinc/03/34/65/355033465.db2.gz	QPWAAIHRAZCYDJ-LRDDRELGSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000630280997	355037314	/nfs/dbraw/zinc/03/73/14/355037314.db2.gz	AYTLYKPMPSECIT-ILXRZTDVSA-N	-1	0	291.391	2.857	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000630297987	355045036	/nfs/dbraw/zinc/04/50/36/355045036.db2.gz	UHXHMLWLTYWRQB-MCIONIFRSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=CCCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000630297337	355045338	/nfs/dbraw/zinc/04/53/38/355045338.db2.gz	FIUZURIMFAUSJC-NSHDSACASA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000630317855	355049384	/nfs/dbraw/zinc/04/93/84/355049384.db2.gz	BRLSDANQCADRLD-AGIUHOORSA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCSc1ccccc1)C(=O)[O-]	ZINC000630317823	355049482	/nfs/dbraw/zinc/04/94/82/355049482.db2.gz	BCKQMNGIEWTSSD-CYBMUJFWSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000630317858	355049575	/nfs/dbraw/zinc/04/95/75/355049575.db2.gz	BRLSDANQCADRLD-RWMBFGLXSA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-]	ZINC000630320092	355049973	/nfs/dbraw/zinc/04/99/73/355049973.db2.gz	OUEUAQQMGOHNJF-HNNXBMFYSA-N	-1	0	285.343	2.795	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000630320515	355050728	/nfs/dbraw/zinc/05/07/28/355050728.db2.gz	YRBWFYFUKTXQQK-NSHDSACASA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000630320737	355050746	/nfs/dbraw/zinc/05/07/46/355050746.db2.gz	AUYVCELNWMHEER-OLZOCXBDSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630320746	355050947	/nfs/dbraw/zinc/05/09/47/355050947.db2.gz	BEZFMZFJXVTGEQ-DZGCQCFKSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630320747	355050992	/nfs/dbraw/zinc/05/09/92/355050992.db2.gz	BEZFMZFJXVTGEQ-HIFRSBDPSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630322742	355051550	/nfs/dbraw/zinc/05/15/50/355051550.db2.gz	VPFHCCRBNPBTEF-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000630323901	355051752	/nfs/dbraw/zinc/05/17/52/355051752.db2.gz	BLDKULKTYJAXIX-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000630327028	355053167	/nfs/dbraw/zinc/05/31/67/355053167.db2.gz	VGECDEYETLZWCG-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(F)c(C)c1)C(=O)[O-]	ZINC000630543750	355107625	/nfs/dbraw/zinc/10/76/25/355107625.db2.gz	CZSPIMNYWOZXIE-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccccc1C)C(=O)[O-]	ZINC000630548945	355108951	/nfs/dbraw/zinc/10/89/51/355108951.db2.gz	KUZMTJHRBWDKSC-GFCCVEGCSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000630483746	355092725	/nfs/dbraw/zinc/09/27/25/355092725.db2.gz	RZFRGMRQRFHYJW-NSHDSACASA-N	-1	0	296.392	2.775	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000630495667	355094887	/nfs/dbraw/zinc/09/48/87/355094887.db2.gz	RNDIPWNLOIEHMN-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)cc1	ZINC000630961441	355231649	/nfs/dbraw/zinc/23/16/49/355231649.db2.gz	XZRQIADBMHQWKC-FZMZJTMJSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=C1CC(C)(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)C1	ZINC000631138662	355311551	/nfs/dbraw/zinc/31/15/51/355311551.db2.gz	HINUAVZCCZAKJU-UHFFFAOYSA-N	-1	0	299.399	2.846	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1	ZINC000019485467	283185706	/nfs/dbraw/zinc/18/57/06/283185706.db2.gz	OQMPNDXWKIKDDG-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1	ZINC000683307469	540750578	/nfs/dbraw/zinc/75/05/78/540750578.db2.gz	KLSFHFCAQQRWOU-DOMZBBRYSA-N	-1	0	289.375	2.962	20	30		CFEDRM
N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1	ZINC000426797433	239264378	/nfs/dbraw/zinc/26/43/78/239264378.db2.gz	BHMBGIHQYDNBBP-CYBMUJFWSA-N	-1	0	272.329	2.535	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)cc1[O-]	ZINC000443132409	241041331	/nfs/dbraw/zinc/04/13/31/241041331.db2.gz	LZVKEQBPYADIFE-UHFFFAOYSA-N	-1	0	293.326	2.790	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000276232344	193252121	/nfs/dbraw/zinc/25/21/21/193252121.db2.gz	ZEMVGMUYAAJICP-HNNXBMFYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1	ZINC000048440726	373182719	/nfs/dbraw/zinc/18/27/19/373182719.db2.gz	RVTLPDKPVNQVGB-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)c2cc3ccccc3o2)c1C#N	ZINC000431686940	383690200	/nfs/dbraw/zinc/69/02/00/383690200.db2.gz	UUKSMVPUARTRHN-VIFPVBQESA-N	-1	0	294.314	2.500	20	30		CFEDRM
C[C@@H](Oc1cccc(/C=C\c2ccncc2C#N)c1)C(=O)[O-]	ZINC000349102473	296208769	/nfs/dbraw/zinc/20/87/69/296208769.db2.gz	APVQYITXHYIPCE-FOQNGQEVSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CCCC[C@H](Nc1cccc(F)c1C#N)C(=O)[O-]	ZINC000093396063	375228149	/nfs/dbraw/zinc/22/81/49/375228149.db2.gz	VPPNPLCVSVABSR-LBPRGKRZSA-N	-1	0	250.273	2.753	20	30		CFEDRM
CC(C)C[C@H](CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000094703575	375374648	/nfs/dbraw/zinc/37/46/48/375374648.db2.gz	LCTWLZDNBJLDNV-SNVBAGLBSA-N	-1	0	264.300	2.856	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCC[C@@H](C)C2)s[n-]1	ZINC000330492253	378570319	/nfs/dbraw/zinc/57/03/19/378570319.db2.gz	QHDIBGGHSMSDEA-NXEZZACHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
CCc1ncsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000160046773	378745066	/nfs/dbraw/zinc/74/50/66/378745066.db2.gz	UOBIUVQDPFHVHY-QMMMGPOBSA-N	-1	0	277.374	2.961	20	30		CFEDRM
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccsc1	ZINC000334435996	379296859	/nfs/dbraw/zinc/29/68/59/379296859.db2.gz	GHFGOTDQCFTLSA-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1	ZINC000334599148	379600422	/nfs/dbraw/zinc/60/04/22/379600422.db2.gz	LBPZWOGYCJGXLJ-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(Cl)c1	ZINC000335813556	379931655	/nfs/dbraw/zinc/93/16/55/379931655.db2.gz	ACEVKQFGKPXERU-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
N#CCCN(Cc1cccnc1)Cc1cc(F)ccc1O	ZINC000179874166	380590388	/nfs/dbraw/zinc/59/03/88/380590388.db2.gz	LVNMXNDVLSGGON-UHFFFAOYSA-N	-1	0	285.322	2.842	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2c[nH]c(C#N)c2)n1	ZINC000181773404	380891307	/nfs/dbraw/zinc/89/13/07/380891307.db2.gz	MVOVIEGNCMMVOS-LLVKDONJSA-N	-1	0	284.344	2.956	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000182646113	381127511	/nfs/dbraw/zinc/12/75/11/381127511.db2.gz	KPVZDMNLPDJHEP-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
N#Cc1ccc(NC(=O)NOCCC(F)(F)F)cc1F	ZINC000290215924	381344800	/nfs/dbraw/zinc/34/48/00/381344800.db2.gz	QIUUXNGUOLRFPT-UHFFFAOYSA-N	-1	0	291.204	2.703	20	30		CFEDRM
C=C[C@](C)(O)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000290344402	381392295	/nfs/dbraw/zinc/39/22/95/381392295.db2.gz	KQKYIIASHYPXIV-LBPRGKRZSA-N	-1	0	290.146	2.965	20	30		CFEDRM
N#Cc1csc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000359724177	381580458	/nfs/dbraw/zinc/58/04/58/381580458.db2.gz	XAKOCOBQUFJZEK-RQOWECAXSA-N	-1	0	281.296	2.755	20	30		CFEDRM
Cc1cccc([C@@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1	ZINC000359727886	381581811	/nfs/dbraw/zinc/58/18/11/381581811.db2.gz	VQJNWSBQUPQNLB-LLVKDONJSA-N	-1	0	294.358	2.631	20	30		CFEDRM
Cc1cccc([C@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1	ZINC000359727887	381581984	/nfs/dbraw/zinc/58/19/84/381581984.db2.gz	VQJNWSBQUPQNLB-NSHDSACASA-N	-1	0	294.358	2.631	20	30		CFEDRM
C[C@H](Oc1cccc(/C=C\c2ccncc2C#N)c1)C(=O)[O-]	ZINC000349102472	381822612	/nfs/dbraw/zinc/82/26/12/381822612.db2.gz	APVQYITXHYIPCE-FJOGCWAESA-N	-1	0	294.310	2.976	20	30		CFEDRM
C=CCC[C@H](C(=O)[N-]OCC(C)(C)O)c1ccccc1	ZINC000299120341	381830990	/nfs/dbraw/zinc/83/09/90/381830990.db2.gz	WVDMCPARXZDUKJ-AWEZNQCLSA-N	-1	0	277.364	2.555	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1	ZINC000361541763	381841902	/nfs/dbraw/zinc/84/19/02/381841902.db2.gz	SPMYOAHNDVWUHM-LBPRGKRZSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1ncncc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361541329	381842933	/nfs/dbraw/zinc/84/29/33/381842933.db2.gz	OFUZQIDXJZCYIX-CQSZACIVSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C=CCC1(C(=O)Nc2ncc(C(=O)OCC)[n-]2)CCCC1	ZINC000415632027	381864815	/nfs/dbraw/zinc/86/48/15/381864815.db2.gz	REZYSZZQKCFKGP-UHFFFAOYSA-N	-1	0	291.351	2.661	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000417790324	382069906	/nfs/dbraw/zinc/06/99/06/382069906.db2.gz	IJJURWARPIXCTH-CYBMUJFWSA-N	-1	0	288.347	2.744	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000000383768	169624932	/nfs/dbraw/zinc/62/49/32/169624932.db2.gz	OBVZOEPDGOQRTI-UHFFFAOYSA-N	-1	0	272.329	2.668	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000293560107	382175752	/nfs/dbraw/zinc/17/57/52/382175752.db2.gz	USMHNTXXJLBMPS-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000352022314	382134136	/nfs/dbraw/zinc/13/41/36/382134136.db2.gz	WTVGUTASNDIRQY-HWKANZROSA-N	-1	0	267.244	2.737	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1cccc(OCCC(=O)[O-])c1	ZINC000352022534	382136157	/nfs/dbraw/zinc/13/61/57/382136157.db2.gz	ZADJGTZLZSEZIB-SREVYHEPSA-N	-1	0	294.310	2.977	20	30		CFEDRM
C=CCN(C(=O)N=c1[n-]nc(CCCCC)s1)C1CC1	ZINC000357402682	382154720	/nfs/dbraw/zinc/15/47/20/382154720.db2.gz	MLTDNRNGKKHNSN-UHFFFAOYSA-N	-1	0	294.424	2.875	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1s[n-]c(=O)c1Cl	ZINC000293700214	382240564	/nfs/dbraw/zinc/24/05/64/382240564.db2.gz	DIROKMGVUXUHJG-UHFFFAOYSA-N	-1	0	274.773	2.834	20	30		CFEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1C	ZINC000345380440	382301591	/nfs/dbraw/zinc/30/15/91/382301591.db2.gz	RANNUKUZXZVMKB-LLVKDONJSA-N	-1	0	293.330	2.701	20	30		CFEDRM
COc1cc(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188274656	382381313	/nfs/dbraw/zinc/38/13/13/382381313.db2.gz	VFWSGSIHFOHDDH-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1C#N	ZINC000358003084	382404187	/nfs/dbraw/zinc/40/41/87/382404187.db2.gz	MGXFDCLALVCFOV-HYXAFXHYSA-N	-1	0	286.312	2.892	20	30		CFEDRM
O=C(NC1CCC(F)(F)CC1)c1cc(F)cc2n[nH]nc21	ZINC000328659610	382561646	/nfs/dbraw/zinc/56/16/46/382561646.db2.gz	TWDRWCLLLXOVSG-UHFFFAOYSA-N	-1	0	298.268	2.980	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000190549011	382673077	/nfs/dbraw/zinc/67/30/77/382673077.db2.gz	BJHJRKYXLPSTSB-UKRRQHHQSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1	ZINC000190576683	382673767	/nfs/dbraw/zinc/67/37/67/382673767.db2.gz	TZTPVZQONZIISI-CYBMUJFWSA-N	-1	0	287.359	2.860	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000192844592	382712886	/nfs/dbraw/zinc/71/28/86/382712886.db2.gz	BTIGRYYYZPLABD-LLVKDONJSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000192860351	382713127	/nfs/dbraw/zinc/71/31/27/382713127.db2.gz	XJEAHDNVJPZCRK-CYBMUJFWSA-N	-1	0	275.348	2.702	20	30		CFEDRM
CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(C#N)cc2)s[n-]1	ZINC000336833343	382727384	/nfs/dbraw/zinc/72/73/84/382727384.db2.gz	YFBGATVDSYEZBV-VHSXEESVSA-N	-1	0	288.376	2.712	20	30		CFEDRM
COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(C)n1	ZINC000337345776	382807208	/nfs/dbraw/zinc/80/72/08/382807208.db2.gz	LNRUCFINAQBXCY-LLVKDONJSA-N	-1	0	287.344	2.654	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2)cc1C#N	ZINC000576229837	382815435	/nfs/dbraw/zinc/81/54/35/382815435.db2.gz	DVGPGCQCFRSSJN-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
Cc1cc(N(C)C)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442618581	382939092	/nfs/dbraw/zinc/93/90/92/382939092.db2.gz	QZGDTBFSRQEKRX-UHFFFAOYSA-N	-1	0	295.342	2.891	20	30		CFEDRM
CCCCn1ncc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000442676073	382943710	/nfs/dbraw/zinc/94/37/10/382943710.db2.gz	IJANVUCQDMMSJH-UHFFFAOYSA-N	-1	0	298.346	2.821	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000541716917	382965603	/nfs/dbraw/zinc/96/56/03/382965603.db2.gz	XYANGYBONHLXNL-VIFPVBQESA-N	-1	0	295.220	2.887	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N([C@@H](CC)C(=O)[O-])C1CC1	ZINC000555843539	383148928	/nfs/dbraw/zinc/14/89/28/383148928.db2.gz	LIVAAPMRLDXXOA-AAEUAGOBSA-N	-1	0	282.384	2.768	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000562648521	383160999	/nfs/dbraw/zinc/16/09/99/383160999.db2.gz	RBVVXRJSVRMNJD-GHMZBOCLSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000248615271	383272018	/nfs/dbraw/zinc/27/20/18/383272018.db2.gz	ZEORQBNPAMDUHL-XQQFMLRXSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCN(C)C(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634914557	383402019	/nfs/dbraw/zinc/40/20/19/383402019.db2.gz	XQESIBUGGNUSOL-HNNXBMFYSA-N	-1	0	295.766	2.717	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634915714	383402584	/nfs/dbraw/zinc/40/25/84/383402584.db2.gz	DRFLLKHFCWILCR-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCC1	ZINC000634944781	383416142	/nfs/dbraw/zinc/41/61/42/383416142.db2.gz	DXAWWHFYMIIGSM-GFCCVEGCSA-N	-1	0	265.353	2.589	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1	ZINC000523529398	383356161	/nfs/dbraw/zinc/35/61/61/383356161.db2.gz	QKDRTRPAMRWRAL-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634941397	383413605	/nfs/dbraw/zinc/41/36/05/383413605.db2.gz	BFUJJMFNGBIYAA-UONOGXRCSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCNC(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634845827	383378332	/nfs/dbraw/zinc/37/83/32/383378332.db2.gz	SXXKJOWCEGMTSH-SECBINFHSA-N	-1	0	299.729	2.730	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634852222	383382113	/nfs/dbraw/zinc/38/21/13/383382113.db2.gz	QLADNOVZGMUENW-HNNXBMFYSA-N	-1	0	295.404	2.905	20	30		CFEDRM
C=C(C)CN(C)C(=O)N=c1[n-]nc(-c2ccccc2)s1	ZINC000481987493	383430468	/nfs/dbraw/zinc/43/04/68/383430468.db2.gz	XUJUIHQHRROVHN-UHFFFAOYSA-N	-1	0	288.376	2.667	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=N[C@H]2CC[C@@H](CC#N)C2)s1	ZINC000450677760	383481474	/nfs/dbraw/zinc/48/14/74/383481474.db2.gz	ZZNNLDMKBZVNTE-UWVGGRQHSA-N	-1	0	264.398	2.752	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cccc(OCC(=O)[O-])c2)nc1	ZINC000255162322	383477504	/nfs/dbraw/zinc/47/75/04/383477504.db2.gz	GNGLCWKLSUFBAX-XQRVVYSFSA-N	-1	0	280.283	2.587	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000634947105	383417550	/nfs/dbraw/zinc/41/75/50/383417550.db2.gz	HTWYVYYWXFEXMR-VXGBXAGGSA-N	-1	0	267.369	2.596	20	30		CFEDRM
CC(C)Cc1nc(=NCC(C)(C)CCC#N)s[n-]1	ZINC000340937339	383506892	/nfs/dbraw/zinc/50/68/92/383506892.db2.gz	KOJKMYSTJDRFOH-UHFFFAOYSA-N	-1	0	266.414	2.900	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000635530050	383578696	/nfs/dbraw/zinc/57/86/96/383578696.db2.gz	OAQMXJCUSKULAP-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1nnc2n1CCCCC2	ZINC000430522884	383594931	/nfs/dbraw/zinc/59/49/31/383594931.db2.gz	FLUDCKGVIKQIRK-GFCCVEGCSA-N	-1	0	298.346	2.650	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000262872150	383643079	/nfs/dbraw/zinc/64/30/79/383643079.db2.gz	JTEDFBDUGQFPHK-CYBMUJFWSA-N	-1	0	275.348	2.761	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC000262888539	383643571	/nfs/dbraw/zinc/64/35/71/383643571.db2.gz	LHTBTCOPIGMLDA-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000262953586	383647199	/nfs/dbraw/zinc/64/71/99/383647199.db2.gz	QWVCTZJGEZJTGM-LSDHHAIUSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000263027206	383649612	/nfs/dbraw/zinc/64/96/12/383649612.db2.gz	QQABLAJALQMYJI-HNNXBMFYSA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]nc(C(C)(C)C)s1	ZINC000435589087	383776466	/nfs/dbraw/zinc/77/64/66/383776466.db2.gz	PTGCBVNKURBNMK-QWRGUYRKSA-N	-1	0	281.425	2.651	20	30		CFEDRM
CC#CCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000436631427	383859825	/nfs/dbraw/zinc/85/98/25/383859825.db2.gz	UUDQNPXBHGWCBV-UHFFFAOYSA-N	-1	0	272.131	2.842	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1	ZINC000436981968	383900294	/nfs/dbraw/zinc/90/02/94/383900294.db2.gz	RZNJXXGYRNVNPK-MRVPVSSYSA-N	-1	0	296.729	2.949	20	30		CFEDRM
C=CCOc1cccc(NC(=O)C(=O)c2ccc(O)cc2)c1	ZINC000438914148	384029865	/nfs/dbraw/zinc/02/98/65/384029865.db2.gz	UCIZMTPXSFTJLP-UHFFFAOYSA-N	-1	0	297.310	2.778	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2cccc(C(=O)[O-])n2)c1	ZINC000439996727	384054932	/nfs/dbraw/zinc/05/49/32/384054932.db2.gz	PXCOQEZPBYDCNQ-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCCCCNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000574963852	384170080	/nfs/dbraw/zinc/17/00/80/384170080.db2.gz	WETHCSCNRFSJEM-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
CC(C)[C@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271311491	385378976	/nfs/dbraw/zinc/37/89/76/385378976.db2.gz	LYOUQPOKLSMMOK-OYDFKFITSA-N	-1	0	292.335	2.923	20	30		CFEDRM
C=CCOCCCC(=O)NCCCCCCCC(=O)[O-]	ZINC000271971690	385414715	/nfs/dbraw/zinc/41/47/15/385414715.db2.gz	RBEPCLFKNMYRSK-UHFFFAOYSA-N	-1	0	285.384	2.511	20	30		CFEDRM
CC(=Cc1ccc(F)c(C#N)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340505	533380548	/nfs/dbraw/zinc/38/05/48/533380548.db2.gz	IXLMMMYRFGLAAQ-UITAMQMPSA-N	-1	0	294.289	2.521	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000263104363	533534221	/nfs/dbraw/zinc/53/42/21/533534221.db2.gz	WELZWHYZZLKRPQ-WFASDCNBSA-N	-1	0	267.369	2.548	20	30		CFEDRM
CCC(CC)[C@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000341810444	130071909	/nfs/dbraw/zinc/07/19/09/130071909.db2.gz	OEUKAVSBNUOXMO-NSHDSACASA-N	-1	0	276.384	2.768	20	30		CFEDRM
C=CCOCCCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262051979	131187705	/nfs/dbraw/zinc/18/77/05/131187705.db2.gz	FSMCBJNTQSBPAI-KBPBESRZSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262495886	131226234	/nfs/dbraw/zinc/22/62/34/131226234.db2.gz	KANPXRKEBXSTMS-UHFFFAOYSA-N	-1	0	291.347	2.923	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000262531130	131230257	/nfs/dbraw/zinc/23/02/57/131230257.db2.gz	IJGDKUZMYLIFNK-JYJNAYRXSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000263020497	131279700	/nfs/dbraw/zinc/27/97/00/131279700.db2.gz	TXQZHCSWAZANRM-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1	ZINC000263444466	131293278	/nfs/dbraw/zinc/29/32/78/131293278.db2.gz	NBFRGESTCYDYOH-SUMWQHHRSA-N	-1	0	287.359	2.812	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CC2)n1)c1nc2ccccc2[nH]1	ZINC000683901837	542741871	/nfs/dbraw/zinc/74/18/71/542741871.db2.gz	GOYCIWPGSNQYIO-SNVBAGLBSA-N	-1	0	292.298	2.918	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1	ZINC000188646737	393565871	/nfs/dbraw/zinc/56/58/71/393565871.db2.gz	MMNJJXDXAPVRIX-NSHDSACASA-N	-1	0	285.303	2.952	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000193266567	393648093	/nfs/dbraw/zinc/64/80/93/393648093.db2.gz	AQLGVYOSQXOHOJ-NSHDSACASA-N	-1	0	294.314	2.668	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cocn2)s1	ZINC000684676629	542844235	/nfs/dbraw/zinc/84/42/35/542844235.db2.gz	YCNBBJCSUXBEOK-QMMMGPOBSA-N	-1	0	275.333	2.919	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1ncccc1C#N)C(=O)[O-]	ZINC000416436968	393919978	/nfs/dbraw/zinc/91/99/78/393919978.db2.gz	FQRYIXFWMXEPKI-NSHDSACASA-N	-1	0	261.325	2.645	20	30		CFEDRM
COc1ccc(NC(=O)C2(C#N)CCCCC2)c(O)c1	ZINC000135411908	394219764	/nfs/dbraw/zinc/21/97/64/394219764.db2.gz	QTGZYMAGWNOWAE-UHFFFAOYSA-N	-1	0	274.320	2.813	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1C#N	ZINC000137187978	394237914	/nfs/dbraw/zinc/23/79/14/394237914.db2.gz	YLCWFSJEXWPZOT-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000519708236	394375924	/nfs/dbraw/zinc/37/59/24/394375924.db2.gz	UIBHOXGXNRFABI-SDDRHHMPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc(C2CC2)cs1	ZINC000647380198	395320290	/nfs/dbraw/zinc/32/02/90/395320290.db2.gz	TZLMYETXIRGSBO-QMMMGPOBSA-N	-1	0	275.358	2.967	20	30		CFEDRM
Cc1cn(C)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379983	395320482	/nfs/dbraw/zinc/32/04/82/395320482.db2.gz	ASNQEXSMFMGKJQ-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000648345097	395544373	/nfs/dbraw/zinc/54/43/73/395544373.db2.gz	QYZMUNPLNKRXJK-UKRRQHHQSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC000653644549	413422938	/nfs/dbraw/zinc/42/29/38/413422938.db2.gz	URDHXDPFGWBMRG-LBPRGKRZSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCCCNC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000654810031	414003396	/nfs/dbraw/zinc/00/33/96/414003396.db2.gz	FXIAXFBBOWZRRE-UHFFFAOYSA-N	-1	0	290.363	2.639	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000655564881	414323425	/nfs/dbraw/zinc/32/34/25/414323425.db2.gz	UCEQCIVCIOTKMP-HIFRSBDPSA-N	-1	0	289.375	2.819	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000659166781	414459891	/nfs/dbraw/zinc/45/98/91/414459891.db2.gz	SNMIZMXUNOREFM-YPMHNXCESA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])oc2C)C1	ZINC000659170172	414461956	/nfs/dbraw/zinc/46/19/56/414461956.db2.gz	QNYBANVEYWXKLA-LLVKDONJSA-N	-1	0	277.320	2.715	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659244169	414476996	/nfs/dbraw/zinc/47/69/96/414476996.db2.gz	TWQYGVZHVHABBN-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCCCNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000655879235	414487248	/nfs/dbraw/zinc/48/72/48/414487248.db2.gz	LEVVEEGOXPZMOA-UHFFFAOYSA-N	-1	0	290.363	2.930	20	30		CFEDRM
C=CCC1(NC(=O)NC2CCC(C(=O)[O-])CC2)CCCC1	ZINC000659406348	414516661	/nfs/dbraw/zinc/51/66/61/414516661.db2.gz	NRPVNWWUWLHXGF-UHFFFAOYSA-N	-1	0	294.395	2.818	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659410645	414517911	/nfs/dbraw/zinc/51/79/11/414517911.db2.gz	XZLLOOMADWSDLN-MQYQWHSLSA-N	-1	0	294.395	2.674	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC000663127673	414654171	/nfs/dbraw/zinc/65/41/71/414654171.db2.gz	YRUDNURYOUCPID-CJNGLKHVSA-N	-1	0	277.364	2.612	20	30		CFEDRM
C=CCC1(NC(=O)CCCCC(=O)[O-])CCCC1	ZINC000663135567	414654800	/nfs/dbraw/zinc/65/48/00/414654800.db2.gz	SCBIXXYVPRZPPY-UHFFFAOYSA-N	-1	0	253.342	2.637	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000044750532	175244931	/nfs/dbraw/zinc/24/49/31/175244931.db2.gz	NLPYSEPNMKXKFR-UHFFFAOYSA-N	-1	0	274.320	2.899	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c(F)c1	ZINC000075040451	176655741	/nfs/dbraw/zinc/65/57/41/176655741.db2.gz	ZBGNHIKVQLLCOM-UHFFFAOYSA-N	-1	0	273.329	2.825	20	30		CFEDRM
N#CC(=C([O-])c1cc2cc(Cl)ccn2n1)c1ccccn1	ZINC000355096335	227392906	/nfs/dbraw/zinc/39/29/06/227392906.db2.gz	JUKRTFUUGFBKCT-GFCCVEGCSA-N	-1	0	296.717	2.873	20	30		CFEDRM
N#CCCCCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000070940786	260158517	/nfs/dbraw/zinc/15/85/17/260158517.db2.gz	UKUNDZXRVJJLBW-UHFFFAOYSA-N	-1	0	280.368	2.612	20	30		CFEDRM
O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513904	260662071	/nfs/dbraw/zinc/66/20/71/260662071.db2.gz	RHNIQWKEIRXHRP-NSHDSACASA-N	-1	0	289.397	2.565	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000449001938	261071879	/nfs/dbraw/zinc/07/18/79/261071879.db2.gz	LSCDSZWIWCCXBD-OCCSQVGLSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000173901336	261173907	/nfs/dbraw/zinc/17/39/07/261173907.db2.gz	CKKLTLKAZVHLCB-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-]	ZINC000164583666	261355046	/nfs/dbraw/zinc/35/50/46/261355046.db2.gz	PKLRGMSMVBDLHE-IDYGVGOHSA-N	-1	0	296.710	2.693	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncccc1C#N	ZINC000194809967	262242961	/nfs/dbraw/zinc/24/29/61/262242961.db2.gz	VNOBHBKJACENTC-UHFFFAOYSA-N	-1	0	281.381	2.665	20	30		CFEDRM
C[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1ccccc1	ZINC000188207026	262284541	/nfs/dbraw/zinc/28/45/41/262284541.db2.gz	YHWMXTSMMHACQB-NSHDSACASA-N	-1	0	266.300	2.755	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1	ZINC000271927197	263000438	/nfs/dbraw/zinc/00/04/38/263000438.db2.gz	JMLPNYHQPPCDPK-WZBTVFNWSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCC(C)(C)O)c(=O)c1CCC#N	ZINC000340076562	263067022	/nfs/dbraw/zinc/06/70/22/263067022.db2.gz	JOIMLVSWYGMYIV-UHFFFAOYSA-N	-1	0	279.384	2.503	20	30		CFEDRM
N#CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000293176028	263138389	/nfs/dbraw/zinc/13/83/89/263138389.db2.gz	HGXYSSNIJDBGKV-UHFFFAOYSA-N	-1	0	256.664	2.817	20	30		CFEDRM
CCN(CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000294771290	263167406	/nfs/dbraw/zinc/16/74/06/263167406.db2.gz	AXRSBODCULLFHS-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000341134202	263323570	/nfs/dbraw/zinc/32/35/70/263323570.db2.gz	XMMLPACSZXDWTM-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000342986441	263560966	/nfs/dbraw/zinc/56/09/66/263560966.db2.gz	BPMNMXBMCFWUMY-SNVBAGLBSA-N	-1	0	289.347	2.988	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@H]2CC[C@H](C)CC2)s[n-]1	ZINC000330864314	264057358	/nfs/dbraw/zinc/05/73/58/264057358.db2.gz	UGKCHFFOZRUTOY-MGCOHNPYSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000331011316	264107113	/nfs/dbraw/zinc/10/71/13/264107113.db2.gz	VVIRALVRKZXACZ-CYBMUJFWSA-N	-1	0	267.398	2.798	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(C(F)(F)F)o1	ZINC000357702100	266348273	/nfs/dbraw/zinc/34/82/73/266348273.db2.gz	AMALTQKPRKQWFU-UHFFFAOYSA-N	-1	0	299.252	2.687	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nccc(F)c2C#N)c1	ZINC001243178852	782039512	/nfs/dbraw/zinc/03/95/12/782039512.db2.gz	QLXOXPKWTWPMHY-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C#N)c(C)n2)c1	ZINC001243178842	782039725	/nfs/dbraw/zinc/03/97/25/782039725.db2.gz	QFTLXNUZJOFSET-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)c3ccccc3n2)C1	ZINC000399121353	270326765	/nfs/dbraw/zinc/32/67/65/270326765.db2.gz	ZMATVFVJYMXIQG-WCQYABFASA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000237964189	277822797	/nfs/dbraw/zinc/82/27/97/277822797.db2.gz	WDALZFNAGLRHDU-KKUMJFAQSA-N	-1	0	291.391	2.999	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@@H](C)[C@@H](C)C2)[n-]1	ZINC000410539945	280763139	/nfs/dbraw/zinc/76/31/39/280763139.db2.gz	LBUODHOHARCRKG-AGIUHOORSA-N	-1	0	288.395	2.768	20	30		CFEDRM
CCCN(C(=O)Nc1ccc(C#N)cc1)[C@H](CC)C(=O)[O-]	ZINC000516444820	281303860	/nfs/dbraw/zinc/30/38/60/281303860.db2.gz	JKTIOOCQTOCOAH-CYBMUJFWSA-N	-1	0	289.335	2.665	20	30		CFEDRM
N#Cc1ccc2nc(N3CCC[C@H](CC(=O)[O-])C3)ccc2c1	ZINC000561088014	282046774	/nfs/dbraw/zinc/04/67/74/282046774.db2.gz	RJGLSGGRSDJWPP-CYBMUJFWSA-N	-1	0	295.342	2.798	20	30		CFEDRM
Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000152723212	289853430	/nfs/dbraw/zinc/85/34/30/289853430.db2.gz	SVKAIVWXSXHDND-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1cnc(-c2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001243193023	782053690	/nfs/dbraw/zinc/05/36/90/782053690.db2.gz	FICSOAVKBHSBQF-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243193966	782053998	/nfs/dbraw/zinc/05/39/98/782053998.db2.gz	DADTVEALKTZSFT-UHFFFAOYSA-N	-1	0	267.288	2.584	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243202664	782063612	/nfs/dbraw/zinc/06/36/12/782063612.db2.gz	WFODCXXSERCAEP-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1	ZINC000262067639	303192558	/nfs/dbraw/zinc/19/25/58/303192558.db2.gz	BLKLZYFJRDGRLQ-UHFFFAOYSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)[n-]c1C#N	ZINC000245693591	303215783	/nfs/dbraw/zinc/21/57/83/303215783.db2.gz	UZQIJEHHKJTNRO-IJLUTSLNSA-N	-1	0	297.362	2.698	20	30		CFEDRM
Cc1cc(-c2cnc(C#N)c(F)c2)ccc1C(=O)[O-]	ZINC001243214020	782075346	/nfs/dbraw/zinc/07/53/46/782075346.db2.gz	ATURSOIOCXWINN-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(-c2cncc(F)c2C#N)ccc1C(=O)[O-]	ZINC001243215727	782076652	/nfs/dbraw/zinc/07/66/52/782076652.db2.gz	YWWQVTLJOFYGBP-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nocc1C	ZINC000194798401	327883901	/nfs/dbraw/zinc/88/39/01/327883901.db2.gz	ULKBRJSZSKJBFA-UHFFFAOYSA-N	-1	0	260.359	2.695	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2nc(C)cs2)co1	ZINC000338629025	327986808	/nfs/dbraw/zinc/98/68/08/327986808.db2.gz	XZQQXOVCJXAMEF-VIFPVBQESA-N	-1	0	275.333	2.882	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000393746538	329089150	/nfs/dbraw/zinc/08/91/50/329089150.db2.gz	PGGYXTDSLYMDAO-CHWSQXEVSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000393746540	329089314	/nfs/dbraw/zinc/08/93/14/329089314.db2.gz	PGGYXTDSLYMDAO-QWHCGFSZSA-N	-1	0	282.384	2.674	20	30		CFEDRM
COc1ccc(-c2noc(=NCC(C)(C)CC#N)[n-]2)cc1	ZINC000413404037	328145481	/nfs/dbraw/zinc/14/54/81/328145481.db2.gz	HSGFMHZNHBZZIR-UHFFFAOYSA-N	-1	0	286.335	2.519	20	30		CFEDRM
C[C@H](CCC#N)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1	ZINC000278602824	328228064	/nfs/dbraw/zinc/22/80/64/328228064.db2.gz	LYICVROUSDNAPR-SECBINFHSA-N	-1	0	276.365	2.521	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000191442332	328509699	/nfs/dbraw/zinc/50/96/99/328509699.db2.gz	OASDXWQTCZAREY-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000580430781	325034684	/nfs/dbraw/zinc/03/46/84/325034684.db2.gz	WOQOOAKNCREDRT-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000398222484	326875347	/nfs/dbraw/zinc/87/53/47/326875347.db2.gz	OJIQBAXDYQMBBL-STQMWFEESA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000584180244	327060327	/nfs/dbraw/zinc/06/03/27/327060327.db2.gz	GTFVJAUCOOITPW-LBPRGKRZSA-N	-1	0	296.392	2.919	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000263540550	327078414	/nfs/dbraw/zinc/07/84/14/327078414.db2.gz	QPKOLRQBLZGNNM-NSHDSACASA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000263551908	327079814	/nfs/dbraw/zinc/07/98/14/327079814.db2.gz	WWIABFWNPSWVOX-NSHDSACASA-N	-1	0	261.321	2.859	20	30		CFEDRM
C=CCCCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000569589811	327201461	/nfs/dbraw/zinc/20/14/61/327201461.db2.gz	NGOGXSKKEYDYTG-UHFFFAOYSA-N	-1	0	278.308	2.777	20	30		CFEDRM
CC(C)[C@](C)(CO)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000331206356	327386323	/nfs/dbraw/zinc/38/63/23/327386323.db2.gz	OXQZLWRCGKGTIZ-ZDUSSCGKSA-N	-1	0	291.269	2.521	20	30		CFEDRM
C=CCCCCCN=c1[n-]nc(-c2ccon2)s1	ZINC000566483099	327393440	/nfs/dbraw/zinc/39/34/40/327393440.db2.gz	KJMPGCZGSFOQNH-UHFFFAOYSA-N	-1	0	264.354	2.773	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000393746539	329089308	/nfs/dbraw/zinc/08/93/08/329089308.db2.gz	PGGYXTDSLYMDAO-OLZOCXBDSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000393763105	329089459	/nfs/dbraw/zinc/08/94/59/329089459.db2.gz	PHGREYYJYGFNED-RQJABVFESA-N	-1	0	294.395	2.768	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000398061430	329432400	/nfs/dbraw/zinc/43/24/00/329432400.db2.gz	CJZWINLHFQFCIB-TZMCWYRMSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262475503	330016180	/nfs/dbraw/zinc/01/61/80/330016180.db2.gz	ZPYYDCVSSGFKLV-GFCCVEGCSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(c2cccc(C)c2)CC1)C(=O)[O-]	ZINC000262836184	330034955	/nfs/dbraw/zinc/03/49/55/330034955.db2.gz	GHJUXHHEBRHXDM-AWEZNQCLSA-N	-1	0	287.359	2.562	20	30		CFEDRM
N#CCCN(Cc1ccco1)Cc1ccc(C(=O)[O-])cc1	ZINC000262956127	330037841	/nfs/dbraw/zinc/03/78/41/330037841.db2.gz	BIOFYIDJZNMKLI-UHFFFAOYSA-N	-1	0	284.315	2.894	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000262984008	330037962	/nfs/dbraw/zinc/03/79/62/330037962.db2.gz	UQILUCHEPZXCGH-ZYHUDNBSSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(CCOCC)CCCC1)C(=O)[O-]	ZINC000262994053	330038139	/nfs/dbraw/zinc/03/81/39/330038139.db2.gz	VOEVOWDCPRWUHW-CYBMUJFWSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1ccc(C)cc1)C(=O)[O-]	ZINC000263023476	330039067	/nfs/dbraw/zinc/03/90/67/330039067.db2.gz	YGJIPROUTCDEHE-OAHLLOKOSA-N	-1	0	289.375	2.853	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000263024852	330039256	/nfs/dbraw/zinc/03/92/56/330039256.db2.gz	YJASLWYXMFPSIC-KBPBESRZSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000263034872	330039868	/nfs/dbraw/zinc/03/98/68/330039868.db2.gz	CLDQLNNARGGJKR-VXGBXAGGSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCC1	ZINC000263196954	330048651	/nfs/dbraw/zinc/04/86/51/330048651.db2.gz	UMFOPASXXFHBKO-UHFFFAOYSA-N	-1	0	273.332	2.747	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(C)n2)n1	ZINC000079639071	330050811	/nfs/dbraw/zinc/05/08/11/330050811.db2.gz	AUXJSNXHXJYQPF-JTQLQIEISA-N	-1	0	257.318	2.645	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000263265115	330051179	/nfs/dbraw/zinc/05/11/79/330051179.db2.gz	VGWBRRXVLNPXFJ-JTQLQIEISA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263333399	330052385	/nfs/dbraw/zinc/05/23/85/330052385.db2.gz	QJJIAQDXRAEPQP-NWDGAFQWSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCOc1ccc(C[N@H+](C)CCC(=O)[O-])cc1Cl	ZINC000263438844	330055718	/nfs/dbraw/zinc/05/57/18/330055718.db2.gz	VOLGINOXUYUKEA-UHFFFAOYSA-N	-1	0	283.755	2.811	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000263535876	330059079	/nfs/dbraw/zinc/05/90/79/330059079.db2.gz	ONRWWQOPPQPSNB-SNVBAGLBSA-N	-1	0	279.311	2.999	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000263537100	330059155	/nfs/dbraw/zinc/05/91/55/330059155.db2.gz	PBRAXHJAEJKDFA-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCc2ccncc2C)s1	ZINC000421818836	330086388	/nfs/dbraw/zinc/08/63/88/330086388.db2.gz	CUFBLOPVKJSORU-UHFFFAOYSA-N	-1	0	292.433	2.596	20	30		CFEDRM
CCC(CC)(CNC(=O)NCC(C)(C)CCC#N)C(=O)[O-]	ZINC000424398635	330350172	/nfs/dbraw/zinc/35/01/72/330350172.db2.gz	ORTJSERNMIAZSI-UHFFFAOYSA-N	-1	0	297.399	2.507	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424421902	330351530	/nfs/dbraw/zinc/35/15/30/330351530.db2.gz	DZDDTBNJMNPYSP-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000439940233	330744899	/nfs/dbraw/zinc/74/48/99/330744899.db2.gz	LFEMCKUKVYFQSK-DZGCQCFKSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sccc1C1CC1)C(=O)[O-]	ZINC000448993152	330890428	/nfs/dbraw/zinc/89/04/28/330890428.db2.gz	MLTMHNZZDUPKGW-LLVKDONJSA-N	-1	0	279.361	2.775	20	30		CFEDRM
C=C(C)CCN=c1[n-]nc(Cc2ccccc2)s1	ZINC000450712203	330995043	/nfs/dbraw/zinc/99/50/43/330995043.db2.gz	INHLKGQPXMIJSD-UHFFFAOYSA-N	-1	0	259.378	2.929	20	30		CFEDRM
CC#CCSc1n[n-]c(=Nc2cccc(F)c2)s1	ZINC000463250695	331344340	/nfs/dbraw/zinc/34/43/40/331344340.db2.gz	NVZHPYUNUCGRMH-UHFFFAOYSA-N	-1	0	279.365	2.958	20	30		CFEDRM
C=CCCCN(C)C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000492121572	332383665	/nfs/dbraw/zinc/38/36/65/332383665.db2.gz	XOUWTGMUWLLZBW-FLIBITNWSA-N	-1	0	273.332	2.823	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1	ZINC000517145395	333093331	/nfs/dbraw/zinc/09/33/31/333093331.db2.gz	LNHJVFUHHCCLBX-UHFFFAOYSA-N	-1	0	286.331	2.541	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)[O-]	ZINC000517282216	333096931	/nfs/dbraw/zinc/09/69/31/333096931.db2.gz	CHVAUDXJDURQHY-ZDUSSCGKSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C#CCN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCCC1	ZINC000186861267	333165825	/nfs/dbraw/zinc/16/58/25/333165825.db2.gz	HFEUDFDSQRBOCN-UHFFFAOYSA-N	-1	0	279.286	2.688	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1Cc2c1cccc2Cl	ZINC000529513477	333492288	/nfs/dbraw/zinc/49/22/88/333492288.db2.gz	RWXFMAAYVWINFQ-KCJUWKMLSA-N	-1	0	251.713	2.602	20	30		CFEDRM
CC#CCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C	ZINC000551948103	334267338	/nfs/dbraw/zinc/26/73/38/334267338.db2.gz	HWMZHGMLMGLUPK-UHFFFAOYSA-N	-1	0	298.346	2.618	20	30		CFEDRM
N#CC(=C([O-])c1cnc([C@H]2CCCO2)s1)c1ccccn1	ZINC000089966712	334354527	/nfs/dbraw/zinc/35/45/27/334354527.db2.gz	UGHDNAFMVWPSID-CMPLNLGQSA-N	-1	0	299.355	2.880	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1nc(-c2ccccc2)o[n-]1	ZINC000555855620	334490142	/nfs/dbraw/zinc/49/01/42/334490142.db2.gz	WFVOOXACYHVANW-ZIAGYGMSSA-N	-1	0	285.347	2.552	20	30		CFEDRM
C=CCCCCCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000565725157	334591899	/nfs/dbraw/zinc/59/18/99/334591899.db2.gz	CZBSJXCUQVDZRG-UHFFFAOYSA-N	-1	0	261.321	2.861	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000565785412	334597096	/nfs/dbraw/zinc/59/70/96/334597096.db2.gz	QLWDKTAHVZRZRS-QMMMGPOBSA-N	-1	0	286.253	2.833	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000566984834	334671957	/nfs/dbraw/zinc/67/19/57/334671957.db2.gz	UYDYBTUGZASWOK-CHWSQXEVSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1c(C)cc(F)cc1C)C(=O)[O-]	ZINC000568110126	334793189	/nfs/dbraw/zinc/79/31/89/334793189.db2.gz	JLALKBUBKJOUBE-GFCCVEGCSA-N	-1	0	279.311	2.592	20	30		CFEDRM
CC(C)[C@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000577623897	335380872	/nfs/dbraw/zinc/38/08/72/335380872.db2.gz	BNYRJSKUUVRMHW-JTQLQIEISA-N	-1	0	286.253	2.689	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000578951856	335692406	/nfs/dbraw/zinc/69/24/06/335692406.db2.gz	XYUNHVZWORQUBO-UHFFFAOYSA-N	-1	0	297.376	2.710	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2C=CCCC2)s1	ZINC000381151428	336052716	/nfs/dbraw/zinc/05/27/16/336052716.db2.gz	PCCHBWOZDYDWAP-SECBINFHSA-N	-1	0	253.396	2.759	20	30		CFEDRM
C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)[O-])c(F)c1	ZINC000382498473	336091676	/nfs/dbraw/zinc/09/16/76/336091676.db2.gz	MRFQUQVFHJJWIJ-UHFFFAOYSA-N	-1	0	251.301	2.922	20	30		CFEDRM
C=C(C)CCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000386739264	336177626	/nfs/dbraw/zinc/17/76/26/336177626.db2.gz	CZOGOCGCMSQWKP-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
N#Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ccn1	ZINC001243323368	782137429	/nfs/dbraw/zinc/13/74/29/782137429.db2.gz	BIYILYMJDWIZFI-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
CSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354475026	534189395	/nfs/dbraw/zinc/18/93/95/534189395.db2.gz	QUCXAIHJZRECAJ-GFCCVEGCSA-N	-1	0	269.329	2.689	20	30		CFEDRM
C=CCOc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1	ZINC000050195274	519026246	/nfs/dbraw/zinc/02/62/46/519026246.db2.gz	PGUAQALWIXFDQP-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
CC(C)C[C@@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000336854983	519776449	/nfs/dbraw/zinc/77/64/49/519776449.db2.gz	SVCHNNZNDUDCPX-LBPRGKRZSA-N	-1	0	297.358	2.687	20	30		CFEDRM
CCC(CC)(CNc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000165063764	521444356	/nfs/dbraw/zinc/44/43/56/521444356.db2.gz	BHUWJCBGFIGTOZ-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
CCC(CC)(CNc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)[O-]	ZINC000127758910	521445827	/nfs/dbraw/zinc/44/58/27/521445827.db2.gz	QHXGVERHBZBIQY-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000237950859	534569854	/nfs/dbraw/zinc/56/98/54/534569854.db2.gz	MTCSARALPSHNLG-OAHLLOKOSA-N	-1	0	287.359	2.567	20	30		CFEDRM
CN(CCCC(=O)[O-])C(=O)Nc1ccc(C#N)cc1Cl	ZINC000234284906	522721849	/nfs/dbraw/zinc/72/18/49/522721849.db2.gz	HESNBRGQTOMZSF-UHFFFAOYSA-N	-1	0	295.726	2.540	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C#N)c(Cl)c1	ZINC000061845213	522724275	/nfs/dbraw/zinc/72/42/75/522724275.db2.gz	GUOGUJTXEINOKL-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000263493242	534674732	/nfs/dbraw/zinc/67/47/32/534674732.db2.gz	XIRZRLMVDOZWDY-FRRDWIJNSA-N	-1	0	275.348	2.572	20	30		CFEDRM
CC[C@@H]1CCCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361762486	523209610	/nfs/dbraw/zinc/20/96/10/523209610.db2.gz	BEVGQXKSJJQBGH-TZMCWYRMSA-N	-1	0	288.395	2.912	20	30		CFEDRM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1	ZINC000335125137	524307801	/nfs/dbraw/zinc/30/78/01/524307801.db2.gz	VYQNQQWIFMCSDD-UHFFFAOYSA-N	-1	0	290.344	2.877	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1C#N	ZINC000235903101	525423926	/nfs/dbraw/zinc/42/39/26/525423926.db2.gz	RDRGVWVFEKSREZ-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCC1	ZINC000050212791	525998404	/nfs/dbraw/zinc/99/84/04/525998404.db2.gz	RSKRHEYTIBKHAX-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000124593598	526562376	/nfs/dbraw/zinc/56/23/76/526562376.db2.gz	BYOFZVQAEZZGEV-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1F	ZINC000307958460	526666077	/nfs/dbraw/zinc/66/60/77/526666077.db2.gz	IBEWDXPJKVZLQV-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=CC[C@H](CC)[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000353168970	527163308	/nfs/dbraw/zinc/16/33/08/527163308.db2.gz	NMGQVNVPYJGXEW-VIFPVBQESA-N	-1	0	293.310	2.737	20	30		CFEDRM
CC(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C1CC1	ZINC000354461695	528652671	/nfs/dbraw/zinc/65/26/71/528652671.db2.gz	GGLAKRWOZGCHIV-LBPRGKRZSA-N	-1	0	295.346	2.621	20	30		CFEDRM
CCCCCc1n[n-]c(=NCc2nc(C#N)cs2)s1	ZINC000357706270	535141759	/nfs/dbraw/zinc/14/17/59/535141759.db2.gz	HZUJFPHJONJFSY-UHFFFAOYSA-N	-1	0	293.421	2.633	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000736427569	574051613	/nfs/dbraw/zinc/05/16/13/574051613.db2.gz	AOGTULGGVAZHGW-CYBMUJFWSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C#CCCNC(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000738457426	574064283	/nfs/dbraw/zinc/06/42/83/574064283.db2.gz	NLZMLIWEBUQTSL-UHFFFAOYSA-N	-1	0	282.299	2.683	20	30		CFEDRM
C=C(C)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738485577	574089550	/nfs/dbraw/zinc/08/95/50/574089550.db2.gz	LDUARSWWYIMRRA-UHFFFAOYSA-N	-1	0	260.337	2.783	20	30		CFEDRM
CON=Cc1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000730947674	574104934	/nfs/dbraw/zinc/10/49/34/574104934.db2.gz	CGLVQQWQBGQSIK-UHFFFAOYSA-N	-1	0	275.260	2.537	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000740551824	574109607	/nfs/dbraw/zinc/10/96/07/574109607.db2.gz	WLDOMVFUPODQMB-UHFFFAOYSA-N	-1	0	292.295	2.573	20	30		CFEDRM
CCOc1ccc(/C=N/C[C@H](CC(C)C)C(=O)[O-])c(O)c1	ZINC000737198698	574118273	/nfs/dbraw/zinc/11/82/73/574118273.db2.gz	FJPWPRPESBVFSZ-YRUBURHZSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000738697643	574129939	/nfs/dbraw/zinc/12/99/39/574129939.db2.gz	HONGLQIMURYVJZ-UHFFFAOYSA-N	-1	0	297.399	2.601	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@@H]2CCO[C@@H]21	ZINC000737416872	574139709	/nfs/dbraw/zinc/13/97/09/574139709.db2.gz	VWFFXUGLLVCIMT-AAEUAGOBSA-N	-1	0	274.320	2.598	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@H]2CCO[C@H]21	ZINC000737426633	574140275	/nfs/dbraw/zinc/14/02/75/574140275.db2.gz	BVGWGMFCQFMQAV-ZWNOBZJWSA-N	-1	0	274.320	2.598	20	30		CFEDRM
CCCCC(COC)N=Nc1ccccc1C(=O)[O-]	ZINC000737427488	574140804	/nfs/dbraw/zinc/14/08/04/574140804.db2.gz	MRBQGLIMMYTMCU-UHFFFAOYSA-N	-1	0	264.325	2.989	20	30		CFEDRM
COc1ccc(CN=Nc2nc(C)c(C(=O)[O-])s2)cc1	ZINC000737982610	574155427	/nfs/dbraw/zinc/15/54/27/574155427.db2.gz	LHTZMHFNWWWXOD-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
COc1ccc(O)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000738041984	574155981	/nfs/dbraw/zinc/15/59/81/574155981.db2.gz	RGOBGZFQTQOZDN-GZQZNAIASA-N	-1	0	299.326	2.516	20	30		CFEDRM
CCCCCCCCCCC(=O)[N-]S(=O)(=O)CC	ZINC000732604817	574162533	/nfs/dbraw/zinc/16/25/33/574162533.db2.gz	NZEVWOCZBKLQGT-UHFFFAOYSA-N	-1	0	277.430	2.983	20	30		CFEDRM
N#CCCCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000738428831	574168365	/nfs/dbraw/zinc/16/83/65/574168365.db2.gz	VYDKQBCRNKJBBW-UHFFFAOYSA-N	-1	0	295.726	2.854	20	30		CFEDRM
N#Cc1ccc(NC2CCN(C(=O)[O-])CC2)cc1Cl	ZINC000738430372	574168679	/nfs/dbraw/zinc/16/86/79/574168679.db2.gz	FDNCIQDICGCHBA-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
CC(C)[C@H](C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738760477	574183610	/nfs/dbraw/zinc/18/36/10/574183610.db2.gz	BSSZGUPXULANBN-NSHDSACASA-N	-1	0	295.726	2.708	20	30		CFEDRM
C[C@H](CCNc1cc(Cl)ccc1C#N)NC(=O)[O-]	ZINC000738908991	574190226	/nfs/dbraw/zinc/19/02/26/574190226.db2.gz	YWPYRVKURSJCJB-MRVPVSSYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
Cc1oc(CN=Nc2cnc3ccccc3n2)cc1C(=O)[O-]	ZINC000738970992	574191869	/nfs/dbraw/zinc/19/18/69/574191869.db2.gz	ZXFWOUMKEIAYPN-UHFFFAOYSA-N	-1	0	296.286	2.675	20	30		CFEDRM
N#Cc1c(Cl)nsc1NCc1ccc(C(=O)[O-])o1	ZINC000739092785	574198136	/nfs/dbraw/zinc/19/81/36/574198136.db2.gz	KFZSKYUKQXRTOG-UHFFFAOYSA-N	-1	0	283.696	2.571	20	30		CFEDRM
N#CCc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000739092754	574198142	/nfs/dbraw/zinc/19/81/42/574198142.db2.gz	WDYSVTMUKIWUGA-MRXNPFEDSA-N	-1	0	291.310	2.862	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)/C=C/c2ccco2)C(=O)[O-])cc1	ZINC000739107282	574198887	/nfs/dbraw/zinc/19/88/87/574198887.db2.gz	AIFNKOCDTGIQRW-KIUWMYQTSA-N	-1	0	297.266	2.534	20	30		CFEDRM
N#Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739121393	574199109	/nfs/dbraw/zinc/19/91/09/574199109.db2.gz	PHUCWYWJKWDEOM-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CC=CCC2)C(=O)[O-])cc1	ZINC000739110086	574199220	/nfs/dbraw/zinc/19/92/20/574199220.db2.gz	OMTSJMHBKXZMMD-UONOGXRCSA-N	-1	0	285.299	2.583	20	30		CFEDRM
N#Cc1ccc(COc2ccc(C(=O)[O-])cc2C=O)c(F)c1	ZINC000739118156	574199300	/nfs/dbraw/zinc/19/93/00/574199300.db2.gz	NTMCDUOWRAVRMF-UHFFFAOYSA-N	-1	0	299.257	2.787	20	30		CFEDRM
N#Cc1cccc(NCCc2ccc(NC(=O)[O-])cc2)n1	ZINC000739133452	574199514	/nfs/dbraw/zinc/19/95/14/574199514.db2.gz	IDUSMYGZHDHVIX-UHFFFAOYSA-N	-1	0	282.303	2.698	20	30		CFEDRM
CCCCCCCC(=O)N1CCN(C(=O)[O-])C[C@@H]1C	ZINC000739329522	574208444	/nfs/dbraw/zinc/20/84/44/574208444.db2.gz	ITRFXZPZKMHMIL-LBPRGKRZSA-N	-1	0	270.373	2.558	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([C@H](C)CC)cc1	ZINC000756232952	574217658	/nfs/dbraw/zinc/21/76/58/574217658.db2.gz	IBJXQFUIYZPELF-IUODEOHRSA-N	-1	0	284.359	2.825	20	30		CFEDRM
CN(CC1CCN(c2cccc(F)c2C#N)CC1)C(=O)[O-]	ZINC000739664906	574222471	/nfs/dbraw/zinc/22/24/71/574222471.db2.gz	SOPVQVOBWUSHEL-UHFFFAOYSA-N	-1	0	291.326	2.524	20	30		CFEDRM
O=C([O-])COc1ccc(C(=O)/C=C/c2nccs2)cc1	ZINC000739819613	574225504	/nfs/dbraw/zinc/22/55/04/574225504.db2.gz	VLSPJFVLVNOYRT-AATRIKPKSA-N	-1	0	289.312	2.503	20	30		CFEDRM
COc1ccc(NC[C@H](C#N)CCC#N)cc1NC(=O)[O-]	ZINC000739924637	574229619	/nfs/dbraw/zinc/22/96/19/574229619.db2.gz	DNGJGQWCQDFPRJ-JTQLQIEISA-N	-1	0	288.307	2.641	20	30		CFEDRM
CC/C=C(/C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000729701954	574229767	/nfs/dbraw/zinc/22/97/67/574229767.db2.gz	PIOYTXTWDUXGDT-GWZUUTHWSA-N	-1	0	292.360	2.527	20	30		CFEDRM
O=[N+]([O-])c1ccc(CN=Nc2ncccc2Cl)cc1[O-]	ZINC000748132415	574231066	/nfs/dbraw/zinc/23/10/66/574231066.db2.gz	AEZNXNMVCXMGBK-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
O=C([O-])NCc1ccc(N=Cc2cccc(O)c2O)cc1	ZINC000739981594	574231119	/nfs/dbraw/zinc/23/11/19/574231119.db2.gz	YHGIBJXYIOGIJI-UHFFFAOYSA-N	-1	0	286.287	2.616	20	30		CFEDRM
O=C([O-])Nc1ccccc1C(=O)NCC#Cc1ccccc1	ZINC000740047572	574233629	/nfs/dbraw/zinc/23/36/29/574233629.db2.gz	WSHBDTJOEDDYJY-UHFFFAOYSA-N	-1	0	294.310	2.558	20	30		CFEDRM
O=C([O-])c1occc1/C=C1\COc2ccc(F)cc2C1=O	ZINC000740306558	574246173	/nfs/dbraw/zinc/24/61/73/574246173.db2.gz	CLXFCSDMGKIOLX-WEVVVXLNSA-N	-1	0	288.230	2.776	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2cccc(CNC(=O)[O-])c2)cc1	ZINC000740312992	574246425	/nfs/dbraw/zinc/24/64/25/574246425.db2.gz	MRZBHYJBJZDCJZ-UHFFFAOYSA-N	-1	0	296.282	2.545	20	30		CFEDRM
N#Cc1ccc(NCCCN(C(=O)[O-])C2CC2)c(F)c1	ZINC000740318730	574246490	/nfs/dbraw/zinc/24/64/90/574246490.db2.gz	DIGDRJKKAQXOHI-UHFFFAOYSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1ccc(CC(=O)Nc2ccccc2NC(=O)[O-])cc1	ZINC000740313636	574246635	/nfs/dbraw/zinc/24/66/35/574246635.db2.gz	VETCFCSUVQKSIG-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
N#Cc1ccc(NCC2(NC(=O)[O-])CCCCC2)cc1	ZINC000740318918	574246757	/nfs/dbraw/zinc/24/67/57/574246757.db2.gz	INXULLCCFJHVFY-UHFFFAOYSA-N	-1	0	273.336	2.941	20	30		CFEDRM
N#Cc1cc(N[C@H]2CCCN(C(=O)[O-])C2)nc2ccccc12	ZINC000740313071	574246790	/nfs/dbraw/zinc/24/67/90/574246790.db2.gz	INKKAWWQBWYCFM-LBPRGKRZSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1cc(F)c(N[C@H]2CCCCN(C(=O)[O-])C2)c(F)c1	ZINC000740311480	574246798	/nfs/dbraw/zinc/24/67/98/574246798.db2.gz	QGBBJJHJCIJNMZ-JTQLQIEISA-N	-1	0	295.289	2.781	20	30		CFEDRM
N#Cc1ccc(Nc2ccc3c(c2)CN(C(=O)[O-])CC3)nc1	ZINC000740319872	574247276	/nfs/dbraw/zinc/24/72/76/574247276.db2.gz	ZYZFBHKTXYJHHW-UHFFFAOYSA-N	-1	0	294.314	2.733	20	30		CFEDRM
O=C([O-])N1CC[C@H](/N=C/c2c(O)ccc3ccccc32)C1	ZINC000740505127	574252579	/nfs/dbraw/zinc/25/25/79/574252579.db2.gz	IOKQDGJAHQUUQH-UWONZBIMSA-N	-1	0	284.315	2.717	20	30		CFEDRM
O=C([O-])N[C@@H](C/N=C\c1ccccc1O)c1ccccc1	ZINC000740541421	574254655	/nfs/dbraw/zinc/25/46/55/574254655.db2.gz	ZBLCPTIBLWJTDB-XGHPXPSOSA-N	-1	0	284.315	2.820	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(Cl)nc1	ZINC000748780865	574266246	/nfs/dbraw/zinc/26/62/46/574266246.db2.gz	PTNFHMSEJNNJKB-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@@H]1C	ZINC000756901724	574271381	/nfs/dbraw/zinc/27/13/81/574271381.db2.gz	YPRROTHDKNDDPT-VIFPVBQESA-N	-1	0	262.309	2.981	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(F)c1	ZINC000756901105	574271570	/nfs/dbraw/zinc/27/15/70/574271570.db2.gz	KEJWJGGMVFTULM-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
COc1ccc2c(c1)OCC2=NNc1cccc(C(=O)[O-])c1	ZINC000749158470	574282992	/nfs/dbraw/zinc/28/29/92/574282992.db2.gz	OWANBWPMQUSUJG-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cnc(C)nc1C	ZINC000741451596	574290817	/nfs/dbraw/zinc/29/08/17/574290817.db2.gz	SMVRMFYAWFZCRI-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cncs1	ZINC000734746009	574300589	/nfs/dbraw/zinc/30/05/89/574300589.db2.gz	UBLCVKSYEVSTAV-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)[C@H]1CCOC1	ZINC000741838478	574305835	/nfs/dbraw/zinc/30/58/35/574305835.db2.gz	MCRPAPJIYBYAAI-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1ccc(CC(N=Nc2nnc(C)c(=O)[n-]2)C2CC2)cc1	ZINC000741837178	574306153	/nfs/dbraw/zinc/30/61/53/574306153.db2.gz	KVGKDDXHFLODFU-UHFFFAOYSA-N	-1	0	297.362	2.615	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)[nH]1	ZINC000749812999	574310839	/nfs/dbraw/zinc/31/08/39/574310839.db2.gz	VPJURLIZRVYBNJ-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2nccs2)c1	ZINC000735229225	574316041	/nfs/dbraw/zinc/31/60/41/574316041.db2.gz	WBTVIKVGTUMCIP-SNAWJCMRSA-N	-1	0	289.312	2.503	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2nccs2)c1	ZINC000735229224	574316053	/nfs/dbraw/zinc/31/60/53/574316053.db2.gz	WBTVIKVGTUMCIP-PLNGDYQASA-N	-1	0	289.312	2.503	20	30		CFEDRM
C=CCCCSCCOc1ccc(-c2nn[nH]n2)cc1	ZINC000735413458	574322901	/nfs/dbraw/zinc/32/29/01/574322901.db2.gz	VLPRHFLKVNPHHX-UHFFFAOYSA-N	-1	0	290.392	2.945	20	30		CFEDRM
N#CC1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1	ZINC000739065901	574342770	/nfs/dbraw/zinc/34/27/70/574342770.db2.gz	FAJUDMIBXRMWDG-UHFFFAOYSA-N	-1	0	288.307	2.544	20	30		CFEDRM
N#CCCCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000739070264	574344251	/nfs/dbraw/zinc/34/42/51/574344251.db2.gz	YHZVOEVUPZWDCS-UHFFFAOYSA-N	-1	0	289.335	2.519	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccccc1C(=O)[O-]	ZINC000755813697	574345089	/nfs/dbraw/zinc/34/50/89/574345089.db2.gz	HKYXFJNTSBFMOK-CYBMUJFWSA-N	-1	0	263.293	2.652	20	30		CFEDRM
N#C[C@H](C(=O)c1cccc(NC(=O)[O-])c1)c1ccccn1	ZINC000739073061	574345702	/nfs/dbraw/zinc/34/57/02/574345702.db2.gz	BGCMFBUCMBQLQX-LBPRGKRZSA-N	-1	0	281.271	2.662	20	30		CFEDRM
C=CCN(C(=O)c1cccc(NC(=O)[O-])c1)C(C)C	ZINC000736108052	574350234	/nfs/dbraw/zinc/35/02/34/574350234.db2.gz	IKTJTTFOISJHAP-UHFFFAOYSA-N	-1	0	262.309	2.813	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CCCN(C)C(=O)[O-]	ZINC000736108683	574350358	/nfs/dbraw/zinc/35/03/58/574350358.db2.gz	NDBRIQQYBDSWLK-UHFFFAOYSA-N	-1	0	296.392	2.653	20	30		CFEDRM
C#CCOc1ccccc1OCc1cc(C(=O)[O-])oc1C	ZINC000736087475	574350456	/nfs/dbraw/zinc/35/04/56/574350456.db2.gz	HWXTTXLKPKHITB-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000736091507	574350690	/nfs/dbraw/zinc/35/06/90/574350690.db2.gz	XICQRSKOMYXVAU-UHFFFAOYSA-N	-1	0	285.324	2.704	20	30		CFEDRM
C=CCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1	ZINC000736097037	574351281	/nfs/dbraw/zinc/35/12/81/574351281.db2.gz	VTUUQADMSVCKIS-UHFFFAOYSA-N	-1	0	265.284	2.600	20	30		CFEDRM
C=CCS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736114002	574351633	/nfs/dbraw/zinc/35/16/33/574351633.db2.gz	JBDBORODRHWMLF-SECBINFHSA-N	-1	0	267.350	2.820	20	30		CFEDRM
C[C@@H](CCNc1cc(C#N)c2ccccc2n1)NC(=O)[O-]	ZINC000738904847	574357152	/nfs/dbraw/zinc/35/71/52/574357152.db2.gz	KQQLWOAJPZOMRW-JTQLQIEISA-N	-1	0	284.319	2.565	20	30		CFEDRM
Cc1ccnc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000755904072	574365097	/nfs/dbraw/zinc/36/50/97/574365097.db2.gz	AMLMVUDXJCQPKB-UHFFFAOYSA-N	-1	0	263.247	2.820	20	30		CFEDRM
C#CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000751068201	574369117	/nfs/dbraw/zinc/36/91/17/574369117.db2.gz	JWVAZURONMQMSF-UHFFFAOYSA-N	-1	0	273.719	2.952	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc(O)cc1	ZINC000751205334	574372017	/nfs/dbraw/zinc/37/20/17/574372017.db2.gz	BFAJJHMSJAJINX-BAQGIRSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
CC[C@](C)(C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000739215128	574376863	/nfs/dbraw/zinc/37/68/63/574376863.db2.gz	UTENDLKUXFFCTH-CYBMUJFWSA-N	-1	0	295.726	2.852	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1cccc(C(=O)[O-])c1	ZINC000751516023	574378185	/nfs/dbraw/zinc/37/81/85/574378185.db2.gz	DMMXLESYPNQZKI-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1noc(C2CC2)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000752680924	574393589	/nfs/dbraw/zinc/39/35/89/574393589.db2.gz	RLKLDNMFGCCXAE-UHFFFAOYSA-N	-1	0	283.287	2.690	20	30		CFEDRM
C#CCCN(CC(F)(F)F)C(=O)c1cccc(F)c1[O-]	ZINC000935422084	649906341	/nfs/dbraw/zinc/90/63/41/649906341.db2.gz	IIIXQGXPTNVHKD-UHFFFAOYSA-N	-1	0	289.228	2.559	20	30		CFEDRM
N#CCOc1cccc(NCc2ccc(C(=O)[O-])cc2)c1	ZINC000087846558	597300531	/nfs/dbraw/zinc/30/05/31/597300531.db2.gz	PJPCKEQABMKJQD-UHFFFAOYSA-N	-1	0	282.299	2.899	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000108847233	597499906	/nfs/dbraw/zinc/49/99/06/597499906.db2.gz	CNMKDBZSFDWGII-GFCCVEGCSA-N	-1	0	255.358	2.670	20	30		CFEDRM
O=C([O-])CCNN=C1CC(c2cccc(Cl)c2)C1	ZINC000821525478	597743451	/nfs/dbraw/zinc/74/34/51/597743451.db2.gz	XNXDEBOWYMUJEH-UHFFFAOYSA-N	-1	0	266.728	2.638	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2cccc(F)c2)CC1	ZINC000814804978	598097283	/nfs/dbraw/zinc/09/72/83/598097283.db2.gz	MRAVEHCURDKOTB-UHFFFAOYSA-N	-1	0	264.300	2.546	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000820602105	598154368	/nfs/dbraw/zinc/15/43/68/598154368.db2.gz	GBIKUHBODZBNKW-UHFFFAOYSA-N	-1	0	294.310	2.529	20	30		CFEDRM
C[C@@H](C#N)CN(Cc1cccc(C(=O)[O-])c1)C1CC1	ZINC000819874924	598211927	/nfs/dbraw/zinc/21/19/27/598211927.db2.gz	SRCDMHQWDFCJII-NSHDSACASA-N	-1	0	258.321	2.509	20	30		CFEDRM
CCCCC1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000820311163	598225375	/nfs/dbraw/zinc/22/53/75/598225375.db2.gz	PEIVVYUDWDQHHY-ZUEPYMLJSA-N	-1	0	294.395	2.856	20	30		CFEDRM
CC(C)c1ccc(N(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820057602	598230661	/nfs/dbraw/zinc/23/06/61/598230661.db2.gz	PGFYRCPWNPNRHL-MRXNPFEDSA-N	-1	0	288.347	2.777	20	30		CFEDRM
N#Cc1ccc(OCc2cccc(C(=O)[O-])c2)cc1F	ZINC000133359241	599968532	/nfs/dbraw/zinc/96/85/32/599968532.db2.gz	MGHMGWUZENUKPV-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1F	ZINC000129796261	599968572	/nfs/dbraw/zinc/96/85/72/599968572.db2.gz	KYHIKKKTPKSLJD-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
COc1cccc(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c1O	ZINC000738096596	600153704	/nfs/dbraw/zinc/15/37/04/600153704.db2.gz	QOVMZWPBVSAJEV-DZBQEORWSA-N	-1	0	299.326	2.516	20	30		CFEDRM
CC(C)(C#N)CCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000087592279	600815369	/nfs/dbraw/zinc/81/53/69/600815369.db2.gz	HURPBDHZDZKJGP-UHFFFAOYSA-N	-1	0	278.264	2.612	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000111475923	600914636	/nfs/dbraw/zinc/91/46/36/600914636.db2.gz	DDIVHVMPYXKYKM-OLZOCXBDSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C=CCOCCCC(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC000825698833	600939847	/nfs/dbraw/zinc/93/98/47/600939847.db2.gz	MZQHCMVGCBVHCW-UHFFFAOYSA-N	-1	0	278.304	2.581	20	30		CFEDRM
N#CCCCCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148087091	600960984	/nfs/dbraw/zinc/96/09/84/600960984.db2.gz	GQTRXFYCKAKHPE-GFCCVEGCSA-N	-1	0	258.321	2.759	20	30		CFEDRM
CC(C)CCN(CCC#N)Cc1ccc(C(=O)[O-])o1	ZINC000826848739	601017187	/nfs/dbraw/zinc/01/71/87/601017187.db2.gz	AVYUJDGAPKNBJI-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000161178715	601091376	/nfs/dbraw/zinc/09/13/76/601091376.db2.gz	WDYWIUULWKIHMB-UHFFFAOYSA-N	-1	0	296.754	2.923	20	30		CFEDRM
N#C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000821320522	601139657	/nfs/dbraw/zinc/13/96/57/601139657.db2.gz	QWHDKHXCURJVBS-AWEZNQCLSA-N	-1	0	286.331	2.587	20	30		CFEDRM
Cc1ccc(OC(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000832952947	601142201	/nfs/dbraw/zinc/14/22/01/601142201.db2.gz	IESZLPFGDYHHEO-UHFFFAOYSA-N	-1	0	287.296	2.846	20	30		CFEDRM
Cc1ccccc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000832976164	601330754	/nfs/dbraw/zinc/33/07/54/601330754.db2.gz	GZCMVOMDLDSKPY-VQHVLOKHSA-N	-1	0	255.273	2.917	20	30		CFEDRM
CCC/C=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829266067	601349057	/nfs/dbraw/zinc/34/90/57/601349057.db2.gz	FZSAJORMJVBNMA-YOIVXCQUSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=C(C)CN(CC)C(=O)COc1cc(C)sc1C(=O)[O-]	ZINC000070428805	601350860	/nfs/dbraw/zinc/35/08/60/601350860.db2.gz	MJFKPRIAXVYTTD-UHFFFAOYSA-N	-1	0	297.376	2.558	20	30		CFEDRM
C[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000827392118	601350851	/nfs/dbraw/zinc/35/08/51/601350851.db2.gz	SOWHFYKUXWHBEU-BMIGLBTASA-N	-1	0	287.315	2.663	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CC23CCCC3)C(=O)[O-])c1	ZINC000833076278	601355836	/nfs/dbraw/zinc/35/58/36/601355836.db2.gz	SYVFXDPHIDTZTM-KBPBESRZSA-N	-1	0	299.326	2.807	20	30		CFEDRM
COc1ccc(C#N)cc1NCc1cc(C(=O)[O-])oc1C	ZINC000832152868	601391296	/nfs/dbraw/zinc/39/12/96/601391296.db2.gz	OEASAGIXVPIVLK-UHFFFAOYSA-N	-1	0	286.287	2.779	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000825671576	601430453	/nfs/dbraw/zinc/43/04/53/601430453.db2.gz	VFRNQHVBNKGUDN-CYBMUJFWSA-N	-1	0	266.268	2.851	20	30		CFEDRM
CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000825912942	601444321	/nfs/dbraw/zinc/44/43/21/601444321.db2.gz	HKMUORJHNMTFRI-VURMDHGXSA-N	-1	0	298.298	2.567	20	30		CFEDRM
COc1ccc2c(c1)CC/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832493740	601445467	/nfs/dbraw/zinc/44/54/67/601445467.db2.gz	RNXSKKMHEIFZSC-FLIBITNWSA-N	-1	0	297.310	2.934	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000825671582	601451566	/nfs/dbraw/zinc/45/15/66/601451566.db2.gz	VJRJTMXALVBIMN-UHFFFAOYSA-N	-1	0	278.264	2.588	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C#N)cs1	ZINC000832914689	601526472	/nfs/dbraw/zinc/52/64/72/601526472.db2.gz	FCTOTXVDUHWPHW-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2sccc2C(=O)[O-])c1	ZINC000833078739	601534717	/nfs/dbraw/zinc/53/47/17/601534717.db2.gz	PHOVQOGVOXCSEM-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
Cc1cccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)n1	ZINC000832968303	601538156	/nfs/dbraw/zinc/53/81/56/601538156.db2.gz	VFTGRWSPAAJLLH-INIZCTEOSA-N	-1	0	295.342	2.519	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147494708	601625370	/nfs/dbraw/zinc/62/53/70/601625370.db2.gz	ORMQLAOBEAJVOK-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
Cc1nc(C(=O)[O-])cn1CC#Cc1ccc(Cl)cc1	ZINC000832994811	601639736	/nfs/dbraw/zinc/63/97/36/601639736.db2.gz	NNDPOMOMZSCDRL-UHFFFAOYSA-N	-1	0	274.707	2.595	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)ccc1O	ZINC000832858865	601793163	/nfs/dbraw/zinc/79/31/63/601793163.db2.gz	JMKINFFOFXODCB-DUXPYHPUSA-N	-1	0	271.272	2.623	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Oc3c(cccc3Cl)C2=O)c[nH]1	ZINC000833298295	601793555	/nfs/dbraw/zinc/79/35/55/601793555.db2.gz	RNTFOBVDGLJANA-WZUFQYTHSA-N	-1	0	289.674	2.983	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(Cl)cc2)c[nH]1	ZINC000814683698	601794893	/nfs/dbraw/zinc/79/48/93/601794893.db2.gz	MEXAYOWRSVDZPE-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc3cnccc32)c[nH]1	ZINC000814836126	601797475	/nfs/dbraw/zinc/79/74/75/601797475.db2.gz	JFKOLFAHPRSZNB-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
N#CCSCC(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000833067361	601808372	/nfs/dbraw/zinc/80/83/72/601808372.db2.gz	CVTANBRMTSAFMV-UHFFFAOYSA-N	-1	0	296.373	2.519	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1	ZINC000832953681	601826001	/nfs/dbraw/zinc/82/60/01/601826001.db2.gz	YJRCCPXEOZMUSZ-ZZXKWVIFSA-N	-1	0	272.256	2.888	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832952943	601826116	/nfs/dbraw/zinc/82/61/16/601826116.db2.gz	HVWSALLRUZHZCJ-HYXAFXHYSA-N	-1	0	271.272	2.623	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cccc(NC(=O)[O-])c2)C1	ZINC000828156174	601853471	/nfs/dbraw/zinc/85/34/71/601853471.db2.gz	FBHUPFNOVKCEJY-UHFFFAOYSA-N	-1	0	273.292	2.655	20	30		CFEDRM
C=CCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000825687825	601951537	/nfs/dbraw/zinc/95/15/37/601951537.db2.gz	YLVKSOBFCRNAKV-UHFFFAOYSA-N	-1	0	288.225	2.711	20	30		CFEDRM
C[C@H](SCCCOc1cccc(C#N)c1)C(=O)[O-]	ZINC000818065733	601970279	/nfs/dbraw/zinc/97/02/79/601970279.db2.gz	OGWRMWSIUTUPQA-JTQLQIEISA-N	-1	0	265.334	2.533	20	30		CFEDRM
C#Cc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1	ZINC000315706066	602027520	/nfs/dbraw/zinc/02/75/20/602027520.db2.gz	FPOLQLVYHDDTIK-UHFFFAOYSA-N	-1	0	294.310	2.688	20	30		CFEDRM
CCC(=CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828548884	602347451	/nfs/dbraw/zinc/34/74/51/602347451.db2.gz	GJUDIUFGBWVGRS-HNNXBMFYSA-N	-1	0	287.315	2.974	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C[C@@H](C)NC(=O)[O-])c1	ZINC000823480478	602827984	/nfs/dbraw/zinc/82/79/84/602827984.db2.gz	DKYPXTZCGKJPGN-LLVKDONJSA-N	-1	0	292.335	2.626	20	30		CFEDRM
CN(CCNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000828332545	603184857	/nfs/dbraw/zinc/18/48/57/603184857.db2.gz	QCCYYNGPJCOWTC-UHFFFAOYSA-N	-1	0	287.241	2.599	20	30		CFEDRM
C=CCCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823490490	603190640	/nfs/dbraw/zinc/19/06/40/603190640.db2.gz	DMVAMWVLUCOXLL-SNVBAGLBSA-N	-1	0	262.309	2.920	20	30		CFEDRM
C[C@H]1CN(c2c(Cl)cccc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000826075585	603192055	/nfs/dbraw/zinc/19/20/55/603192055.db2.gz	YZEAGPOJIPPPGV-JOYOIKCWSA-N	-1	0	293.754	2.694	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(F)c1	ZINC000831136945	603199681	/nfs/dbraw/zinc/19/96/81/603199681.db2.gz	MFNBYFAUJGFMLL-YPMHNXCESA-N	-1	0	291.326	2.936	20	30		CFEDRM
C#C[C@H](C)OC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823440582	603456213	/nfs/dbraw/zinc/45/62/13/603456213.db2.gz	AGEHZDYJLBPFES-ZETCQYMHSA-N	-1	0	297.694	2.617	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccc(Cl)nc1	ZINC000832451389	603634515	/nfs/dbraw/zinc/63/45/15/603634515.db2.gz	KYUULPSDKOOJOD-QMMMGPOBSA-N	-1	0	282.731	2.571	20	30		CFEDRM
C=CCCOCc1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000823496362	603643495	/nfs/dbraw/zinc/64/34/95/603643495.db2.gz	IIHUOYNHZZAIDO-UHFFFAOYSA-N	-1	0	289.291	2.919	20	30		CFEDRM
N#Cc1csc(C(=O)Oc2cccc(NC(=O)[O-])c2)c1	ZINC000831162161	603729546	/nfs/dbraw/zinc/72/95/46/603729546.db2.gz	XBROBIMPPQUSKN-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(SC)c1C	ZINC000900343592	620665113	/nfs/dbraw/zinc/66/51/13/620665113.db2.gz	XLNPYQCTZYZKIB-UHFFFAOYSA-N	-1	0	294.376	2.821	20	30		CFEDRM
CC#CCOC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823521328	603995673	/nfs/dbraw/zinc/99/56/73/603995673.db2.gz	AUYYVFMXXALFGI-UHFFFAOYSA-N	-1	0	297.694	2.619	20	30		CFEDRM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)O[C@@H](C)C#N	ZINC000829192306	603996621	/nfs/dbraw/zinc/99/66/21/603996621.db2.gz	MZUIEEAQONUUEP-LURJTMIESA-N	-1	0	298.682	2.507	20	30		CFEDRM
N#Cc1ccc(CNc2cccc3c2CCN3C(=O)[O-])o1	ZINC000831126503	604021805	/nfs/dbraw/zinc/02/18/05/604021805.db2.gz	HVPONLZGFPECIP-UHFFFAOYSA-N	-1	0	283.287	2.804	20	30		CFEDRM
C[C@H](OC(=O)CC(C)(C)NC(=O)[O-])c1ccc(C#N)cc1	ZINC000825571628	604049016	/nfs/dbraw/zinc/04/90/16/604049016.db2.gz	PMQJJWYKPVEPAK-JTQLQIEISA-N	-1	0	290.319	2.599	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000823491572	604067006	/nfs/dbraw/zinc/06/70/06/604067006.db2.gz	XHHCWLAUCFGVQA-KGLIPLIRSA-N	-1	0	294.395	2.697	20	30		CFEDRM
C=CCCCC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000823497112	604248082	/nfs/dbraw/zinc/24/80/82/604248082.db2.gz	VVIOYFPYVGFMIH-UHFFFAOYSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=CCCCC(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000823496636	604254062	/nfs/dbraw/zinc/25/40/62/604254062.db2.gz	NMTXWOWFWZJDQV-UHFFFAOYSA-N	-1	0	276.336	2.792	20	30		CFEDRM
C#CCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605860	604268610	/nfs/dbraw/zinc/26/86/10/604268610.db2.gz	UVYKQCHXWFDNGE-UHFFFAOYSA-N	-1	0	282.683	2.772	20	30		CFEDRM
CC(C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000826759490	604300860	/nfs/dbraw/zinc/30/08/60/604300860.db2.gz	HAYFSVOHUIVVJI-OAHLLOKOSA-N	-1	0	292.310	2.582	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(CNc2ncccc2C#N)cc1	ZINC000825403650	604347512	/nfs/dbraw/zinc/34/75/12/604347512.db2.gz	XQGAKDKSJYUKEB-LLVKDONJSA-N	-1	0	296.330	2.894	20	30		CFEDRM
C=CCCCC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823496592	604450737	/nfs/dbraw/zinc/45/07/37/604450737.db2.gz	MGNSEJCDJDDTEJ-LBPRGKRZSA-N	-1	0	290.363	2.988	20	30		CFEDRM
C[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C(C)(C)C	ZINC000833408155	604582259	/nfs/dbraw/zinc/58/22/59/604582259.db2.gz	CVQXCPHPIGPQPU-JTQLQIEISA-N	-1	0	289.331	2.982	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1)OCC	ZINC000833368888	604597699	/nfs/dbraw/zinc/59/76/99/604597699.db2.gz	WPXPOERZGFBODA-AWEZNQCLSA-N	-1	0	292.331	2.799	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000832989991	604629918	/nfs/dbraw/zinc/62/99/18/604629918.db2.gz	KUZFLJKXDUXYBR-BQYQJAHWSA-N	-1	0	270.288	2.621	20	30		CFEDRM
Cc1ncccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833009393	604630775	/nfs/dbraw/zinc/63/07/75/604630775.db2.gz	SRLOLAZEKDDXFJ-HJWRWDBZSA-N	-1	0	267.284	2.984	20	30		CFEDRM
C=C[C@H](CC(=O)OC/C=C(/C)C(=O)[O-])c1ccccc1	ZINC000833371913	604730323	/nfs/dbraw/zinc/73/03/23/604730323.db2.gz	WVFDGAMMDNTYJJ-KIWPFMIBSA-N	-1	0	274.316	2.920	20	30		CFEDRM
O=C([O-])[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1	ZINC000833188793	604797005	/nfs/dbraw/zinc/79/70/05/604797005.db2.gz	IWFVGUUXRMVILQ-AWEZNQCLSA-N	-1	0	277.751	2.631	20	30		CFEDRM
Cc1cn(Cc2cc(C(=O)[O-])sc2C)cc1C#N	ZINC000832985440	604811135	/nfs/dbraw/zinc/81/11/35/604811135.db2.gz	OCDLIACLDYWTNK-UHFFFAOYSA-N	-1	0	260.318	2.785	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833373372	604991842	/nfs/dbraw/zinc/99/18/42/604991842.db2.gz	MOTXACDRCPBBPP-QWRGUYRKSA-N	-1	0	257.330	2.567	20	30		CFEDRM
N#CC1CCC(CNC(=O)c2cccc(F)c2[O-])CC1	ZINC000935816297	649951562	/nfs/dbraw/zinc/95/15/62/649951562.db2.gz	HFIPHYBALGXHAY-UHFFFAOYSA-N	-1	0	276.311	2.591	20	30		CFEDRM
C#CCOc1ccc(N[C@@H](CCCC)C(=O)[O-])cc1	ZINC000833367282	605005584	/nfs/dbraw/zinc/00/55/84/605005584.db2.gz	UHGDWIHIVCRWBD-AWEZNQCLSA-N	-1	0	261.321	2.754	20	30		CFEDRM
C#CCCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC000236472290	605006822	/nfs/dbraw/zinc/00/68/22/605006822.db2.gz	UBLXKKQPAHEMNB-UHFFFAOYSA-N	-1	0	285.343	2.858	20	30		CFEDRM
COc1ccc(C#N)cc1CSC[C@@H](C)C(=O)[O-]	ZINC000130194200	605010913	/nfs/dbraw/zinc/01/09/13/605010913.db2.gz	BTFPLUBPKNWYFJ-SECBINFHSA-N	-1	0	265.334	2.521	20	30		CFEDRM
C#CCCCCC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000232893448	605013610	/nfs/dbraw/zinc/01/36/10/605013610.db2.gz	HJAFXVOLUHQDLW-UHFFFAOYSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C=C[C@H](CC(=O)O[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000833370944	605017416	/nfs/dbraw/zinc/01/74/16/605017416.db2.gz	JLJXHNOMARKPTM-YPMHNXCESA-N	-1	0	262.305	2.753	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000833362766	605019844	/nfs/dbraw/zinc/01/98/44/605019844.db2.gz	JYMZDUVBYLHOSF-UHFFFAOYSA-N	-1	0	278.279	2.761	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1cc(F)cc(F)c1	ZINC000833406004	605039783	/nfs/dbraw/zinc/03/97/83/605039783.db2.gz	JJAJPCHUVGKGPB-VIFPVBQESA-N	-1	0	293.273	2.858	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833373811	605076372	/nfs/dbraw/zinc/07/63/72/605076372.db2.gz	DNPSVRLXJYCOGM-JTQLQIEISA-N	-1	0	279.311	2.999	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405306405	605085690	/nfs/dbraw/zinc/08/56/90/605085690.db2.gz	XPBFUJSRTTUCQA-STQMWFEESA-N	-1	0	294.395	2.628	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(F)c1	ZINC000812442273	605098369	/nfs/dbraw/zinc/09/83/69/605098369.db2.gz	WXDJNWIBURSQJB-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000063097061	605132337	/nfs/dbraw/zinc/13/23/37/605132337.db2.gz	HTVMUWAUGRKIFM-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
CC(C)(C)C[C@H](Sc1cc(C#N)ccn1)C(=O)[O-]	ZINC000833429033	605152807	/nfs/dbraw/zinc/15/28/07/605152807.db2.gz	FVEXOHABOIRSCN-JTQLQIEISA-N	-1	0	264.350	2.935	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833373920	605158378	/nfs/dbraw/zinc/15/83/78/605158378.db2.gz	JBAHKWYOZMOHSQ-VIFPVBQESA-N	-1	0	283.349	2.674	20	30		CFEDRM
N#Cc1ccc(CNc2ccc3c(c2)CCN3C(=O)[O-])o1	ZINC000831126579	605250359	/nfs/dbraw/zinc/25/03/59/605250359.db2.gz	KUBBXGVNOIDORC-UHFFFAOYSA-N	-1	0	283.287	2.804	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833374215	605303124	/nfs/dbraw/zinc/30/31/24/605303124.db2.gz	URDOCOPOWWFZHS-NSHDSACASA-N	-1	0	293.319	2.801	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC000833551893	605340249	/nfs/dbraw/zinc/34/02/49/605340249.db2.gz	UTTLEVXVKNNABS-HNNXBMFYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
Cc1ccc(C#N)c(NC[C@@H](NC(=O)[O-])c2ccccc2)n1	ZINC000833901232	605343896	/nfs/dbraw/zinc/34/38/96/605343896.db2.gz	HGHYGVIFMIAHTA-CQSZACIVSA-N	-1	0	296.330	2.683	20	30		CFEDRM
C=C(C)CN(C)CC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000833368127	605389269	/nfs/dbraw/zinc/38/92/69/605389269.db2.gz	ARAFFUCUPBTNGA-UHFFFAOYSA-N	-1	0	296.392	2.510	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccccc2C(=O)[O-])C1	ZINC000833551406	605417431	/nfs/dbraw/zinc/41/74/31/605417431.db2.gz	KDBYYJKDIWVDGO-OAHLLOKOSA-N	-1	0	258.321	2.510	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2cc(C(=O)[O-])ccc2F)C1	ZINC000833550810	605419164	/nfs/dbraw/zinc/41/91/64/605419164.db2.gz	DMYIAHZLOQPBDS-OAHLLOKOSA-N	-1	0	276.311	2.650	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])N=Nc1cnccn1	ZINC000824759252	605474082	/nfs/dbraw/zinc/47/40/82/605474082.db2.gz	JXLCTHDIGXIKAC-GFCCVEGCSA-N	-1	0	291.355	2.577	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(c2c(Cl)cccc2C#N)C1	ZINC000833817269	605500350	/nfs/dbraw/zinc/50/03/50/605500350.db2.gz	LDPMPWCIGNFBNS-GXSJLCMTSA-N	-1	0	293.754	2.694	20	30		CFEDRM
Cc1ccc(C#N)cc1NCc1c[nH]c(C(=O)[O-])c1	ZINC000833747209	605546506	/nfs/dbraw/zinc/54/65/06/605546506.db2.gz	DFGWYRWYSUVUMV-UHFFFAOYSA-N	-1	0	255.277	2.505	20	30		CFEDRM
C#CCCCCCC(=O)Oc1cc(OC)ccc1C(=O)[O-]	ZINC000833361624	605575446	/nfs/dbraw/zinc/57/54/46/605575446.db2.gz	DRORSSJQLFWPLI-UHFFFAOYSA-N	-1	0	290.315	2.883	20	30		CFEDRM
C#CCCCCCC(=O)OCc1ccc(C(=O)[O-])o1	ZINC000833361887	605595927	/nfs/dbraw/zinc/59/59/27/605595927.db2.gz	QQKOQDQBLHOFGC-UHFFFAOYSA-N	-1	0	264.277	2.605	20	30		CFEDRM
C#CCCCCCC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000819700733	605614510	/nfs/dbraw/zinc/61/45/10/605614510.db2.gz	GITMLUVIWAHRGW-UHFFFAOYSA-N	-1	0	273.332	2.688	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC000231028169	605834030	/nfs/dbraw/zinc/83/40/30/605834030.db2.gz	BSXVAIIYYIBXLG-UHFFFAOYSA-N	-1	0	278.327	2.896	20	30		CFEDRM
N#CCC1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1	ZINC000833969129	605933105	/nfs/dbraw/zinc/93/31/05/605933105.db2.gz	RGBHSVNTROOSFQ-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CCCCCN=Nc1oc(C(C)C)nc1-c1nnn[n-]1	ZINC000825266422	607887930	/nfs/dbraw/zinc/88/79/30/607887930.db2.gz	FXQAUCOBLLNIHB-UHFFFAOYSA-N	-1	0	277.332	2.566	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC)OC)cc1	ZINC000049460691	617605267	/nfs/dbraw/zinc/60/52/67/617605267.db2.gz	CBHGHQCNTLAOOO-ZDUSSCGKSA-N	-1	0	299.392	2.709	20	30		CFEDRM
N#Cc1ccc2nc(N[C@H]3CCC[C@H]3C(=O)[O-])ccc2c1	ZINC000900978267	620736897	/nfs/dbraw/zinc/73/68/97/620736897.db2.gz	DHLKTISVMLLGAW-OCCSQVGLSA-N	-1	0	281.315	2.772	20	30		CFEDRM
Cc1nc(N[C@@H]2Cc3ccc(C#N)cc3C2)sc1C(=O)[O-]	ZINC000900965689	620738272	/nfs/dbraw/zinc/73/82/72/620738272.db2.gz	MZZSKOFGUXDJAL-GFCCVEGCSA-N	-1	0	299.355	2.601	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000890557634	617651015	/nfs/dbraw/zinc/65/10/15/617651015.db2.gz	CZTRQCJIOLSQIG-SNVBAGLBSA-N	-1	0	274.345	2.907	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000890649549	617734713	/nfs/dbraw/zinc/73/47/13/617734713.db2.gz	DUKVOIJNDWBFEB-SNVBAGLBSA-N	-1	0	281.714	2.813	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc(OC)c(O)c(OC)c1	ZINC000890811418	617909629	/nfs/dbraw/zinc/90/96/29/617909629.db2.gz	DWQXMOKBFBLDBL-UHFFFAOYSA-N	-1	0	293.363	2.838	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000890812495	617910324	/nfs/dbraw/zinc/91/03/24/617910324.db2.gz	LQDRRXCKDWONSP-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
CS[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000901204908	620764576	/nfs/dbraw/zinc/76/45/76/620764576.db2.gz	HQMYMZPNQSFAMP-LLVKDONJSA-N	-1	0	279.365	2.853	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(Cl)cc2C#N)C1	ZINC000263271701	617975609	/nfs/dbraw/zinc/97/56/09/617975609.db2.gz	WCHDKFBFKCOUMC-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(C)c1Br)C(=O)[O-]	ZINC000901246964	620771319	/nfs/dbraw/zinc/77/13/19/620771319.db2.gz	VSCANZNHOXNARZ-SNVBAGLBSA-N	-1	0	299.168	2.544	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NOCCC(F)(F)F	ZINC000901222574	620773367	/nfs/dbraw/zinc/77/33/67/620773367.db2.gz	LTEGPTBJOHEVAH-UHFFFAOYSA-N	-1	0	291.225	2.696	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)o1	ZINC000255551636	618105295	/nfs/dbraw/zinc/10/52/95/618105295.db2.gz	CXRSAOYYPWFWMY-UTCJRWHESA-N	-1	0	290.246	2.807	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000846536656	618108730	/nfs/dbraw/zinc/10/87/30/618108730.db2.gz	VQWDEDFBNVCZSV-UHFFFAOYSA-N	-1	0	277.217	2.681	20	30		CFEDRM
Cc1ccc(C=NN2CCCC[C@@H]2C)cc1C(=O)[O-]	ZINC000901261462	620777538	/nfs/dbraw/zinc/77/75/38/620777538.db2.gz	JJLRPJHPDLUSLX-LBPRGKRZSA-N	-1	0	260.337	2.902	20	30		CFEDRM
CCc1onc(C)c1C=NNc1ccc(CC(=O)[O-])cc1	ZINC000901262427	620777587	/nfs/dbraw/zinc/77/75/87/620777587.db2.gz	XPIDBLSMKOYZJM-UHFFFAOYSA-N	-1	0	287.319	2.619	20	30		CFEDRM
C[C@@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000161538892	618131763	/nfs/dbraw/zinc/13/17/63/618131763.db2.gz	GVKNZLZPAMGLGY-SNVBAGLBSA-N	-1	0	299.355	2.778	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2=COCCC2)cc1C	ZINC000077209029	618155803	/nfs/dbraw/zinc/15/58/03/618155803.db2.gz	AZUZSHVFCNTPJL-UHFFFAOYSA-N	-1	0	295.360	2.643	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCOC1	ZINC000178886010	618158871	/nfs/dbraw/zinc/15/88/71/618158871.db2.gz	LZGSRAQVXJXVNH-QFKBZZQOSA-N	-1	0	260.120	2.907	20	30		CFEDRM
Cc1cccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176826946	618207445	/nfs/dbraw/zinc/20/74/45/618207445.db2.gz	XXXOBVZMHSATIN-GFCCVEGCSA-N	-1	0	296.326	2.978	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CSCc2cccnc2)c1	ZINC000176827587	618207699	/nfs/dbraw/zinc/20/76/99/618207699.db2.gz	COWQNSJOCIAJER-UHFFFAOYSA-N	-1	0	299.355	2.531	20	30		CFEDRM
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000077956770	618212512	/nfs/dbraw/zinc/21/25/12/618212512.db2.gz	YDGYRECFCQOCPE-SNVBAGLBSA-N	-1	0	259.371	2.675	20	30		CFEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000049178124	618252307	/nfs/dbraw/zinc/25/23/07/618252307.db2.gz	CVSLRTXWKYMCAX-LBPRGKRZSA-N	-1	0	299.392	2.678	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC1CC1	ZINC000892424467	618253756	/nfs/dbraw/zinc/25/37/56/618253756.db2.gz	OGSYBESKTHVHNT-ZDUSSCGKSA-N	-1	0	296.326	2.547	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)co1	ZINC000892464666	618302654	/nfs/dbraw/zinc/30/26/54/618302654.db2.gz	IIQATSDQZWRRMM-GFCCVEGCSA-N	-1	0	276.336	2.607	20	30		CFEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1cc(O)ccc1[O-]	ZINC000255842345	618334253	/nfs/dbraw/zinc/33/42/53/618334253.db2.gz	GOCYLCUHRWEFJA-IWQZZHSRSA-N	-1	0	291.284	2.964	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccccc1[O-]	ZINC000255845967	618339201	/nfs/dbraw/zinc/33/92/01/618339201.db2.gz	ZUNGHWGMBSLHPD-HJWRWDBZSA-N	-1	0	256.305	2.584	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2OCCc3ccccc32)c1	ZINC000179739389	618343090	/nfs/dbraw/zinc/34/30/90/618343090.db2.gz	DKIOSEMBKNUXSB-INIZCTEOSA-N	-1	0	294.310	2.516	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCc2ccccn2)c1	ZINC000178764013	618365748	/nfs/dbraw/zinc/36/57/48/618365748.db2.gz	KKSFXEAXLWDMFM-LFIBNONCSA-N	-1	0	285.303	2.747	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909462806	618366001	/nfs/dbraw/zinc/36/60/01/618366001.db2.gz	NLNQCPRUKAAMCJ-MRXNPFEDSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NC[C@@H](C)CC(=O)[O-]	ZINC000909485026	618412655	/nfs/dbraw/zinc/41/26/55/618412655.db2.gz	JYDBDMYPEFINCX-NSHDSACASA-N	-1	0	293.388	2.805	20	30		CFEDRM
C=CCCCCCCNC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000312679540	618415348	/nfs/dbraw/zinc/41/53/48/618415348.db2.gz	ZJNZOZYSHXTHIL-OLZOCXBDSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000856030502	618422858	/nfs/dbraw/zinc/42/28/58/618422858.db2.gz	GRNHWWFNYRHPRJ-UHFFFAOYSA-N	-1	0	259.227	2.541	20	30		CFEDRM
CCCCCCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000147265298	618438439	/nfs/dbraw/zinc/43/84/39/618438439.db2.gz	UYFVOPCANUXGHP-CYBMUJFWSA-N	-1	0	284.400	2.853	20	30		CFEDRM
CC(=NOCCC1CC1)c1cccc(OCC(=O)[O-])c1	ZINC000814245866	618471216	/nfs/dbraw/zinc/47/12/16/618471216.db2.gz	KXAKXOKVTIUYNK-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
Cc1ccc(NN=Cc2ccc(OCCC(=O)[O-])cc2)nc1	ZINC000727260067	618476160	/nfs/dbraw/zinc/47/61/60/618476160.db2.gz	PRVSLVSUUJEVTO-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
CC[C@@H](NN=Cc1c(F)cc(C)cc1Cl)C(=O)[O-]	ZINC000841642550	618645246	/nfs/dbraw/zinc/64/52/46/618645246.db2.gz	VFTKNLYKIJNFOK-LLVKDONJSA-N	-1	0	272.707	2.574	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2	ZINC000893092357	618829299	/nfs/dbraw/zinc/82/92/99/618829299.db2.gz	JOUAZRJNLQOGRL-WXRRBKDZSA-N	-1	0	299.436	2.613	20	30		CFEDRM
C#CCCCCNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000314518738	618837700	/nfs/dbraw/zinc/83/77/00/618837700.db2.gz	OIRSDBYQPSFEDB-CQSZACIVSA-N	-1	0	294.395	2.513	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cccc(CC(=O)[O-])c2)C1	ZINC000909332106	618946915	/nfs/dbraw/zinc/94/69/15/618946915.db2.gz	ITDKDYLLNQVSAL-UHFFFAOYSA-N	-1	0	259.305	2.609	20	30		CFEDRM
C#CCN(CC#C)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000093461488	619026048	/nfs/dbraw/zinc/02/60/48/619026048.db2.gz	ZPNBTTYJNGPZAZ-UHFFFAOYSA-N	-1	0	268.143	2.767	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC1CCCC1	ZINC000814832515	619263038	/nfs/dbraw/zinc/26/30/38/619263038.db2.gz	HCMGSLISZBQAAI-UHFFFAOYSA-N	-1	0	260.337	2.868	20	30		CFEDRM
CCC(C)(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000726832201	619264946	/nfs/dbraw/zinc/26/49/46/619264946.db2.gz	SRPXDLPTUIKCJS-JTQLQIEISA-N	-1	0	294.376	2.607	20	30		CFEDRM
N#C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000928218218	619323633	/nfs/dbraw/zinc/32/36/33/619323633.db2.gz	ZCWSRPCDTVOPDS-VIFPVBQESA-N	-1	0	298.264	2.787	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000048472859	619341808	/nfs/dbraw/zinc/34/18/08/619341808.db2.gz	GWEAAMJSWCPCRG-VIFPVBQESA-N	-1	0	283.349	2.581	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519183	619349561	/nfs/dbraw/zinc/34/95/61/619349561.db2.gz	HHVQFYDQIQUJRO-QMMMGPOBSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CCCC(O)(CCC)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000159723940	619365707	/nfs/dbraw/zinc/36/57/07/619365707.db2.gz	HRORVZNWQJHGME-UHFFFAOYSA-N	-1	0	290.363	2.924	20	30		CFEDRM
C=CCN(CCC#N)Cc1cc(F)cc(F)c1[O-]	ZINC000894837135	619478887	/nfs/dbraw/zinc/47/88/87/619478887.db2.gz	KDRPFYAEPFIWBO-UHFFFAOYSA-N	-1	0	252.264	2.572	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(C)c(C)cc1C)C(=O)[O-]	ZINC000793081244	619508485	/nfs/dbraw/zinc/50/84/85/619508485.db2.gz	IQRGZYRUVLHNAJ-CQSZACIVSA-N	-1	0	262.353	2.789	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000896505594	619752771	/nfs/dbraw/zinc/75/27/71/619752771.db2.gz	OLUMUEMSIFXENZ-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCOC3(CCC3)C2)c1	ZINC000896821281	619830182	/nfs/dbraw/zinc/83/01/82/619830182.db2.gz	RHUVVIRCIZFCRG-GFCCVEGCSA-N	-1	0	286.331	2.552	20	30		CFEDRM
Cc1ncc(CO)c(/C=N\C[C@H]2CCCCC2(F)F)c1O	ZINC000840707403	619865995	/nfs/dbraw/zinc/86/59/95/619865995.db2.gz	OYQGRYJEECIXAD-DREQZYJFSA-N	-1	0	298.333	2.832	20	30		CFEDRM
CC[C@H](C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840707578	619867785	/nfs/dbraw/zinc/86/77/85/619867785.db2.gz	PXBNMYXFNVEOIO-IUYSQWDXSA-N	-1	0	280.324	2.780	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCC2CCOCC2)c1	ZINC000840708555	619880329	/nfs/dbraw/zinc/88/03/29/619880329.db2.gz	YASURVSXKZYKOD-WJDWOHSUSA-N	-1	0	292.335	2.926	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000909571872	619912936	/nfs/dbraw/zinc/91/29/36/619912936.db2.gz	FRCVACNIGAZKQL-SDBXPKJASA-N	-1	0	283.274	2.590	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccncc1)C1CCCC1	ZINC000898281008	620364253	/nfs/dbraw/zinc/36/42/53/620364253.db2.gz	NOADNVIWAKKGIE-WFASDCNBSA-N	-1	0	274.364	2.978	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)[N-]Oc1ccc(F)cc1)OCC	ZINC000898572691	620478601	/nfs/dbraw/zinc/47/86/01/620478601.db2.gz	BWRPSEFFDZVZED-CYBMUJFWSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](c1ccncc1)C1CCCC1	ZINC000898938874	620508716	/nfs/dbraw/zinc/50/87/16/620508716.db2.gz	BOQDQTSWDLXZJA-HNNXBMFYSA-N	-1	0	274.364	2.979	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCCc1ccccc1C(=O)[O-]	ZINC000899304314	620543128	/nfs/dbraw/zinc/54/31/28/620543128.db2.gz	VYTWJNYJGBERMB-LBPRGKRZSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2ncnc(Cl)c2C(C)C)[n-]1	ZINC000899352554	620547978	/nfs/dbraw/zinc/54/79/78/620547978.db2.gz	KGZXPZFLZPUNJL-UHFFFAOYSA-N	-1	0	290.754	2.760	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2c3c(nn2C)CCC3)c([O-])c1	ZINC000899363494	620551112	/nfs/dbraw/zinc/55/11/12/620551112.db2.gz	NVKPDQSOJWZVNT-HJWRWDBZSA-N	-1	0	282.343	2.819	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)ccc2F)c(=O)c1CCC#N	ZINC000899362086	620553098	/nfs/dbraw/zinc/55/30/98/620553098.db2.gz	JVNDUQWBBKSWIC-JTQLQIEISA-N	-1	0	263.247	2.607	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cn(C)nc2C2CC2)c([O-])c1	ZINC000899361915	620553180	/nfs/dbraw/zinc/55/31/80/620553180.db2.gz	FOIIJTRPCGDRNV-VMPITWQZSA-N	-1	0	298.342	2.908	20	30		CFEDRM
O=C(/C=C/c1ccnn1C1CCC1)c1ccc(O)cc1[O-]	ZINC000899362507	620553553	/nfs/dbraw/zinc/55/35/53/620553553.db2.gz	VVJSTBTVCAFPOU-QPJJXVBHSA-N	-1	0	284.315	2.915	20	30		CFEDRM
Cc1[n-]n(-c2c(F)cc(F)cc2F)c(=O)c1CCC#N	ZINC000899362441	620553604	/nfs/dbraw/zinc/55/36/04/620553604.db2.gz	UAEDLJLOHIYDFA-VIFPVBQESA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])nc2)cnn1C(C)C	ZINC000899368662	620555300	/nfs/dbraw/zinc/55/53/00/620555300.db2.gz	KXGIWZRPPXZCEC-FNORWQNLSA-N	-1	0	299.330	2.762	20	30		CFEDRM
Cc1ccc(/C=C\C(=O)c2cn(C(C)C)nn2)cc1C(=O)[O-]	ZINC000899384948	620557364	/nfs/dbraw/zinc/55/73/64/620557364.db2.gz	QKGSQNJIBQXYFB-SREVYHEPSA-N	-1	0	299.330	2.762	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042249747	620586270	/nfs/dbraw/zinc/58/62/70/620586270.db2.gz	YPNUDRSHPNWGQB-SNVBAGLBSA-N	-1	0	283.324	2.827	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1sccc1C#N	ZINC000899761996	620597928	/nfs/dbraw/zinc/59/79/28/620597928.db2.gz	MGCPTRSEKODJTR-JTQLQIEISA-N	-1	0	280.349	2.695	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)NCC(C)(C)CCC#N	ZINC000899782191	620598622	/nfs/dbraw/zinc/59/86/22/620598622.db2.gz	KNSOIXXQDHVHBU-GFCCVEGCSA-N	-1	0	282.384	2.570	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c1	ZINC000899853939	620606786	/nfs/dbraw/zinc/60/67/86/620606786.db2.gz	BXUTZNVLHQDNDU-MRXNPFEDSA-N	-1	0	289.331	2.540	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000901449183	620824565	/nfs/dbraw/zinc/82/45/65/620824565.db2.gz	HXCOCITYTLJFQR-OSAQELSMSA-N	-1	0	257.333	2.969	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc2ccccc2n1CCC	ZINC000901586529	620862343	/nfs/dbraw/zinc/86/23/43/620862343.db2.gz	MRUXPOUEHKWGTJ-UHFFFAOYSA-N	-1	0	287.363	2.519	20	30		CFEDRM
N#CC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCCC1	ZINC000901574174	620866876	/nfs/dbraw/zinc/86/68/76/620866876.db2.gz	VGAPZRUXZGWTIJ-ZDUSSCGKSA-N	-1	0	292.379	2.564	20	30		CFEDRM
C=CCC[C@@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000901692357	620896252	/nfs/dbraw/zinc/89/62/52/620896252.db2.gz	LMOREJZCWPQZMB-SNVBAGLBSA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000902057943	620971075	/nfs/dbraw/zinc/97/10/75/620971075.db2.gz	IXOXWEAHNGWTBO-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000902137004	620980173	/nfs/dbraw/zinc/98/01/73/620980173.db2.gz	XJOTYMDFPRDGIY-GFCCVEGCSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccccc1C(=O)[O-]	ZINC000902379262	621047696	/nfs/dbraw/zinc/04/76/96/621047696.db2.gz	WKHNHYHQBMZHTL-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000902698608	621149657	/nfs/dbraw/zinc/14/96/57/621149657.db2.gz	PARUOPXCHWVVKU-OCCSQVGLSA-N	-1	0	275.348	2.921	20	30		CFEDRM
CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(CCC#N)cc1	ZINC000902839502	621188705	/nfs/dbraw/zinc/18/87/05/621188705.db2.gz	SLYSCGNJQDPCKC-CYBMUJFWSA-N	-1	0	288.347	2.828	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc(C)c(C(C)(C)C)s1	ZINC000903895197	621465630	/nfs/dbraw/zinc/46/56/30/621465630.db2.gz	CLIBEBTXNDZFGM-UHFFFAOYSA-N	-1	0	282.409	2.822	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000832732248	625500662	/nfs/dbraw/zinc/50/06/62/625500662.db2.gz	CGOMUULOLHZUSX-RISCZKNCSA-N	-1	0	250.342	2.554	20	30		CFEDRM
C[N@@H+]1CC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003496	621680234	/nfs/dbraw/zinc/68/02/34/621680234.db2.gz	TZQYUDWOXZBVNH-UWJMNNEMSA-N	-1	0	273.163	2.822	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000905018212	621682641	/nfs/dbraw/zinc/68/26/41/621682641.db2.gz	UFEXFRTWHHFZIN-GFCCVEGCSA-N	-1	0	298.289	2.896	20	30		CFEDRM
CC(=NNCCOC(C)C)c1ccc(O)cc1Cl	ZINC000905462010	621778729	/nfs/dbraw/zinc/77/87/29/621778729.db2.gz	YTDGVDGASHCUFZ-UHFFFAOYSA-N	-1	0	270.760	2.784	20	30		CFEDRM
C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]S(C)(=O)=O)sc21	ZINC000906074556	621929090	/nfs/dbraw/zinc/92/90/90/621929090.db2.gz	HXOBFAOJGWFDPP-JGVFFNPUSA-N	-1	0	284.406	2.677	20	30		CFEDRM
COc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])cc1C#N	ZINC000906251449	621959886	/nfs/dbraw/zinc/95/98/86/621959886.db2.gz	VCCQEOHBKGTXJA-UHFFFAOYSA-N	-1	0	285.303	2.709	20	30		CFEDRM
CC(C)n1cc(-c2ccc(C#N)s2)c(C(=O)[O-])n1	ZINC000906238278	621963596	/nfs/dbraw/zinc/96/35/96/621963596.db2.gz	MLZBKAWSEZBBRK-UHFFFAOYSA-N	-1	0	261.306	2.762	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000906498712	621993536	/nfs/dbraw/zinc/99/35/36/621993536.db2.gz	COQDWKHPHLQYKR-UHFFFAOYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000907576144	622137762	/nfs/dbraw/zinc/13/77/62/622137762.db2.gz	ZTDMGNDFXWCPEM-IUODEOHRSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000907623190	622142649	/nfs/dbraw/zinc/14/26/49/622142649.db2.gz	IIKWXFKKXDQNEF-LBPRGKRZSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CC1(CC(=O)NC[C@H](C)CC(=O)[O-])CCCCC1	ZINC000907627736	622143139	/nfs/dbraw/zinc/14/31/39/622143139.db2.gz	HEJAFKVMTXLGCL-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])CCCCC1	ZINC000907652953	622147440	/nfs/dbraw/zinc/14/74/40/622147440.db2.gz	QTUHMUFLHQLLQU-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000907646427	622151106	/nfs/dbraw/zinc/15/11/06/622151106.db2.gz	SBPFJZXZEVQOAQ-CXAGYDPISA-N	-1	0	289.375	2.747	20	30		CFEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000073086777	625771351	/nfs/dbraw/zinc/77/13/51/625771351.db2.gz	JSDRHGGQEZKCAX-QMMMGPOBSA-N	-1	0	261.368	2.685	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-]	ZINC000907743226	622155729	/nfs/dbraw/zinc/15/57/29/622155729.db2.gz	ILAHWTWUXIXFBH-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000907732157	622157536	/nfs/dbraw/zinc/15/75/36/622157536.db2.gz	SVNSUALVJPGGSU-IUCAKERBSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CC1(CC(=O)NC2CC(CC(=O)[O-])C2)CCCCC1	ZINC000907776965	622162654	/nfs/dbraw/zinc/16/26/54/622162654.db2.gz	PFIXJZCMGJDBJZ-UHFFFAOYSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000908031254	622188702	/nfs/dbraw/zinc/18/87/02/622188702.db2.gz	SFUPJSBGNMAMAV-JTQLQIEISA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(C(=O)[O-])s1	ZINC000908220094	622202702	/nfs/dbraw/zinc/20/27/02/622202702.db2.gz	GNTJQWBUFZFASW-UHFFFAOYSA-N	-1	0	267.350	2.875	20	30		CFEDRM
C=C1CC(C)(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)C1	ZINC000908236853	622206597	/nfs/dbraw/zinc/20/65/97/622206597.db2.gz	ZPNGKUKFDJNTMT-CQSZACIVSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908237861	622207114	/nfs/dbraw/zinc/20/71/14/622207114.db2.gz	QLEQAZIYOHLCMJ-WMLDXEAASA-N	-1	0	289.375	2.791	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OC/C=C/Cl)CC2CCC1CC2	ZINC000908314239	622213725	/nfs/dbraw/zinc/21/37/25/622213725.db2.gz	VMBIKHKYJOQIIG-UXIUQIPESA-N	-1	0	268.744	2.507	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000908597656	622248787	/nfs/dbraw/zinc/24/87/87/622248787.db2.gz	HVIZGPGGZRFOBS-HUUCEWRRSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000908734009	622269210	/nfs/dbraw/zinc/26/92/10/622269210.db2.gz	RLAFVEANNAGLEY-AWEZNQCLSA-N	-1	0	275.348	2.558	20	30		CFEDRM
C#CCCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000908888852	622284376	/nfs/dbraw/zinc/28/43/76/622284376.db2.gz	SMIYGIZXOXWIEW-UHFFFAOYSA-N	-1	0	293.750	2.557	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000908905379	622285894	/nfs/dbraw/zinc/28/58/94/622285894.db2.gz	WGBOPBPNHJQBKN-UHFFFAOYSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000909001273	622297099	/nfs/dbraw/zinc/29/70/99/622297099.db2.gz	HLVSKBCEGRLFID-CQSZACIVSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=CCCCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000909123301	622315356	/nfs/dbraw/zinc/31/53/56/622315356.db2.gz	QMRGNMWIDLIDJT-MRXNPFEDSA-N	-1	0	290.363	2.642	20	30		CFEDRM
C=CCCCNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909122641	622315366	/nfs/dbraw/zinc/31/53/66/622315366.db2.gz	DGMGXCKSBVWESK-AWEZNQCLSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909122642	622315399	/nfs/dbraw/zinc/31/53/99/622315399.db2.gz	DGMGXCKSBVWESK-CQSZACIVSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C#CCC1(C(=O)NC2CCC(C(=O)[O-])CC2)CCCCC1	ZINC000909158822	622320363	/nfs/dbraw/zinc/32/03/63/622320363.db2.gz	ZZVRQKPTUFMZND-UHFFFAOYSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000909197824	622325225	/nfs/dbraw/zinc/32/52/25/622325225.db2.gz	SZHAKWNTTWWDOU-UHFFFAOYSA-N	-1	0	298.342	2.858	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237230	622330659	/nfs/dbraw/zinc/33/06/59/622330659.db2.gz	GIBDMZRSXAJVKI-CQSZACIVSA-N	-1	0	289.375	2.567	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909250999	622332142	/nfs/dbraw/zinc/33/21/42/622332142.db2.gz	TYVRAUUUTWAEAG-RHSMWYFYSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909292772	622336032	/nfs/dbraw/zinc/33/60/32/622336032.db2.gz	BAJFVGYJDDGEIP-CYBMUJFWSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000909303069	622341061	/nfs/dbraw/zinc/34/10/61/622341061.db2.gz	INERYOGXVDHQRL-PBHICJAKSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](SC)c1ccccc1)C(=O)[O-]	ZINC000909713468	622344547	/nfs/dbraw/zinc/34/45/47/622344547.db2.gz	QVRQKRHJBZHXFI-QWHCGFSZSA-N	-1	0	293.388	2.626	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000909717992	622346076	/nfs/dbraw/zinc/34/60/76/622346076.db2.gz	KVCHLAAPTLQGJS-LLVKDONJSA-N	-1	0	283.274	2.773	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000909790310	622353044	/nfs/dbraw/zinc/35/30/44/622353044.db2.gz	BNSFDXTYNCTRRK-INIZCTEOSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1	ZINC000909809314	622354836	/nfs/dbraw/zinc/35/48/36/622354836.db2.gz	SIEYDCYWAQAMII-QEJZJMRPSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccoc1CC(=O)[O-]	ZINC000909932073	622372689	/nfs/dbraw/zinc/37/26/89/622372689.db2.gz	IKEXPZVUOBSQSK-WCQYABFASA-N	-1	0	291.347	2.771	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000909933696	622374089	/nfs/dbraw/zinc/37/40/89/622374089.db2.gz	ZOZITWYZYTUDRK-JHJVBQTASA-N	-1	0	267.369	2.594	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H](CCCC=C)c1ccccc1)C(=O)[O-]	ZINC000910048392	622396553	/nfs/dbraw/zinc/39/65/53/622396553.db2.gz	KRSQWPOFFPZHPN-HZPDHXFCSA-N	-1	0	299.370	2.719	20	30		CFEDRM
C=C1CCC(C(=O)N(CC(=O)[O-])C2CCCC2)CC1	ZINC000910061398	622398843	/nfs/dbraw/zinc/39/88/43/622398843.db2.gz	JMTCEGNRUHRUOB-UHFFFAOYSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910066050	622400091	/nfs/dbraw/zinc/40/00/91/622400091.db2.gz	JZKJEDHGEVNUIC-QGZVFWFLSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000910095140	622404856	/nfs/dbraw/zinc/40/48/56/622404856.db2.gz	OMQADPBWQLJMNL-ZDUSSCGKSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C1CCC(C(=O)N2CCC[C@@]2(CCC)C(=O)[O-])CC1	ZINC000910112874	622406571	/nfs/dbraw/zinc/40/65/71/622406571.db2.gz	BIUVYEONHPHNFM-INIZCTEOSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910269418	622422197	/nfs/dbraw/zinc/42/21/97/622422197.db2.gz	AZYFWMGZYPGEKC-NEPJUHHUSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)C1CCCC1)C(=O)[O-]	ZINC000910272778	622422716	/nfs/dbraw/zinc/42/27/16/622422716.db2.gz	VTIZBYLKYGTDFP-KOLCDFICSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000910288721	622426268	/nfs/dbraw/zinc/42/62/68/622426268.db2.gz	ZEIMHEQSOGWORU-LLVKDONJSA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910291391	622430162	/nfs/dbraw/zinc/43/01/62/622430162.db2.gz	HUPQEDIHSIODFK-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1coc2ccccc12)C(=O)[O-]	ZINC000910291875	622430191	/nfs/dbraw/zinc/43/01/91/622430191.db2.gz	LKUNRVBVXFHGTD-ZDUSSCGKSA-N	-1	0	287.315	2.511	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000910292467	622430211	/nfs/dbraw/zinc/43/02/11/622430211.db2.gz	PMGILEZJEDRWOE-HIJJYWJESA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000910295475	622431354	/nfs/dbraw/zinc/43/13/54/622431354.db2.gz	WFWYNZGTYFDPOZ-VIFPVBQESA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1ccoc1CC(=O)[O-]	ZINC000910378994	622439364	/nfs/dbraw/zinc/43/93/64/622439364.db2.gz	JUVXRLHLLXLMRB-UHFFFAOYSA-N	-1	0	279.336	2.629	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910645192	622463971	/nfs/dbraw/zinc/46/39/71/622463971.db2.gz	XGEULRNGUQOPMS-CYBMUJFWSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=CCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910737233	622472116	/nfs/dbraw/zinc/47/21/16/622472116.db2.gz	RRVLEAMTNWYZOL-UHFFFAOYSA-N	-1	0	266.322	2.623	20	30		CFEDRM
C=C[C@@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC000910806028	622480058	/nfs/dbraw/zinc/48/00/58/622480058.db2.gz	CJISPGRHTUWVCJ-OWYJLGKBSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(F)cc1C)C(=O)[O-]	ZINC000910912903	622485827	/nfs/dbraw/zinc/48/58/27/622485827.db2.gz	QBINVCQVWJEVGA-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cscc1C)C(=O)[O-]	ZINC000910912904	622485837	/nfs/dbraw/zinc/48/58/37/622485837.db2.gz	QEEOXTVELPANHU-LLVKDONJSA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1csc(C(C)C)n1)C(=O)[O-]	ZINC000910914693	622486283	/nfs/dbraw/zinc/48/62/83/622486283.db2.gz	MXRVYFARAPCOSQ-JTQLQIEISA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1C=CCCC1)C(=O)[O-]	ZINC000910916692	622486531	/nfs/dbraw/zinc/48/65/31/622486531.db2.gz	IHFWGPSSSARZSC-OLZOCXBDSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC(C)(C)C1CC1)C(=O)[O-]	ZINC000910915809	622486669	/nfs/dbraw/zinc/48/66/69/622486669.db2.gz	BAIVYVPVQXGUEX-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(O)ccc1Cl)C(=O)[O-]	ZINC000910916110	622486746	/nfs/dbraw/zinc/48/67/46/622486746.db2.gz	TZOZMSKPNULOJA-GFCCVEGCSA-N	-1	0	297.738	2.585	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1cc(C)ccc1F)C(=O)[O-]	ZINC000910916294	622486767	/nfs/dbraw/zinc/48/67/67/622486767.db2.gz	UNSAPSVVNQQQOX-CQSZACIVSA-N	-1	0	293.338	2.602	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1C=CCCC1)C(=O)[O-]	ZINC000910916693	622486835	/nfs/dbraw/zinc/48/68/35/622486835.db2.gz	IHFWGPSSSARZSC-QWHCGFSZSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccsc1C)C(=O)[O-]	ZINC000910916833	622486864	/nfs/dbraw/zinc/48/68/64/622486864.db2.gz	IWZJQLXQDDYCGZ-LLVKDONJSA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CSc1ccccc1)C(=O)[O-]	ZINC000910919577	622487114	/nfs/dbraw/zinc/48/71/14/622487114.db2.gz	YEYXQFMFJQEVQH-ZDUSSCGKSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/C(=C\C)CC)C(=O)[O-]	ZINC000910918040	622487132	/nfs/dbraw/zinc/48/71/32/622487132.db2.gz	WKRRGJJJVLGHGS-NYGZMSGPSA-N	-1	0	265.353	2.825	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(F)ccc1C)C(=O)[O-]	ZINC000910918916	622487257	/nfs/dbraw/zinc/48/72/57/622487257.db2.gz	QKTCWBIQHWSIMJ-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000910918910	622487359	/nfs/dbraw/zinc/48/73/59/622487359.db2.gz	QDNAZIFKBQYOCT-CYBMUJFWSA-N	-1	0	295.404	2.997	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)cc1C)C(=O)[O-]	ZINC000910919222	622487400	/nfs/dbraw/zinc/48/74/00/622487400.db2.gz	UTOXEBCWFBUONV-AWEZNQCLSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910923269	622487874	/nfs/dbraw/zinc/48/78/74/622487874.db2.gz	RMXJGLWSOZLBSF-JTQLQIEISA-N	-1	0	291.338	2.984	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1CCC=CCC1)C(=O)[O-]	ZINC000910924041	622488380	/nfs/dbraw/zinc/48/83/80/622488380.db2.gz	XRWDGYUJOANKEH-ZDUSSCGKSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C1CCC(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1	ZINC000910989753	622496046	/nfs/dbraw/zinc/49/60/46/622496046.db2.gz	DLDAJSVBJAVLLN-CLFYSBASSA-N	-1	0	289.331	2.854	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911070645	622503180	/nfs/dbraw/zinc/50/31/80/622503180.db2.gz	HGQGIKSKHPDZSB-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
C#CCCCCNC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000911401531	622519801	/nfs/dbraw/zinc/51/98/01/622519801.db2.gz	SHCZFSQHSSUVEQ-UHFFFAOYSA-N	-1	0	279.723	2.572	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675257	622533990	/nfs/dbraw/zinc/53/39/90/622533990.db2.gz	ALKWEMPZMCUTKO-LKFCYVNXSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911684225	622535062	/nfs/dbraw/zinc/53/50/62/622535062.db2.gz	PPIWWUSDHIHJIZ-UHFFFAOYSA-N	-1	0	263.268	2.574	20	30		CFEDRM
CC(C)(C)C#CC(=O)Nc1nccc(Br)c1[O-]	ZINC000913025266	622821493	/nfs/dbraw/zinc/82/14/93/622821493.db2.gz	KQTSAAOHBHCKAA-UHFFFAOYSA-N	-1	0	297.152	2.538	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000151075801	622829265	/nfs/dbraw/zinc/82/92/65/622829265.db2.gz	PWVFWTPGUSXYRN-UHFFFAOYSA-N	-1	0	293.388	2.568	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000821324332	622894350	/nfs/dbraw/zinc/89/43/50/622894350.db2.gz	AGQNSTICCABBBJ-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2CCC=CCC2)c1	ZINC000821349437	622901898	/nfs/dbraw/zinc/90/18/98/622901898.db2.gz	RULIQNSNKQSGQG-UHFFFAOYSA-N	-1	0	256.305	2.949	20	30		CFEDRM
CC(C)(C)c1nc(C(=O)Nc2cc(C#N)ccc2[O-])co1	ZINC000821348671	622902030	/nfs/dbraw/zinc/90/20/30/622902030.db2.gz	FPSPHWPXMUQABS-UHFFFAOYSA-N	-1	0	285.303	2.802	20	30		CFEDRM
CNC(=O)c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000156607136	622948277	/nfs/dbraw/zinc/94/82/77/622948277.db2.gz	UHPLFCZGSZKTJR-DHZHZOJOSA-N	-1	0	281.311	2.648	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(OC)cc2[O-])cn1	ZINC000156615566	622951842	/nfs/dbraw/zinc/95/18/42/622951842.db2.gz	GQARQGPPNOVCRU-QPJJXVBHSA-N	-1	0	272.304	2.513	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)C1CCCC1	ZINC000045100091	622965433	/nfs/dbraw/zinc/96/54/33/622965433.db2.gz	JNNYODNLGJVYOT-UHFFFAOYSA-N	-1	0	285.340	2.802	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1	ZINC000157218550	623014073	/nfs/dbraw/zinc/01/40/73/623014073.db2.gz	XVOYKZMNOFCMIP-QPJJXVBHSA-N	-1	0	285.255	2.902	20	30		CFEDRM
O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(O)cc1[O-]	ZINC000225222287	623032964	/nfs/dbraw/zinc/03/29/64/623032964.db2.gz	PZNSXDODRVGONW-YVMONPNESA-N	-1	0	285.255	2.902	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708810	623094735	/nfs/dbraw/zinc/09/47/35/623094735.db2.gz	ZFMJYXDWONDKGB-UHFFFAOYSA-N	-1	0	261.730	2.785	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000822417536	623099865	/nfs/dbraw/zinc/09/98/65/623099865.db2.gz	QAIYQGQTVLHHHG-SECBINFHSA-N	-1	0	289.360	2.738	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000046929189	623104612	/nfs/dbraw/zinc/10/46/12/623104612.db2.gz	GBLLUKRGUAHILL-UHFFFAOYSA-N	-1	0	255.339	2.749	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)cc1	ZINC000046927398	623104707	/nfs/dbraw/zinc/10/47/07/623104707.db2.gz	WOOBFPQDNBXDOF-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)o1	ZINC000046930080	623105721	/nfs/dbraw/zinc/10/57/21/623105721.db2.gz	HEFMGPGAECQWHC-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCCC(C)(C)C	ZINC000814901445	623106312	/nfs/dbraw/zinc/10/63/12/623106312.db2.gz	NKBMFIZYYKRJTR-WDEREUQCSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CCCCCCC[C@@H](C)CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000823062751	623226382	/nfs/dbraw/zinc/22/63/82/623226382.db2.gz	OOLCGEDYTLITMA-GFCCVEGCSA-N	-1	0	281.400	2.852	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000823505671	623336249	/nfs/dbraw/zinc/33/62/49/623336249.db2.gz	DYAZWOXIBPSCGY-SNVBAGLBSA-N	-1	0	279.286	2.546	20	30		CFEDRM
N#Cc1ccc(F)c(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000173988410	623379338	/nfs/dbraw/zinc/37/93/38/623379338.db2.gz	IRVYDVKXTIDETF-GIJQJNRQSA-N	-1	0	299.261	2.930	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1	ZINC000824033960	623437809	/nfs/dbraw/zinc/43/78/09/623437809.db2.gz	WNBPYBBKIQWJMJ-MRVPVSSYSA-N	-1	0	290.697	2.758	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNCC(F)(F)F	ZINC000814904722	623456465	/nfs/dbraw/zinc/45/64/65/623456465.db2.gz	WKILKBNKRDDNMR-UHFFFAOYSA-N	-1	0	268.279	2.939	20	30		CFEDRM
CC(=NN(C)[C@H](C)CO)c1ccc(Cl)c(Cl)c1[O-]	ZINC000842540216	623485205	/nfs/dbraw/zinc/48/52/05/623485205.db2.gz	JBAHKHVAEMCLRG-SSDOTTSWSA-N	-1	0	291.178	2.736	20	30		CFEDRM
C/C(=C(/F)C(=O)[N-]Oc1cccc(C#N)c1)C1CC1	ZINC000913666673	623550855	/nfs/dbraw/zinc/55/08/55/623550855.db2.gz	HAICXAYRBYYNJP-LCYFTJDESA-N	-1	0	260.268	2.622	20	30		CFEDRM
N#Cc1nc(NC(=O)C(F)=CC2CCCCC2)[n-]c1C#N	ZINC000825431948	623693148	/nfs/dbraw/zinc/69/31/48/623693148.db2.gz	FXVIKWZPNYTJQH-UXBLZVDNSA-N	-1	0	287.298	2.525	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000152652043	623749170	/nfs/dbraw/zinc/74/91/70/623749170.db2.gz	DLGOXROPSBOMTK-GQCTYLIASA-N	-1	0	260.268	2.644	20	30		CFEDRM
Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000075777166	623799416	/nfs/dbraw/zinc/79/94/16/623799416.db2.gz	MOBAUJXKBWTQER-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CC(=NOC[C@H]1CCOC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814912519	623887299	/nfs/dbraw/zinc/88/72/99/623887299.db2.gz	VTZZARHFYBEFGE-YPMHNXCESA-N	-1	0	271.357	2.697	20	30		CFEDRM
CC[C@H](NN=C1CCC(OC2CCCC2)CC1)C(=O)[O-]	ZINC000834981650	623917537	/nfs/dbraw/zinc/91/75/37/623917537.db2.gz	VMAYSYCIVVYNQH-KZUDCZAMSA-N	-1	0	282.384	2.697	20	30		CFEDRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(O)c1	ZINC000914690199	623921328	/nfs/dbraw/zinc/92/13/28/623921328.db2.gz	MTZSZUCNIGCNPJ-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CC(=NN[C@@H](C)C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000835002998	623926978	/nfs/dbraw/zinc/92/69/78/623926978.db2.gz	VRTHADLUXWTSNP-ZETCQYMHSA-N	-1	0	291.229	2.565	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000072595098	625690841	/nfs/dbraw/zinc/69/08/41/625690841.db2.gz	RANHJOGOOZWVMY-JTQLQIEISA-N	-1	0	297.376	2.971	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCC[C@@H](O)C2)c1[O-]	ZINC000915983220	624201293	/nfs/dbraw/zinc/20/12/93/624201293.db2.gz	UHVRVTSDSPGTIU-RQFZQORDSA-N	-1	0	298.726	2.676	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccccc2[N+](=O)[O-])c1	ZINC000916255412	624230979	/nfs/dbraw/zinc/23/09/79/624230979.db2.gz	ZFZNDQZJQKLNIX-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
CC(C)CNN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000916366348	624241937	/nfs/dbraw/zinc/24/19/37/624241937.db2.gz	UGHIXXNIRVHDQA-UHFFFAOYSA-N	-1	0	271.704	2.533	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1	ZINC000916919558	624291813	/nfs/dbraw/zinc/29/18/13/624291813.db2.gz	YWFUNBXXJQTFSM-CQSZACIVSA-N	-1	0	284.359	2.609	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)ccc1C	ZINC000917555524	624359594	/nfs/dbraw/zinc/35/95/94/624359594.db2.gz	TVBPDLPRCLTRRL-UHFFFAOYSA-N	-1	0	280.335	2.806	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCCCC1	ZINC000920024808	624661050	/nfs/dbraw/zinc/66/10/50/624661050.db2.gz	OFMQBMALHMXTHD-UHFFFAOYSA-N	-1	0	290.294	2.936	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CC=Cc1ccco1	ZINC000920370625	624716240	/nfs/dbraw/zinc/71/62/40/624716240.db2.gz	LGAKJOZNUXPXFZ-QKYNCGQJSA-N	-1	0	297.339	2.826	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175096606	624926560	/nfs/dbraw/zinc/92/65/60/624926560.db2.gz	DIWSKZLDVJDTTL-GFCCVEGCSA-N	-1	0	276.336	2.525	20	30		CFEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000070030833	625258090	/nfs/dbraw/zinc/25/80/90/625258090.db2.gz	QAOBGQSBCYIMEF-LLVKDONJSA-N	-1	0	284.381	2.799	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000851598243	634449956	/nfs/dbraw/zinc/44/99/56/634449956.db2.gz	PCCWVTGVTHMPLJ-RYUDHWBXSA-N	-1	0	257.374	2.962	20	30		CFEDRM
C=CCC1(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)CCC1	ZINC000851613978	634456219	/nfs/dbraw/zinc/45/62/19/634456219.db2.gz	JPBGPBOINHXWQL-INIZCTEOSA-N	-1	0	295.354	2.538	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966274	625936212	/nfs/dbraw/zinc/93/62/12/625936212.db2.gz	FUCJFVUFLIKGSS-IINYFYTJSA-N	-1	0	294.351	2.852	20	30		CFEDRM
CC[C@H](NN=Cc1cc2ccccc2c(OC)c1)C(=O)[O-]	ZINC000834981353	625944834	/nfs/dbraw/zinc/94/48/34/625944834.db2.gz	NEVQSRZUOURXLW-AWEZNQCLSA-N	-1	0	286.331	2.635	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@H]1Cc1ccc(Cl)cc1	ZINC000834982405	625945488	/nfs/dbraw/zinc/94/54/88/625945488.db2.gz	BGENOVDCVWVUHT-NSHDSACASA-N	-1	0	280.755	2.713	20	30		CFEDRM
O=C([O-])CNN=C1CC=C(c2ccc(Cl)cc2)CC1	ZINC000834982340	625945762	/nfs/dbraw/zinc/94/57/62/625945762.db2.gz	AKQWUEZFQXYUMZ-UHFFFAOYSA-N	-1	0	278.739	2.938	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])nc1)C1CCSCC1	ZINC000835006420	625954457	/nfs/dbraw/zinc/95/44/57/625954457.db2.gz	DEYUPUYYXFEFSC-UHFFFAOYSA-N	-1	0	279.365	2.711	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC(C(F)F)C2)cc1F	ZINC000835008259	625955189	/nfs/dbraw/zinc/95/51/89/625955189.db2.gz	DPTOMZDNBHYIRM-UHFFFAOYSA-N	-1	0	272.226	2.967	20	30		CFEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009564	625955836	/nfs/dbraw/zinc/95/58/36/625955836.db2.gz	VRSBNXYWNKDLDK-LLVKDONJSA-N	-1	0	280.299	2.881	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@H](C(=O)[O-])C[C@H]2C)cc1	ZINC000835009175	625955867	/nfs/dbraw/zinc/95/58/67/625955867.db2.gz	SJIOQDYFDXPDPI-OCCSQVGLSA-N	-1	0	274.364	2.961	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1	ZINC000835009174	625956070	/nfs/dbraw/zinc/95/60/70/625956070.db2.gz	SJIOQDYFDXPDPI-JSGCOSHPSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CCOCC1	ZINC000835009769	625956835	/nfs/dbraw/zinc/95/68/35/625956835.db2.gz	CCDBEOKRMXHUTD-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCOC1	ZINC000835009794	625956927	/nfs/dbraw/zinc/95/69/27/625956927.db2.gz	CSQUAJJLXNASCP-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010403	625957112	/nfs/dbraw/zinc/95/71/12/625957112.db2.gz	ZSOBHMIMKUQZQP-NSHDSACASA-N	-1	0	286.335	2.898	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2CCF)cn1	ZINC000835009803	625957207	/nfs/dbraw/zinc/95/72/07/625957207.db2.gz	CYUUQNZCXWQEEJ-VIFPVBQESA-N	-1	0	265.288	2.707	20	30		CFEDRM
COCC(N=Nc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC000835011437	625958173	/nfs/dbraw/zinc/95/81/73/625958173.db2.gz	FOYIZQPCQQNESD-UHFFFAOYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
CO[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012473	625958570	/nfs/dbraw/zinc/95/85/70/625958570.db2.gz	QONDUOBSGNZTEB-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC1(C)OCC[C@@H]1NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000835017341	625962993	/nfs/dbraw/zinc/96/29/93/625962993.db2.gz	UEQJKQMNAGREDY-LBPRGKRZSA-N	-1	0	296.754	2.529	20	30		CFEDRM
C[C@H]1C(N=Nc2ncc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000835023620	625968384	/nfs/dbraw/zinc/96/83/84/625968384.db2.gz	MDYXSRNMQNLBTJ-SFYZADRCSA-N	-1	0	283.278	2.649	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791523	625997762	/nfs/dbraw/zinc/99/77/62/625997762.db2.gz	UQXKHJXMWLIBBD-WCBMZHEXSA-N	-1	0	287.768	2.782	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc(O)cc1[O-]	ZINC000186418507	626060231	/nfs/dbraw/zinc/06/02/31/626060231.db2.gz	VTUTUNATFSXVRD-ORCRQEGFSA-N	-1	0	259.236	2.528	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(OC)c1	ZINC000073838196	626396163	/nfs/dbraw/zinc/39/61/63/626396163.db2.gz	BOFQSPKQNDCITE-UHFFFAOYSA-N	-1	0	299.392	2.827	20	30		CFEDRM
N#C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC12CCCC2	ZINC000923050184	626446971	/nfs/dbraw/zinc/44/69/71/626446971.db2.gz	SUCWQZSPIWIOHH-INIZCTEOSA-N	-1	0	284.315	2.797	20	30		CFEDRM
N#C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CC12CCCC2	ZINC000923059262	626447052	/nfs/dbraw/zinc/44/70/52/626447052.db2.gz	NKJFWQROIYPEHV-MRXNPFEDSA-N	-1	0	284.315	2.797	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000923069084	626448251	/nfs/dbraw/zinc/44/82/51/626448251.db2.gz	JXANKBPVUIRLQG-GFCCVEGCSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000923076888	626449302	/nfs/dbraw/zinc/44/93/02/626449302.db2.gz	HUNOMPHQRVLEGM-CYBMUJFWSA-N	-1	0	294.395	2.856	20	30		CFEDRM
C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CC(C)C2)cc1	ZINC000923082034	626449711	/nfs/dbraw/zinc/44/97/11/626449711.db2.gz	YCAQLFLTDKBLKM-CSJGVYOVSA-N	-1	0	286.331	2.753	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923127546	626452148	/nfs/dbraw/zinc/45/21/48/626452148.db2.gz	KXZQIDNUZZYKKK-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C#CCCOC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000923132381	626452583	/nfs/dbraw/zinc/45/25/83/626452583.db2.gz	SZZHJQZJBWFDHQ-UHFFFAOYSA-N	-1	0	296.348	2.670	20	30		CFEDRM
C[C@H]1C(=NNCCC(C)(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814901355	626480717	/nfs/dbraw/zinc/48/07/17/626480717.db2.gz	KHHDSRAPEXCNKN-GHMZBOCLSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CC/C(C)=C/C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000838042340	626484443	/nfs/dbraw/zinc/48/44/43/626484443.db2.gz	WPCWKWODINVXEJ-FZPLPXEFSA-N	-1	0	292.360	2.527	20	30		CFEDRM
C/C=C(\CC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000789226693	626539298	/nfs/dbraw/zinc/53/92/98/626539298.db2.gz	ICCPQQHORDCGFT-INJWIWPUSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809158062	626539521	/nfs/dbraw/zinc/53/95/21/626539521.db2.gz	PYGYPYMOYJHREO-HWKANZROSA-N	-1	0	272.256	2.888	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1cc(C(=O)[O-])ccc1O	ZINC000757461419	626552705	/nfs/dbraw/zinc/55/27/05/626552705.db2.gz	NZYNEDXEQAJGPA-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1ccccc1C(=O)[O-]	ZINC000757465689	626552817	/nfs/dbraw/zinc/55/28/17/626552817.db2.gz	VDHNJPSOMXKBLU-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000757467697	626552898	/nfs/dbraw/zinc/55/28/98/626552898.db2.gz	KKEJEPYXPJHPKR-XQRVVYSFSA-N	-1	0	260.268	2.767	20	30		CFEDRM
O=C(/C=C/c1ccccc1-n1cncn1)c1ccccc1[O-]	ZINC000757473584	626553207	/nfs/dbraw/zinc/55/32/07/626553207.db2.gz	DCSJRWAIJSQSTJ-MDZDMXLPSA-N	-1	0	291.310	2.869	20	30		CFEDRM
COC(=O)c1occc1/C=C\C(=O)c1ccccc1[O-]	ZINC000757476652	626553358	/nfs/dbraw/zinc/55/33/58/626553358.db2.gz	YCUMCERGEFVASZ-SREVYHEPSA-N	-1	0	272.256	2.668	20	30		CFEDRM
Cn1nnc2cc(/C=C/C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000757477049	626553366	/nfs/dbraw/zinc/55/33/66/626553366.db2.gz	YJNAEIQDEYHOQP-XVNBXDOJSA-N	-1	0	297.289	2.709	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2nc(Cl)cs2)cc1	ZINC000758085514	626575864	/nfs/dbraw/zinc/57/58/64/626575864.db2.gz	YHSFRJBZSYJPCJ-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758117618	626577135	/nfs/dbraw/zinc/57/71/35/626577135.db2.gz	FRLDDEXXBRTLLE-ZDUSSCGKSA-N	-1	0	280.280	2.568	20	30		CFEDRM
Cc1cc2c[nH]nc2c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000759713200	626686647	/nfs/dbraw/zinc/68/66/47/626686647.db2.gz	JYYLZOPMSNJUDK-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759718384	626686819	/nfs/dbraw/zinc/68/68/19/626686819.db2.gz	VARGIRZPSLZYDO-UHFFFAOYSA-N	-1	0	298.346	2.547	20	30		CFEDRM
Cn1cnc2cc(/C=C/C(=O)c3ccc(O)cc3[O-])ccc21	ZINC000761205441	626815667	/nfs/dbraw/zinc/81/56/67/626815667.db2.gz	NLDFSIVGESLUFH-XVNBXDOJSA-N	-1	0	294.310	2.881	20	30		CFEDRM
CO[C@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000763104202	626962994	/nfs/dbraw/zinc/96/29/94/626962994.db2.gz	BAZWJOQWNMNQEJ-MRVPVSSYSA-N	-1	0	270.716	2.861	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCC(F)(F)C2)c1	ZINC000763095424	626963485	/nfs/dbraw/zinc/96/34/85/626963485.db2.gz	DOBYDAPMXMLNNR-HXBVQPGFSA-N	-1	0	270.235	2.907	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2csc(C3CC3)n2)nc1	ZINC000763372049	626983363	/nfs/dbraw/zinc/98/33/63/626983363.db2.gz	PHNGGVFRYORYPS-UHFFFAOYSA-N	-1	0	288.332	2.560	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cscc2Cl)nc1	ZINC000763371742	626983482	/nfs/dbraw/zinc/98/34/82/626983482.db2.gz	KRBQAAPEWWMGTD-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
Cc1ccc(C)c(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763369557	626983643	/nfs/dbraw/zinc/98/36/43/626983643.db2.gz	IFFVKVATTIOPEO-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(F)cc2F)nc1	ZINC000763369460	626983644	/nfs/dbraw/zinc/98/36/44/626983644.db2.gz	GHYCYNWFJCHFPA-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc(Cl)c2)nc1	ZINC000763372346	626984023	/nfs/dbraw/zinc/98/40/23/626984023.db2.gz	WPECJBDGAWFVGY-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C#CCC(CC#C)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000764626321	627077300	/nfs/dbraw/zinc/07/73/00/627077300.db2.gz	ZJGHYLBXWYKOTL-UHFFFAOYSA-N	-1	0	261.708	2.647	20	30		CFEDRM
CC(N=Nc1cncc(Cl)n1)c1cccc(C(=O)[O-])c1	ZINC000764684249	627084276	/nfs/dbraw/zinc/08/42/76/627084276.db2.gz	OOXYPANEDNBKNZ-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000766452236	627203971	/nfs/dbraw/zinc/20/39/71/627203971.db2.gz	DFVLRXFKHJJNPG-CYBMUJFWSA-N	-1	0	292.335	2.750	20	30		CFEDRM
Cc1csc(CCC(=O)Nc2cc(C#N)ccc2[O-])n1	ZINC000768119111	627317535	/nfs/dbraw/zinc/31/75/35/627317535.db2.gz	ABXPNGJLKVFOOA-UHFFFAOYSA-N	-1	0	287.344	2.600	20	30		CFEDRM
O=C(/C=C\c1cncnc1)c1ccc([O-])c(Cl)c1	ZINC000768752781	627368887	/nfs/dbraw/zinc/36/88/87/627368887.db2.gz	PFJXJWFTYGKAJF-IWQZZHSRSA-N	-1	0	260.680	2.732	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nc1	ZINC000769241518	627414742	/nfs/dbraw/zinc/41/47/42/627414742.db2.gz	FOFBYXZAIXWRKX-UHFFFAOYSA-N	-1	0	295.323	2.745	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cscn1	ZINC000769264856	627416723	/nfs/dbraw/zinc/41/67/23/627416723.db2.gz	NXIRLXVJVJKHSN-HNQUOIGGSA-N	-1	0	276.273	2.653	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cscn2)cc1	ZINC000769266538	627417308	/nfs/dbraw/zinc/41/73/08/627417308.db2.gz	XIMQKSBHECNXMU-UTCJRWHESA-N	-1	0	259.286	2.737	20	30		CFEDRM
CC(=NNc1ccncc1Cl)c1sccc1[O-]	ZINC000769794873	627475134	/nfs/dbraw/zinc/47/51/34/627475134.db2.gz	WXTUOENZSUZWFS-UHFFFAOYSA-N	-1	0	267.741	2.760	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3nsnc3c2)c1	ZINC000770554923	627529232	/nfs/dbraw/zinc/52/92/32/627529232.db2.gz	QJZFQPGCTTZSRH-UHFFFAOYSA-N	-1	0	296.311	2.521	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCCC(F)(F)F)c1	ZINC000770862351	627552206	/nfs/dbraw/zinc/55/22/06/627552206.db2.gz	NLHMNQYQWHNEAE-UHFFFAOYSA-N	-1	0	272.226	2.935	20	30		CFEDRM
CCC1(O)CCC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000771518704	627611332	/nfs/dbraw/zinc/61/13/32/627611332.db2.gz	AMFDYDBIUWBQHS-YBEGLDIGSA-N	-1	0	292.335	2.803	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC(C)c2ccc(C(=O)[O-])o2)n1	ZINC000773059240	627776422	/nfs/dbraw/zinc/77/64/22/627776422.db2.gz	QZEYFKGLJDONHO-UHFFFAOYSA-N	-1	0	294.698	2.566	20	30		CFEDRM
COC(=O)c1occc1C=CC(=O)c1sccc1[O-]	ZINC000773149576	627788613	/nfs/dbraw/zinc/78/86/13/627788613.db2.gz	MBFJQOCPGLUPBO-NSCUHMNNSA-N	-1	0	278.285	2.729	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H]2C(=O)[N-]OC2CCCC2)cc1	ZINC000775598440	628043967	/nfs/dbraw/zinc/04/39/67/628043967.db2.gz	JPPOQZVDUUTZIV-MRXNPFEDSA-N	-1	0	299.374	2.517	20	30		CFEDRM
N#CCN(Cc1cc(Cl)cc(F)c1[O-])C1CC1	ZINC000775660709	628051452	/nfs/dbraw/zinc/05/14/52/628051452.db2.gz	ITVOCCUDVHUNFM-UHFFFAOYSA-N	-1	0	254.692	2.673	20	30		CFEDRM
CC(C)C[C@H](C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC000775695568	628055721	/nfs/dbraw/zinc/05/57/21/628055721.db2.gz	NBVFYFXTWOTBLN-SECBINFHSA-N	-1	0	266.728	2.714	20	30		CFEDRM
C#CCCCCNC(=O)c1cccc(Cl)c1[O-]	ZINC000775772124	628064812	/nfs/dbraw/zinc/06/48/12/628064812.db2.gz	DROQFSKGFXTABW-UHFFFAOYSA-N	-1	0	251.713	2.579	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc(F)c2F)ccc1O	ZINC000777438419	628225977	/nfs/dbraw/zinc/22/59/77/628225977.db2.gz	YAKPIRBJOYIBKK-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NOCCC(F)(F)F)ccc1[O-]	ZINC000777457879	628227479	/nfs/dbraw/zinc/22/74/79/628227479.db2.gz	AWKJEEBNBUHXJU-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]OC1CCCCC1	ZINC000777964396	628268687	/nfs/dbraw/zinc/26/86/87/628268687.db2.gz	RRVQYGJQBUWHKF-GFCCVEGCSA-N	-1	0	288.347	2.706	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1O	ZINC000779381975	628377737	/nfs/dbraw/zinc/37/77/37/628377737.db2.gz	VEHZFLWALUAOLT-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
CC(=NN[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000788445724	628385491	/nfs/dbraw/zinc/38/54/91/628385491.db2.gz	HXKYYXTYQBHESE-MRVPVSSYSA-N	-1	0	289.162	2.802	20	30		CFEDRM
CC[C@H]1C[C@@H](CN=Nc2ccccc2C(=O)[O-])CCO1	ZINC000779768160	628401182	/nfs/dbraw/zinc/40/11/82/628401182.db2.gz	SIUSRZVWDBTRLM-RYUDHWBXSA-N	-1	0	276.336	2.988	20	30		CFEDRM
COc1cccc(N=NC(C)c2ccc(C(=O)[O-])cc2)n1	ZINC000779821034	628411361	/nfs/dbraw/zinc/41/13/61/628411361.db2.gz	RWQHGUQKBXRGOT-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000780186242	628437579	/nfs/dbraw/zinc/43/75/79/628437579.db2.gz	FPZBNMRZRCMZSX-NSCUHMNNSA-N	-1	0	298.676	2.953	20	30		CFEDRM
COc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)nc1	ZINC000780270710	628448687	/nfs/dbraw/zinc/44/86/87/628448687.db2.gz	LBGBBNPGYOZQDP-UHFFFAOYSA-N	-1	0	279.246	2.520	20	30		CFEDRM
C=CCC[C@H](NC(=O)N[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000780690447	628487425	/nfs/dbraw/zinc/48/74/25/628487425.db2.gz	VGUOSWTYZVSPHX-KBPBESRZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OCCC(F)(F)F)CC2)cc1	ZINC000781039793	628514627	/nfs/dbraw/zinc/51/46/27/628514627.db2.gz	ABASBIFVVPXFHL-UHFFFAOYSA-N	-1	0	298.264	2.590	20	30		CFEDRM
COc1cc(C)c(C=NNc2cccc(C(=O)[O-])c2)c(C)n1	ZINC000781572910	628560988	/nfs/dbraw/zinc/56/09/88/628560988.db2.gz	XSGNGGYUDVUKJM-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
COc1cc(C)c(C=NNc2ccccc2C(=O)[O-])c(C)n1	ZINC000781586389	628562696	/nfs/dbraw/zinc/56/26/96/628562696.db2.gz	VMFNOAUKIXDERW-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
COc1cc(C(C)=NNc2ccccc2C(=O)[O-])ccn1	ZINC000782175682	628609474	/nfs/dbraw/zinc/60/94/74/628609474.db2.gz	CAUCVYNOWDQWOE-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@]1(C)CCCO1	ZINC000782254638	628619950	/nfs/dbraw/zinc/61/99/50/628619950.db2.gz	ORUDXJUSHFHZSM-HNNXBMFYSA-N	-1	0	292.335	2.750	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000782287119	628624257	/nfs/dbraw/zinc/62/42/57/628624257.db2.gz	JXVUDZCADYCCPV-CYBMUJFWSA-N	-1	0	277.324	2.803	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccccn2)c(Cl)c1	ZINC000783805639	628746943	/nfs/dbraw/zinc/74/69/43/628746943.db2.gz	UTCVULBUPGKQNH-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000785416290	628880839	/nfs/dbraw/zinc/88/08/39/628880839.db2.gz	XUDFHRUKUSOKPB-UHFFFAOYSA-N	-1	0	292.294	2.528	20	30		CFEDRM
COc1cc(C=NNC2CCCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000786042843	628932598	/nfs/dbraw/zinc/93/25/98/628932598.db2.gz	BAVKTMSNOAIVPM-UHFFFAOYSA-N	-1	0	293.323	2.565	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccccn1	ZINC000788415512	629064991	/nfs/dbraw/zinc/06/49/91/629064991.db2.gz	QQUUMHZKRLFKSJ-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(N=Nc2ccc(F)cn2)c2ccccc21	ZINC000789018487	629117679	/nfs/dbraw/zinc/11/76/79/629117679.db2.gz	VUKLAVKKTUVPAZ-CYBMUJFWSA-N	-1	0	299.305	2.999	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1coc(C)n1	ZINC000789033291	629119337	/nfs/dbraw/zinc/11/93/37/629119337.db2.gz	GNLBICOPHKNVJE-UHFFFAOYSA-N	-1	0	289.291	2.526	20	30		CFEDRM
Cc1csc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000835063194	629367490	/nfs/dbraw/zinc/36/74/90/629367490.db2.gz	IEDAXMDQCFOPFP-LBPRGKRZSA-N	-1	0	290.388	2.828	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C(CC)CC)CCCC1	ZINC000835161396	629477688	/nfs/dbraw/zinc/47/76/88/629477688.db2.gz	LYVZFQOYUWSTNW-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
CCO[C@H]1CC(=NN[C@H](CC)C(=O)[O-])C12CCCCC2	ZINC000793059140	629481371	/nfs/dbraw/zinc/48/13/71/629481371.db2.gz	YODJVFZYPQWNGU-YPMHNXCESA-N	-1	0	282.384	2.555	20	30		CFEDRM
CC[C@@H](NN=C1CCC2(CCCC2)CC1)C(=O)[O-]	ZINC000793071508	629482709	/nfs/dbraw/zinc/48/27/09/629482709.db2.gz	KLIITHUNQDYDTJ-GFCCVEGCSA-N	-1	0	252.358	2.930	20	30		CFEDRM
CC[C@@H](NN=C(C)c1oc2ccccc2c1C)C(=O)[O-]	ZINC000793071502	629482723	/nfs/dbraw/zinc/48/27/23/629482723.db2.gz	KFUPYLAAUBELRK-GFCCVEGCSA-N	-1	0	274.320	2.918	20	30		CFEDRM
CC[C@H](NN=C(CC(C)C)c1ccccc1)C(=O)[O-]	ZINC000793071437	629482744	/nfs/dbraw/zinc/48/27/44/629482744.db2.gz	FNLRGPBAOVQMHL-ZDUSSCGKSA-N	-1	0	262.353	2.890	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cccc(-c2ccncc2)c1)C(=O)[O-]	ZINC000793072681	629482818	/nfs/dbraw/zinc/48/28/18/629482818.db2.gz	UZRWJVAJOFRTBA-MRXNPFEDSA-N	-1	0	297.358	2.925	20	30		CFEDRM
CC[C@@H](NN=C1CC(C)(C)c2ccccc21)C(=O)[O-]	ZINC000793072031	629482868	/nfs/dbraw/zinc/48/28/68/629482868.db2.gz	ODELCGYXRCTEQO-GFCCVEGCSA-N	-1	0	260.337	2.525	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(OC2CCCC2)c1)C(=O)[O-]	ZINC000793070767	629483020	/nfs/dbraw/zinc/48/30/20/629483020.db2.gz	DRNFWHDCNDUUDV-HNNXBMFYSA-N	-1	0	290.363	2.795	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000793071827	629483038	/nfs/dbraw/zinc/48/30/38/629483038.db2.gz	HMPLULVBIFYRBW-NSHDSACASA-N	-1	0	280.393	2.804	20	30		CFEDRM
CCC(Cc1ccc(C)cc1)=NN[C@H](CC)C(=O)[O-]	ZINC000793071895	629483039	/nfs/dbraw/zinc/48/30/39/629483039.db2.gz	MSIMSACNVGKQKY-CQSZACIVSA-N	-1	0	262.353	2.756	20	30		CFEDRM
CC[C@@H](NN=Cc1csc2ccccc12)C(=O)[O-]	ZINC000793073228	629483512	/nfs/dbraw/zinc/48/35/12/629483512.db2.gz	ZMEYYRVCYUOMJY-LLVKDONJSA-N	-1	0	262.334	2.688	20	30		CFEDRM
CC[C@@H](NN=C1CCC(C)(C)c2ccccc21)C(=O)[O-]	ZINC000793073529	629483526	/nfs/dbraw/zinc/48/35/26/629483526.db2.gz	XCXLJIBSGOCCQL-CYBMUJFWSA-N	-1	0	274.364	2.915	20	30		CFEDRM
CC[C@@H](NN=C1CCCCc2ccccc21)C(=O)[O-]	ZINC000793073313	629483675	/nfs/dbraw/zinc/48/36/75/629483675.db2.gz	SCUPJAVZNCZIEI-CYBMUJFWSA-N	-1	0	260.337	2.570	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Cl)c2cccnc12)C(=O)[O-]	ZINC000793073316	629483792	/nfs/dbraw/zinc/48/37/92/629483792.db2.gz	SDRSXEQVZCKAHC-GFCCVEGCSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H](c2ncccc2C)C1)C(=O)[O-]	ZINC000793073082	629483836	/nfs/dbraw/zinc/48/38/36/629483836.db2.gz	YDYJXYXXRGVMFH-TZMCWYRMSA-N	-1	0	289.379	2.856	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccccc1Cl)C(=O)[O-]	ZINC000793078516	629484510	/nfs/dbraw/zinc/48/45/10/629484510.db2.gz	NOEKPONMZNDPJH-LLVKDONJSA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC1(CNN=Cc2cccc(OCC(=O)[O-])c2)CCCC1	ZINC000793081501	629485000	/nfs/dbraw/zinc/48/50/00/629485000.db2.gz	LXDSKDFGYVKLCQ-UHFFFAOYSA-N	-1	0	290.363	2.654	20	30		CFEDRM
CC[C@@H](NN=C(C)C(C)(C)c1ccc(F)cc1)C(=O)[O-]	ZINC000793081530	629485149	/nfs/dbraw/zinc/48/51/49/629485149.db2.gz	MMPNIOWXJMVCMU-CYBMUJFWSA-N	-1	0	280.343	2.932	20	30		CFEDRM
C[C@H](NN=Cc1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C	ZINC000793116359	629489192	/nfs/dbraw/zinc/48/91/92/629489192.db2.gz	SALNKSZAKUZDHQ-VIFPVBQESA-N	-1	0	265.313	2.659	20	30		CFEDRM
CC[C@H](C)CON=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000793145380	629492251	/nfs/dbraw/zinc/49/22/51/629492251.db2.gz	IYKGMVCROUPOCG-NWDGAFQWSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC(C)n1nccc1C=NNc1ccccc1C(=O)[O-]	ZINC000794485706	629650479	/nfs/dbraw/zinc/65/04/79/629650479.db2.gz	YJOXFAOZWDDVJM-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCCC(F)(F)F)c(Cl)c1	ZINC000794551990	629660804	/nfs/dbraw/zinc/66/08/04/629660804.db2.gz	GWVAAGTUAJYZHY-UHFFFAOYSA-N	-1	0	294.660	2.914	20	30		CFEDRM
Cc1nnc(NN=C2CCC(C)(C)c3ccccc32)[n-]c1=O	ZINC000794847477	629693816	/nfs/dbraw/zinc/69/38/16/629693816.db2.gz	SUFKYVBPBPZXPD-UHFFFAOYSA-N	-1	0	297.362	2.773	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cn[nH]c1	ZINC000794845383	629693910	/nfs/dbraw/zinc/69/39/10/629693910.db2.gz	OJDSDRZIEZGFEO-UHFFFAOYSA-N	-1	0	278.699	2.597	20	30		CFEDRM
Cc1nn(C)cc1C(=O)/C=C/c1cc(C(=O)[O-])c(C)cc1C	ZINC000794938843	629707583	/nfs/dbraw/zinc/70/75/83/629707583.db2.gz	RWEDFGVSXVKITJ-AATRIKPKSA-N	-1	0	298.342	2.940	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc2cc(C)ccc12	ZINC000796633558	629943294	/nfs/dbraw/zinc/94/32/94/629943294.db2.gz	FMXGXRZPMVAJFL-LBPRGKRZSA-N	-1	0	298.367	2.834	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)cc1Cl	ZINC000796638014	629943430	/nfs/dbraw/zinc/94/34/30/629943430.db2.gz	YJCPIVCHMASGSQ-GFCCVEGCSA-N	-1	0	290.750	2.558	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CC2)c(C)cc1Cl	ZINC000796638015	629943828	/nfs/dbraw/zinc/94/38/28/629943828.db2.gz	YJCPIVCHMASGSQ-LBPRGKRZSA-N	-1	0	290.750	2.558	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(F)F)cc1	ZINC000796742208	629958517	/nfs/dbraw/zinc/95/85/17/629958517.db2.gz	AEESBPMQBDDOSG-GFCCVEGCSA-N	-1	0	294.301	2.645	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1CCC	ZINC000835827411	630092729	/nfs/dbraw/zinc/09/27/29/630092729.db2.gz	AXCQDMBFWHZGNW-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	ZINC000797705028	630097202	/nfs/dbraw/zinc/09/72/02/630097202.db2.gz	XCICECIEBHOBKE-MGPQQGTHSA-N	-1	0	294.395	2.628	20	30		CFEDRM
Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000797748661	630099914	/nfs/dbraw/zinc/09/99/14/630099914.db2.gz	NVFHCAAXPDTLBJ-UHFFFAOYSA-N	-1	0	299.330	2.785	20	30		CFEDRM
C=C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)(C)C	ZINC000798906934	630258215	/nfs/dbraw/zinc/25/82/15/630258215.db2.gz	RVYLTBAFLAYSBF-SECBINFHSA-N	-1	0	252.270	2.680	20	30		CFEDRM
Cc1[nH]c(C=NN[C@@H]2CCCCC2(C)C)cc1C(=O)[O-]	ZINC000800817552	630408344	/nfs/dbraw/zinc/40/83/44/630408344.db2.gz	PIGQERYVPZMAFY-CYBMUJFWSA-N	-1	0	277.368	2.914	20	30		CFEDRM
N#Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1Cl	ZINC000801070440	630425996	/nfs/dbraw/zinc/42/59/96/630425996.db2.gz	IQEQEDFOKYIKCU-UHFFFAOYSA-N	-1	0	294.635	2.728	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cncs2)c1	ZINC000806558801	630810880	/nfs/dbraw/zinc/81/08/80/630810880.db2.gz	MGIKPVKYNKDKHZ-SNAWJCMRSA-N	-1	0	259.286	2.737	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)ncc2F)cc1	ZINC000807938749	630924358	/nfs/dbraw/zinc/92/43/58/630924358.db2.gz	HNJWBPUHGYBSQJ-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]1SC	ZINC000807938738	630924673	/nfs/dbraw/zinc/92/46/73/630924673.db2.gz	HLJYIGJNDARUSZ-OLZOCXBDSA-N	-1	0	294.376	2.693	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NN[C@H]1CCSC1	ZINC000808003346	630938204	/nfs/dbraw/zinc/93/82/04/630938204.db2.gz	MPLOZOAOEGGDSC-VIFPVBQESA-N	-1	0	274.748	2.614	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NNCC2CCCC2)c1)C(=O)[O-]	ZINC000808005981	630940164	/nfs/dbraw/zinc/94/01/64/630940164.db2.gz	ODWXJCFRNWTWOP-GFCCVEGCSA-N	-1	0	290.363	2.652	20	30		CFEDRM
CC(=NNCC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000808007168	630940898	/nfs/dbraw/zinc/94/08/98/630940898.db2.gz	SPJNFSBSHBWWNA-UHFFFAOYSA-N	-1	0	277.324	2.804	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl	ZINC000837043499	630943576	/nfs/dbraw/zinc/94/35/76/630943576.db2.gz	CVSKEGIIKNEMEL-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000837043161	630943584	/nfs/dbraw/zinc/94/35/84/630943584.db2.gz	MDZRTVYIXIGVSZ-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc(Br)c1	ZINC000837045973	630944351	/nfs/dbraw/zinc/94/43/51/630944351.db2.gz	CDPNRAIACPTQDS-UHFFFAOYSA-N	-1	0	298.180	2.961	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cncc(F)c2)ccc1O	ZINC000809153733	631090583	/nfs/dbraw/zinc/09/05/83/631090583.db2.gz	CVIAWBZUGYRQHD-HNQUOIGGSA-N	-1	0	287.246	2.521	20	30		CFEDRM
O=C(Cc1cccs1)[N-]S(=O)(=O)c1cccs1	ZINC000042243694	649996631	/nfs/dbraw/zinc/99/66/31/649996631.db2.gz	KARGTTMIJIBDNP-UHFFFAOYSA-N	-1	0	287.387	2.698	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1	ZINC000840947396	631276847	/nfs/dbraw/zinc/27/68/47/631276847.db2.gz	IEECDYLHKLSSCP-UHFFFAOYSA-N	-1	0	296.392	2.661	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc2ccsc2s1	ZINC000840948927	631277280	/nfs/dbraw/zinc/27/72/80/631277280.db2.gz	MRADAMZYILLTRI-UHFFFAOYSA-N	-1	0	286.403	2.513	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1C#N	ZINC000042343864	649997927	/nfs/dbraw/zinc/99/79/27/649997927.db2.gz	GFMHNGQJAPTFJR-CMDGGOBGSA-N	-1	0	292.360	2.658	20	30		CFEDRM
N#CC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCC1	ZINC000841467076	631411013	/nfs/dbraw/zinc/41/10/13/631411013.db2.gz	NKRFIXSHOAAWIY-UHFFFAOYSA-N	-1	0	287.344	2.540	20	30		CFEDRM
O=C([O-])CNN=C1CC[C@@H](c2cccc(Cl)c2)C1	ZINC000841639609	631441280	/nfs/dbraw/zinc/44/12/80/631441280.db2.gz	BKPBBUJFQXOMIX-SNVBAGLBSA-N	-1	0	266.728	2.638	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@H](C)C2)CC1	ZINC000810988858	631491254	/nfs/dbraw/zinc/49/12/54/631491254.db2.gz	YZGWUTOQUCAFFL-QWHCGFSZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCC2)CC1	ZINC000810982298	631491294	/nfs/dbraw/zinc/49/12/94/631491294.db2.gz	NOUQOLNJJZYZIP-UHFFFAOYSA-N	-1	0	299.436	2.758	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2nccs2)c1	ZINC000811625606	631588619	/nfs/dbraw/zinc/58/86/19/631588619.db2.gz	QRNNPYBBTHPEHE-ZROIWOOFSA-N	-1	0	291.332	2.809	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC1CCC1)CCC2	ZINC000812237305	631674607	/nfs/dbraw/zinc/67/46/07/631674607.db2.gz	UBJJDSCGSFHSKL-UHFFFAOYSA-N	-1	0	263.293	2.896	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000843264605	631913027	/nfs/dbraw/zinc/91/30/27/631913027.db2.gz	PYGTWZVRYQVHOF-OPPAUOJGSA-N	-1	0	284.699	2.550	20	30		CFEDRM
O=C(/C=C\c1cnn(CC(F)F)c1)c1cc(F)ccc1[O-]	ZINC000814189976	632028479	/nfs/dbraw/zinc/02/84/79/632028479.db2.gz	MDJGVTRTOTUYKT-IWQZZHSRSA-N	-1	0	296.248	2.889	20	30		CFEDRM
COC(=O)[C@@H](C)CCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814212659	632039386	/nfs/dbraw/zinc/03/93/86/632039386.db2.gz	HSLFEMOYYREVMJ-QMMMGPOBSA-N	-1	0	298.726	2.635	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCC2CC2)c(Cl)c1	ZINC000814244358	632043506	/nfs/dbraw/zinc/04/35/06/632043506.db2.gz	PIFZAORKHRQGCX-UHFFFAOYSA-N	-1	0	253.685	2.799	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000843998589	632090696	/nfs/dbraw/zinc/09/06/96/632090696.db2.gz	FUONIDXQPUNWFW-SECBINFHSA-N	-1	0	297.276	2.685	20	30		CFEDRM
O=C([O-])c1ccc(NN=C2COc3cc(F)ccc32)cc1	ZINC000814680686	632106899	/nfs/dbraw/zinc/10/68/99/632106899.db2.gz	DQBCKCNYULGEMJ-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC000814682882	632107619	/nfs/dbraw/zinc/10/76/19/632107619.db2.gz	SVQMWPFPHXFXRM-ZANVPECISA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-]	ZINC000814694607	632109872	/nfs/dbraw/zinc/10/98/72/632109872.db2.gz	RDUTVVXUVGEFQI-NOZJJQNGSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C(N=Nc2nncc3ccccc32)CC[C@@H]1CC(=O)[O-]	ZINC000814706327	632110628	/nfs/dbraw/zinc/11/06/28/632110628.db2.gz	XUQAUULHPIPTAU-GHMZBOCLSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nc2ccccc2[nH]1	ZINC000814708674	632111408	/nfs/dbraw/zinc/11/14/08/632111408.db2.gz	KHWFUJSSSNFBQT-ZJUUUORDSA-N	-1	0	286.335	2.852	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(N=Nc1ccccn1)CC2	ZINC000814732132	632115451	/nfs/dbraw/zinc/11/54/51/632115451.db2.gz	ZBWIDJCGNPCWSE-UHFFFAOYSA-N	-1	0	281.315	2.737	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1ccccc1	ZINC000814751631	632117830	/nfs/dbraw/zinc/11/78/30/632117830.db2.gz	PARJKJCJMGCTSH-UHFFFAOYSA-N	-1	0	260.337	2.797	20	30		CFEDRM
CCON=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000814788255	632123330	/nfs/dbraw/zinc/12/33/30/632123330.db2.gz	KWQCZGJYEOPCKP-GFCCVEGCSA-N	-1	0	279.336	2.884	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cnccn1	ZINC000814797942	632126117	/nfs/dbraw/zinc/12/61/17/632126117.db2.gz	ZOCNRNWVVDDWKA-UHFFFAOYSA-N	-1	0	264.329	2.690	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(C#N)cc1	ZINC000814802822	632127232	/nfs/dbraw/zinc/12/72/32/632127232.db2.gz	AHKXHPSAZNUJAT-UHFFFAOYSA-N	-1	0	271.320	2.991	20	30		CFEDRM
C[C@H]1CC(N=Nc2cnc3ccccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000814830999	632133561	/nfs/dbraw/zinc/13/35/61/632133561.db2.gz	XQDNYRNBMFFGSH-JQWIXIFHSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)nc1	ZINC000814831985	632134333	/nfs/dbraw/zinc/13/43/33/632134333.db2.gz	ZRDMKSMVXLONPJ-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])[C@@H](C)C2)nc1	ZINC000814831822	632134564	/nfs/dbraw/zinc/13/45/64/632134564.db2.gz	SFXXILUOHGZCAJ-JQWIXIFHSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc2ccccc12	ZINC000814841488	632135903	/nfs/dbraw/zinc/13/59/03/632135903.db2.gz	PAMSCLPXVFITRK-VXGBXAGGSA-N	-1	0	297.358	2.945	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](C(=O)[O-])C[C@@H]2C)n1	ZINC000814855016	632139592	/nfs/dbraw/zinc/13/95/92/632139592.db2.gz	DBMBNMXSSZNOQB-IONNQARKSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](C(=O)[O-])[C@H](C)C2)n1	ZINC000814855806	632139643	/nfs/dbraw/zinc/13/96/43/632139643.db2.gz	UAVKJTXZUDKTHI-XCBNKYQSSA-N	-1	0	296.758	2.727	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cccnn1	ZINC000814854314	632139926	/nfs/dbraw/zinc/13/99/26/632139926.db2.gz	UNOZNKAOELKDEJ-UHFFFAOYSA-N	-1	0	264.329	2.690	20	30		CFEDRM
CCCCCCCCCNC(=O)C1(C(=O)[O-])CC1	ZINC000844245295	632144695	/nfs/dbraw/zinc/14/46/95/632144695.db2.gz	MVTJQGHDDXJFDZ-UHFFFAOYSA-N	-1	0	255.358	2.718	20	30		CFEDRM
CO[C@@H]1CCCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844270725	632149857	/nfs/dbraw/zinc/14/98/57/632149857.db2.gz	JOQZWXBEOXOJTD-NGVDKPIASA-N	-1	0	278.308	2.677	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncc(F)cn2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814888614	632149921	/nfs/dbraw/zinc/14/99/21/632149921.db2.gz	IAONRTIMDXVDIR-SCZZXKLOSA-N	-1	0	294.330	2.541	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(N)c1	ZINC000814890793	632151073	/nfs/dbraw/zinc/15/10/73/632151073.db2.gz	ZYVLWNZBEANDAL-UHFFFAOYSA-N	-1	0	284.319	2.588	20	30		CFEDRM
Cc1sccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000814889935	632151133	/nfs/dbraw/zinc/15/11/33/632151133.db2.gz	FBOJOGPOBZVHSB-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[C@@H]1CC(=O)[O-]	ZINC000814900099	632154934	/nfs/dbraw/zinc/15/49/34/632154934.db2.gz	DGLYIPINLGGQBK-NXEZZACHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
C[C@@H]1CC(=NNCCC(C)(C)C)CC[C@@H]1C(=O)[O-]	ZINC000814901207	632155728	/nfs/dbraw/zinc/15/57/28/632155728.db2.gz	CVEIBZRLNZBNLP-PWSUYJOCSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccnc(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000814902636	632156421	/nfs/dbraw/zinc/15/64/21/632156421.db2.gz	RQWHQSXWAFGRST-KWQFWETISA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C(=NOCC(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814903849	632157225	/nfs/dbraw/zinc/15/72/25/632157225.db2.gz	DWKYKFHFUPYIKY-SFYZADRCSA-N	-1	0	263.284	2.781	20	30		CFEDRM
C[C@H]1C(=NOC2CCOCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814906018	632158410	/nfs/dbraw/zinc/15/84/10/632158410.db2.gz	CKMQIUAMHFGLLH-JQWIXIFHSA-N	-1	0	283.368	2.695	20	30		CFEDRM
CCOCCON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814907479	632159066	/nfs/dbraw/zinc/15/90/66/632159066.db2.gz	LIBVVFBMJMRULR-NEPJUHHUSA-N	-1	0	271.357	2.552	20	30		CFEDRM
C[C@H]1C(=NOCCC(F)(F)F)CC[C@H]1CC(=O)[O-]	ZINC000814909313	632159813	/nfs/dbraw/zinc/15/98/13/632159813.db2.gz	GWFLTIMNNJFZLZ-SFYZADRCSA-N	-1	0	267.247	2.832	20	30		CFEDRM
CC(=NN[C@@H]1CCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814933645	632171822	/nfs/dbraw/zinc/17/18/22/632171822.db2.gz	VIMVOSFTWAITAR-ZYHUDNBSSA-N	-1	0	272.414	2.739	20	30		CFEDRM
CCCC(NN=C(CC)C(=O)[O-])c1ccc(OC)cc1	ZINC000814936874	632173318	/nfs/dbraw/zinc/17/33/18/632173318.db2.gz	MQUDLMAMMQGIDO-ZDUSSCGKSA-N	-1	0	278.352	2.652	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCCOC(C)C	ZINC000814937229	632174409	/nfs/dbraw/zinc/17/44/09/632174409.db2.gz	YXPHUDJDLQJJDL-UHFFFAOYSA-N	-1	0	279.336	2.777	20	30		CFEDRM
CC(C)OCCON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814936943	632174525	/nfs/dbraw/zinc/17/45/25/632174525.db2.gz	OTKOIRWWMBGFSP-UHFFFAOYSA-N	-1	0	291.347	2.600	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(F)c(F)c2F)c[nH]1	ZINC000814944899	632176934	/nfs/dbraw/zinc/17/69/34/632176934.db2.gz	BOPMTDSXNWSNKC-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
CC(C)CC(Cc1cccc(Cl)c1)=NNCC(=O)[O-]	ZINC000814959288	632179820	/nfs/dbraw/zinc/17/98/20/632179820.db2.gz	YQXGIWCBJUIKIZ-UHFFFAOYSA-N	-1	0	282.771	2.959	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@@H]1C1=CCCCC1	ZINC000814958392	632180072	/nfs/dbraw/zinc/18/00/72/632180072.db2.gz	PUYWHLPQTGNPCY-GFCCVEGCSA-N	-1	0	250.342	2.707	20	30		CFEDRM
C=C[C@H](C)ON=C(O)N=c1nc(SCCC)[n-]s1	ZINC000844560098	632246481	/nfs/dbraw/zinc/24/64/81/632246481.db2.gz	ZLTFUBWSJQQXHJ-ZETCQYMHSA-N	-1	0	288.398	2.668	20	30		CFEDRM
Cc1c(N=NCC[C@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844622719	632266791	/nfs/dbraw/zinc/26/67/91/632266791.db2.gz	CAYURZOLGRMVHZ-NSHDSACASA-N	-1	0	262.309	2.518	20	30		CFEDRM
Cc1c(N=NC(C)C[C@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844624361	632267875	/nfs/dbraw/zinc/26/78/75/632267875.db2.gz	PURGKADIAMOHSR-GFCCVEGCSA-N	-1	0	276.336	2.908	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)[N-]c1ncccn1	ZINC000844826956	632318035	/nfs/dbraw/zinc/31/80/35/632318035.db2.gz	ZPFIFSCUNLVDHR-UHFFFAOYSA-N	-1	0	285.413	2.969	20	30		CFEDRM
Cc1c[nH]cc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845836652	632577724	/nfs/dbraw/zinc/57/77/24/632577724.db2.gz	BHRUKWXOGFVTGO-AWEZNQCLSA-N	-1	0	292.338	2.947	20	30		CFEDRM
C[C@@H]1CCCc2ncc(C(=O)Nc3cc(C#N)ccc3[O-])n21	ZINC000845888469	632591480	/nfs/dbraw/zinc/59/14/80/632591480.db2.gz	UUDDLCSQDCASKL-SNVBAGLBSA-N	-1	0	296.330	2.610	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NN[C@@H]1CCC[C@H]1O	ZINC000817332235	632605775	/nfs/dbraw/zinc/60/57/75/632605775.db2.gz	KZAVDZLIALFCHS-GHMZBOCLSA-N	-1	0	289.162	2.536	20	30		CFEDRM
CC[C@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000846159850	632649995	/nfs/dbraw/zinc/64/99/95/632649995.db2.gz	KJGFZGOJILZKBJ-SSDOTTSWSA-N	-1	0	287.146	2.865	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1OCC(C)C	ZINC000846263822	632676649	/nfs/dbraw/zinc/67/66/49/632676649.db2.gz	XWFPYCZDMBCPPF-UHFFFAOYSA-N	-1	0	277.364	2.794	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846539907	632728449	/nfs/dbraw/zinc/72/84/49/632728449.db2.gz	ILHBAGSGOINRSU-JTQLQIEISA-N	-1	0	296.348	2.699	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(Cl)cc1C	ZINC000846542155	632730697	/nfs/dbraw/zinc/73/06/97/632730697.db2.gz	VTCCMJJEDBDICO-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(F)cc1	ZINC000846544344	632733031	/nfs/dbraw/zinc/73/30/31/632733031.db2.gz	QKHPZYGSJXCPSN-JTQLQIEISA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	ZINC000846547686	632736162	/nfs/dbraw/zinc/73/61/62/632736162.db2.gz	FEVNUTCZXQPWNN-VIFPVBQESA-N	-1	0	296.298	2.634	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cc(C)cc(C)c2)CC1	ZINC000846549361	632737281	/nfs/dbraw/zinc/73/72/81/632737281.db2.gz	JSUYKCWYIPVROV-ZDUSSCGKSA-N	-1	0	259.349	2.957	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)OC1CCCCC1	ZINC000846550539	632738464	/nfs/dbraw/zinc/73/84/64/632738464.db2.gz	YALDHCGDLMOXDH-YPMHNXCESA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1SCCc2ccccc21	ZINC000846549899	632738889	/nfs/dbraw/zinc/73/88/89/632738889.db2.gz	ZZSLXUICVFRADY-ZWNOBZJWSA-N	-1	0	263.362	2.639	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000846552007	632739888	/nfs/dbraw/zinc/73/98/88/632739888.db2.gz	YZEULEPNSRVDJD-SECBINFHSA-N	-1	0	289.253	2.707	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(F)F)cc1F	ZINC000847624613	633011058	/nfs/dbraw/zinc/01/10/58/633011058.db2.gz	UXTHXWRFHDRNCR-SNVBAGLBSA-N	-1	0	298.264	2.610	20	30		CFEDRM
C=CCONC(=O)C[C@@H]1OCc2cc(Cl)ccc21	ZINC000848200247	633217102	/nfs/dbraw/zinc/21/71/02/633217102.db2.gz	JNRQHHWGJLFRBL-LBPRGKRZSA-N	-1	0	267.712	2.535	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000848244786	633223212	/nfs/dbraw/zinc/22/32/12/633223212.db2.gz	DRQPOEUZMKPBEO-ZWNOBZJWSA-N	-1	0	282.771	2.565	20	30		CFEDRM
CO[C@](C)(CN=Nc1ccc(CC(=O)[O-])cc1)C1CC1	ZINC000848413973	633252401	/nfs/dbraw/zinc/25/24/01/633252401.db2.gz	GOLODTPEKHDSFB-OAHLLOKOSA-N	-1	0	276.336	2.527	20	30		CFEDRM
Cc1cc(C=NNc2ccc(CC(=O)[O-])cc2)c(C)n1C	ZINC000848413626	633252763	/nfs/dbraw/zinc/25/27/63/633252763.db2.gz	APYMLUSYKHJSBI-UHFFFAOYSA-N	-1	0	285.347	2.715	20	30		CFEDRM
CO[C@@]1(C)CC(N=Nc2ccc(CC(=O)[O-])cc2)C1(C)C	ZINC000848415947	633253297	/nfs/dbraw/zinc/25/32/97/633253297.db2.gz	UCCRIVTWQOSYAA-INIZCTEOSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CC(C)n1cc(C=NNc2ccc(CC(=O)[O-])cc2)cn1	ZINC000848414759	633253351	/nfs/dbraw/zinc/25/33/51/633253351.db2.gz	CKGZMAMBNWINFA-UHFFFAOYSA-N	-1	0	286.335	2.537	20	30		CFEDRM
CCCCC(COC)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414627	633253538	/nfs/dbraw/zinc/25/35/38/633253538.db2.gz	AKUDLQKCRSUGJA-UHFFFAOYSA-N	-1	0	278.352	2.918	20	30		CFEDRM
C=CCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000852955969	634866256	/nfs/dbraw/zinc/86/62/56/634866256.db2.gz	CJKODXYACAWIFO-AWEZNQCLSA-N	-1	0	273.332	2.553	20	30		CFEDRM
C=CCOCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000849172490	633579831	/nfs/dbraw/zinc/57/98/31/633579831.db2.gz	SUYQCHZVONKFIB-DHDCSXOGSA-N	-1	0	298.726	2.965	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc(F)cc1[O-]	ZINC000849247587	633590317	/nfs/dbraw/zinc/59/03/17/633590317.db2.gz	VIGVRHVFFNODRO-FNORWQNLSA-N	-1	0	287.294	2.744	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000852912900	634859665	/nfs/dbraw/zinc/85/96/65/634859665.db2.gz	HTBMZLXHBDCFDT-CQSZACIVSA-N	-1	0	286.331	2.674	20	30		CFEDRM
Cn1ncc(C2CCC2)c1C=NNc1ccccc1C(=O)[O-]	ZINC000853280436	634958153	/nfs/dbraw/zinc/95/81/53/634958153.db2.gz	KCHRATBRVRETCN-UHFFFAOYSA-N	-1	0	298.346	2.832	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@@H]3CC[C@@H](C3)C2)nc1	ZINC000853325896	634969032	/nfs/dbraw/zinc/96/90/32/634969032.db2.gz	MXCRLZFJQRDETJ-AOOOYVTPSA-N	-1	0	259.309	2.758	20	30		CFEDRM
CC(C)(C)CCNN=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853332444	634972151	/nfs/dbraw/zinc/97/21/51/634972151.db2.gz	IGZDWFZNDPUPJP-UHFFFAOYSA-N	-1	0	295.770	2.728	20	30		CFEDRM
CO[C@H](CN=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000853369983	634985423	/nfs/dbraw/zinc/98/54/23/634985423.db2.gz	BYSLTCGNWZEEDV-CYBMUJFWSA-N	-1	0	262.309	2.516	20	30		CFEDRM
CC(=NN1CCCC[C@H]1C)c1cccc(OCC(=O)[O-])c1	ZINC000853379579	634987328	/nfs/dbraw/zinc/98/73/28/634987328.db2.gz	PIUXAVILSHUGTQ-GFCCVEGCSA-N	-1	0	290.363	2.748	20	30		CFEDRM
C#C[C@@](C)(CC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000854701310	635374310	/nfs/dbraw/zinc/37/43/10/635374310.db2.gz	AYIOAZXSSMHJEQ-ZDUSSCGKSA-N	-1	0	269.703	2.716	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@]1(c2ccccc2)CC1(C)C	ZINC000855026481	635445084	/nfs/dbraw/zinc/44/50/84/635445084.db2.gz	GIKGGCUBECBJSE-BLLLJJGKSA-N	-1	0	259.349	2.977	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855026757	635445194	/nfs/dbraw/zinc/44/51/94/635445194.db2.gz	OJUUYXPPKZWUQT-ZDUSSCGKSA-N	-1	0	297.395	2.758	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855027168	635445573	/nfs/dbraw/zinc/44/55/73/635445573.db2.gz	CGIXILYQAUZSHH-WCQYABFASA-N	-1	0	297.395	2.757	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000856029021	635704543	/nfs/dbraw/zinc/70/45/43/635704543.db2.gz	WNEPHQUTBOYDKZ-SNVBAGLBSA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1CCSc2ccccc21	ZINC000856032686	635708156	/nfs/dbraw/zinc/70/81/56/635708156.db2.gz	SLPZRRUMJQHVAO-LBPRGKRZSA-N	-1	0	263.362	2.890	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1CCc2c1cccc2Cl	ZINC000856034069	635708686	/nfs/dbraw/zinc/70/86/86/635708686.db2.gz	FOLLWURYRBTJII-LBPRGKRZSA-N	-1	0	265.740	2.994	20	30		CFEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OCC1CCC1	ZINC000856350367	635792457	/nfs/dbraw/zinc/79/24/57/635792457.db2.gz	HKCQOJVENAECBB-HNNXBMFYSA-N	-1	0	272.348	2.607	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000048450418	650267008	/nfs/dbraw/zinc/26/70/08/650267008.db2.gz	VMJHZHOCJYDIGB-UHFFFAOYSA-N	-1	0	279.408	2.537	20	30		CFEDRM
C[C@H](Sc1ccccc1Cl)C(=O)[N-]S(C)(=O)=O	ZINC000048487404	650268254	/nfs/dbraw/zinc/26/82/54/650268254.db2.gz	CYMAVTHRJDGPHQ-ZETCQYMHSA-N	-1	0	293.797	2.737	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)o1	ZINC000048518340	650269403	/nfs/dbraw/zinc/26/94/03/650269403.db2.gz	GOXZXMRQRZFPJI-KTKRTIGZSA-N	-1	0	291.328	2.893	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048512252	650269558	/nfs/dbraw/zinc/26/95/58/650269558.db2.gz	VHRIXFTVOGKBJU-UHFFFAOYSA-N	-1	0	287.406	2.783	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C(C)C	ZINC000194598146	636793702	/nfs/dbraw/zinc/79/37/02/636793702.db2.gz	WDOKVZPQGGVUAC-UHFFFAOYSA-N	-1	0	263.403	2.591	20	30		CFEDRM
Cc1nn(C)c2ncc(C=CC(=O)c3sccc3[O-])cc12	ZINC000187999986	650311214	/nfs/dbraw/zinc/31/12/14/650311214.db2.gz	DTUKBPAPOQSKMK-ONEGZZNKSA-N	-1	0	299.355	2.940	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000075040241	650312380	/nfs/dbraw/zinc/31/23/80/650312380.db2.gz	CPVDQUJNVPDAEK-MRVPVSSYSA-N	-1	0	291.369	2.531	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C	ZINC000118608951	637252398	/nfs/dbraw/zinc/25/23/98/637252398.db2.gz	KYIACURCOWPYER-NEPJUHHUSA-N	-1	0	255.358	2.669	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)OCc1ccc(C)cc1	ZINC000862133333	637278590	/nfs/dbraw/zinc/27/85/90/637278590.db2.gz	YAYKUHVPQZDSBT-QWHCGFSZSA-N	-1	0	263.337	2.522	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)OCc1ccccc1C	ZINC000862133418	637278895	/nfs/dbraw/zinc/27/88/95/637278895.db2.gz	ZQGCZGMYJHKAFZ-CHWSQXEVSA-N	-1	0	263.337	2.522	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CC)c1ccc(Br)cc1	ZINC000862183770	637285597	/nfs/dbraw/zinc/28/55/97/637285597.db2.gz	LASJIFWCVLFLRN-LBPRGKRZSA-N	-1	0	296.164	2.624	20	30		CFEDRM
CC(C)(C(=O)[N-]OCC1CCC1)c1ccc(C#N)cc1	ZINC000862232661	637293099	/nfs/dbraw/zinc/29/30/99/637293099.db2.gz	GIGLFFFDCCSBTG-UHFFFAOYSA-N	-1	0	272.348	2.684	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@H]1CCCCO1	ZINC000863064705	637547789	/nfs/dbraw/zinc/54/77/89/637547789.db2.gz	OOLRUNLMOQAJGZ-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC(C1CCC1)C1CCC1	ZINC000864134695	637890107	/nfs/dbraw/zinc/89/01/07/637890107.db2.gz	AYQJHZQVPWDCTK-UHFFFAOYSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864178654	637904955	/nfs/dbraw/zinc/90/49/55/637904955.db2.gz	IINBJVMXOGTMDU-DGMVEKRQSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCSCCCC)C(=O)[O-]	ZINC000864183877	637906595	/nfs/dbraw/zinc/90/65/95/637906595.db2.gz	MZYDJSKOIYKVLX-SNVBAGLBSA-N	-1	0	293.816	2.622	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000864182688	637906639	/nfs/dbraw/zinc/90/66/39/637906639.db2.gz	CQADWMQTJSKXHW-SECBINFHSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000864182934	637906808	/nfs/dbraw/zinc/90/68/08/637906808.db2.gz	FVMJRKSWQPNVJK-WCBMZHEXSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1cccs1)C(=O)[O-]	ZINC000864182683	637906810	/nfs/dbraw/zinc/90/68/10/637906810.db2.gz	CNADODWJUMXKPX-DTWKUNHWSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCSCCCC)C(=O)[O-]	ZINC000864183876	637906839	/nfs/dbraw/zinc/90/68/39/637906839.db2.gz	MZYDJSKOIYKVLX-JTQLQIEISA-N	-1	0	293.816	2.622	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000864183789	637906849	/nfs/dbraw/zinc/90/68/49/637906849.db2.gz	MLROFUIVXMPTSK-WCQGTBRESA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000864184245	637907136	/nfs/dbraw/zinc/90/71/36/637907136.db2.gz	PLJDYYYAQNWXBJ-JOYOIKCWSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000864185053	637907686	/nfs/dbraw/zinc/90/76/86/637907686.db2.gz	SFTQUKZFCYDDJY-GWCFXTLKSA-N	-1	0	295.766	2.577	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000864185816	637907757	/nfs/dbraw/zinc/90/77/57/637907757.db2.gz	CPXJZJCTNUNLQT-WOPDTQHZSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000864186596	637908138	/nfs/dbraw/zinc/90/81/38/637908138.db2.gz	SPWWLFJTNXAOLI-ZDUSSCGKSA-N	-1	0	293.750	2.890	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000864186462	637908238	/nfs/dbraw/zinc/90/82/38/637908238.db2.gz	PYYITCXZAGFHNT-MNOVXSKESA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000864187238	637908243	/nfs/dbraw/zinc/90/82/43/637908243.db2.gz	HGFCVUYHYNJCTD-IEHMKBBKSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CCCCCCCC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000864187521	637909356	/nfs/dbraw/zinc/90/93/56/637909356.db2.gz	AEPFXZMOHFOLAP-UHFFFAOYSA-N	-1	0	267.369	2.955	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1	ZINC000864210358	637915915	/nfs/dbraw/zinc/91/59/15/637915915.db2.gz	LZCOWHVJZRVQGK-OGIUKLMXSA-N	-1	0	299.370	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864520179	638009991	/nfs/dbraw/zinc/00/99/91/638009991.db2.gz	MNQQTMKOSCICBB-JSGCOSHPSA-N	-1	0	290.363	2.509	20	30		CFEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C	ZINC000077882313	650459120	/nfs/dbraw/zinc/45/91/20/650459120.db2.gz	VERWIGKMSRCGCC-NHCYSSNCSA-N	-1	0	267.350	2.690	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1Cc2ccc(Cl)cc21	ZINC000869153843	639051247	/nfs/dbraw/zinc/05/12/47/639051247.db2.gz	XMGLZMQAVXLLQA-LBPRGKRZSA-N	-1	0	251.713	2.604	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccnc3ccccc32)CC1	ZINC000869283117	639131098	/nfs/dbraw/zinc/13/10/98/639131098.db2.gz	ZWHIBMHYNZUTIU-UHFFFAOYSA-N	-1	0	282.343	2.890	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000122697290	639339638	/nfs/dbraw/zinc/33/96/38/639339638.db2.gz	WUCGFCPIKNGOMI-HWKANZROSA-N	-1	0	280.686	2.814	20	30		CFEDRM
CCCC[C@H](CC)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122749857	639378108	/nfs/dbraw/zinc/37/81/08/639378108.db2.gz	INWWHWRTZISKQK-STQMWFEESA-N	-1	0	289.379	2.918	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C2(C(F)F)CCCC2)c1	ZINC000870691025	639773565	/nfs/dbraw/zinc/77/35/65/639773565.db2.gz	XZTGLUQKKMOAHW-UHFFFAOYSA-N	-1	0	280.274	2.794	20	30		CFEDRM
CCCCSCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693527	639775333	/nfs/dbraw/zinc/77/53/33/639775333.db2.gz	KWHGFCWLRQAMBG-UHFFFAOYSA-N	-1	0	264.350	2.502	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccccc2C(C)C)CC1	ZINC000870838521	641091437	/nfs/dbraw/zinc/09/14/37/641091437.db2.gz	CPQKEVMJKMIUJE-UHFFFAOYSA-N	-1	0	293.388	2.588	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC[C@@H](C)CC)CC1	ZINC000870835897	641091749	/nfs/dbraw/zinc/09/17/49/641091749.db2.gz	MWSFGJBIQHCTCM-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCCC2)CC1	ZINC000870838696	641091798	/nfs/dbraw/zinc/09/17/98/641091798.db2.gz	KIUUJQZOFIGVFQ-MDZDMXLPSA-N	-1	0	297.420	2.678	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1csc2ccccc21	ZINC000193355381	650646279	/nfs/dbraw/zinc/64/62/79/650646279.db2.gz	WSVXFFSUESIUEB-GFCCVEGCSA-N	-1	0	298.367	2.846	20	30		CFEDRM
C=CCC(F)(F)C(=O)[N-]OCCCC(F)(F)F	ZINC000871215556	641252725	/nfs/dbraw/zinc/25/27/25/641252725.db2.gz	BDCUFZSMWDCHOH-UHFFFAOYSA-N	-1	0	261.190	2.588	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000193376227	650648611	/nfs/dbraw/zinc/64/86/11/650648611.db2.gz	NTXLOUFVOGAFCR-CQSZACIVSA-N	-1	0	272.348	2.624	20	30		CFEDRM
CC(C)(C)c1[n-]n(Cc2ccc(C#N)o2)c(=O)c1CCC#N	ZINC000871736672	641430574	/nfs/dbraw/zinc/43/05/74/641430574.db2.gz	UJAPOFNWAXEDJE-UHFFFAOYSA-N	-1	0	298.346	2.855	20	30		CFEDRM
N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CCCCC3)c1	ZINC000871954409	641527089	/nfs/dbraw/zinc/52/70/89/641527089.db2.gz	JWEYUEBLAZSNIK-SNVBAGLBSA-N	-1	0	288.738	2.890	20	30		CFEDRM
[O-]c1c(C=NO[C@@H]2CCCCO2)ccc(F)c1F	ZINC000872360416	641768203	/nfs/dbraw/zinc/76/82/03/641768203.db2.gz	LMGMDDZXTSYGNH-SNVBAGLBSA-N	-1	0	257.236	2.548	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCC(F)(F)C2)nc1	ZINC000872360541	641768462	/nfs/dbraw/zinc/76/84/62/641768462.db2.gz	PJKLHFCOCRIZLF-MRVPVSSYSA-N	-1	0	269.251	2.613	20	30		CFEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000872380176	641782949	/nfs/dbraw/zinc/78/29/49/641782949.db2.gz	WIESQHFSYYUXIX-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000872387635	641786780	/nfs/dbraw/zinc/78/67/80/641786780.db2.gz	UNGRZOPOYODOHS-CYBMUJFWSA-N	-1	0	290.363	2.918	20	30		CFEDRM
Cc1c(N=NCCCOCC(F)F)cccc1C(=O)[O-]	ZINC000872387808	641786877	/nfs/dbraw/zinc/78/68/77/641786877.db2.gz	WFYWCPSSWSBETG-UHFFFAOYSA-N	-1	0	286.278	2.763	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC[C@@H]2CCCC2(F)F)c1	ZINC000872406707	641796256	/nfs/dbraw/zinc/79/62/56/641796256.db2.gz	LDSUUEXZUYKESM-LBPRGKRZSA-N	-1	0	282.290	2.744	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000872885458	641955990	/nfs/dbraw/zinc/95/59/90/641955990.db2.gz	LFXLLWMUHRSYMP-GOSISDBHSA-N	-1	0	299.370	2.546	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2c(C)ccc(C)c2C(=O)[O-])C1	ZINC000872982253	641976919	/nfs/dbraw/zinc/97/69/19/641976919.db2.gz	SUOUGGOATAZGEF-CQSZACIVSA-N	-1	0	299.370	2.877	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000872981905	641976981	/nfs/dbraw/zinc/97/69/81/641976981.db2.gz	PEIPASKUOVKGQV-AWEZNQCLSA-N	-1	0	291.391	2.674	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000873006075	641982778	/nfs/dbraw/zinc/98/27/78/641982778.db2.gz	YJIAWCWPSVUEQZ-RYUDHWBXSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000873006088	641982807	/nfs/dbraw/zinc/98/28/07/641982807.db2.gz	YOCCDFFOQNSZBK-WDEREUQCSA-N	-1	0	287.425	2.690	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1noc(C2CC2)n1	ZINC000194804997	650729740	/nfs/dbraw/zinc/72/97/40/650729740.db2.gz	IMLRDFUOXALHDU-UHFFFAOYSA-N	-1	0	287.385	2.659	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F	ZINC000873565332	642252131	/nfs/dbraw/zinc/25/21/31/642252131.db2.gz	NNLPTGXZGWRZRB-LLVKDONJSA-N	-1	0	299.367	2.689	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874401839	642379766	/nfs/dbraw/zinc/37/97/66/642379766.db2.gz	RVWGKOZACSXONX-LBPRGKRZSA-N	-1	0	276.336	2.539	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)cn2)n1	ZINC000125901007	642846132	/nfs/dbraw/zinc/84/61/32/642846132.db2.gz	ZTAWGBMOPMBANR-SNVBAGLBSA-N	-1	0	257.318	2.645	20	30		CFEDRM
CC(C)[C@@H](CNc1nc2ccccc2cc1C#N)C(=O)[O-]	ZINC000087508403	650803811	/nfs/dbraw/zinc/80/38/11/650803811.db2.gz	UGVAFODROOPHJS-CYBMUJFWSA-N	-1	0	283.331	2.875	20	30		CFEDRM
C=CCC[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCC	ZINC000877572113	643370006	/nfs/dbraw/zinc/37/00/06/643370006.db2.gz	MWFJPOKFGKCQMG-LBPRGKRZSA-N	-1	0	299.317	2.658	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1F	ZINC000089983307	650862117	/nfs/dbraw/zinc/86/21/17/650862117.db2.gz	TVCOLWHOMUPBKK-DAXSKMNVSA-N	-1	0	289.303	2.885	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1	ZINC000092466418	650920415	/nfs/dbraw/zinc/92/04/15/650920415.db2.gz	VPQDHJHNMXEKGG-UHFFFAOYSA-N	-1	0	292.335	2.578	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCS2)c1	ZINC000129343640	645160721	/nfs/dbraw/zinc/16/07/21/645160721.db2.gz	BHZQBGJDVUOZBW-DELQEKLWSA-N	-1	0	266.322	2.615	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c(C3CCCC3)cc2=O)cc1	ZINC000132850576	645974754	/nfs/dbraw/zinc/97/47/54/645974754.db2.gz	AXVKQERIHMCXFX-UHFFFAOYSA-N	-1	0	253.305	2.841	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(F)c2F)c1	ZINC000134099050	646280364	/nfs/dbraw/zinc/28/03/64/646280364.db2.gz	AQHPLXYTYTUVHA-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1sccc1Cl	ZINC000884471006	646375252	/nfs/dbraw/zinc/37/52/52/646375252.db2.gz	IXSZAUKKTVMDON-SECBINFHSA-N	-1	0	274.773	2.968	20	30		CFEDRM
O=C(/C=C/c1cccc(O)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136508762	646843295	/nfs/dbraw/zinc/84/32/95/646843295.db2.gz	HCTUKFQABLRBBO-GQCTYLIASA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cccc2oc(C)nc21	ZINC000886411428	646996617	/nfs/dbraw/zinc/99/66/17/646996617.db2.gz	UWRRCCMIWFBPID-UHFFFAOYSA-N	-1	0	280.349	2.844	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCC3(CCC3)O2)c1	ZINC000887269863	647256720	/nfs/dbraw/zinc/25/67/20/647256720.db2.gz	CQECMYPVRCHYPW-BPKVKKHESA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000887324961	647271522	/nfs/dbraw/zinc/27/15/22/647271522.db2.gz	AHSYKIDGGMYSFK-SECBINFHSA-N	-1	0	277.311	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000887325767	647272073	/nfs/dbraw/zinc/27/20/73/647272073.db2.gz	ZUWGLDXYZUFRPK-VIFPVBQESA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])CC1	ZINC000887326615	647272397	/nfs/dbraw/zinc/27/23/97/647272397.db2.gz	HYIUJELTKNRAFI-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CC[C@H]([NH2+]Cc1cc(C)no1)c1cccc(C#N)c1[O-]	ZINC000924957878	648079592	/nfs/dbraw/zinc/07/95/92/648079592.db2.gz	BBWGIQLIICYJJJ-AWEZNQCLSA-N	-1	0	271.320	2.801	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926566464	648535256	/nfs/dbraw/zinc/53/52/56/648535256.db2.gz	BCROLXQDDQHJAD-VHSXEESVSA-N	-1	0	277.748	2.743	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926567287	648536067	/nfs/dbraw/zinc/53/60/67/648536067.db2.gz	PFURSMBYDKWIAZ-GHMZBOCLSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000931466333	649435051	/nfs/dbraw/zinc/43/50/51/649435051.db2.gz	WXEMTYGURNRXNJ-SNVBAGLBSA-N	-1	0	287.319	2.571	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cccc(F)c1[O-])C1CCCCC1	ZINC000934135503	649754391	/nfs/dbraw/zinc/75/43/91/649754391.db2.gz	VQRSNOLQVQOYQX-CYBMUJFWSA-N	-1	0	276.311	2.734	20	30		CFEDRM
Oc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000254432901	651088771	/nfs/dbraw/zinc/08/87/71/651088771.db2.gz	XAJFSXCDNPQGHJ-UHFFFAOYSA-N	-1	0	288.254	2.547	20	30		CFEDRM
COc1ccnc(-c2cc(F)cc(F)c2[O-])c1C#N	ZINC001243500677	782236683	/nfs/dbraw/zinc/23/66/83/782236683.db2.gz	ROFGRWFZXPFCKD-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cc(-c2cc(F)cc(F)c2[O-])ncc1C#N	ZINC001243501156	782237152	/nfs/dbraw/zinc/23/71/52/782237152.db2.gz	YQGAOIIBXZJREX-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243507916	782244604	/nfs/dbraw/zinc/24/46/04/782244604.db2.gz	ABPMZYDZUTULED-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243509549	782245658	/nfs/dbraw/zinc/24/56/58/782245658.db2.gz	MVXJXKLDYKLMCW-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1nc(C#N)c(Nc2cc(C)cc(C(=O)[O-])c2)o1	ZINC001211539341	770877626	/nfs/dbraw/zinc/87/76/26/770877626.db2.gz	RHHQPJAXIXGCSS-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=S)nnc1C	ZINC001227599841	777857591	/nfs/dbraw/zinc/85/75/91/777857591.db2.gz	AXFLFQQORLGDRT-JTQLQIEISA-N	-1	0	253.371	2.982	20	30		CFEDRM
O=C(/C=C\c1cnc2ccccn12)c1ccc(O)cc1[O-]	ZINC000255152611	770325339	/nfs/dbraw/zinc/32/53/39/770325339.db2.gz	WQTOJSCHYJYHEI-DAXSKMNVSA-N	-1	0	280.283	2.642	20	30		CFEDRM
Cc1cnc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1	ZINC001211508260	770516893	/nfs/dbraw/zinc/51/68/93/770516893.db2.gz	GRUMDRLSJNRHDL-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000588523909	770929941	/nfs/dbraw/zinc/92/99/41/770929941.db2.gz	GBTOLDJYAADWPQ-RJRFIUFISA-N	-1	0	288.234	2.731	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc2ccccc2o1	ZINC000588539157	770964304	/nfs/dbraw/zinc/96/43/04/770964304.db2.gz	DVMQZNRFNNVFCD-FOQNGQEVSA-N	-1	0	290.282	2.507	20	30		CFEDRM
O=C(C=Cc1cnc2ccccn12)c1sccc1[O-]	ZINC000588561753	773208753	/nfs/dbraw/zinc/20/87/53/773208753.db2.gz	UCALJLYNTACFRD-PLNGDYQASA-N	-1	0	270.313	2.998	20	30		CFEDRM
C#Cc1ccc(Nc2cc(CC(=O)[O-])ccc2F)cn1	ZINC001216681524	773210974	/nfs/dbraw/zinc/21/09/74/773210974.db2.gz	XJRHDVVERWSWIE-UHFFFAOYSA-N	-1	0	270.263	2.573	20	30		CFEDRM
C=C(C)C(=O)NCCCNc1ccc2oc(=S)[n-]c2c1	ZINC001167669544	775132226	/nfs/dbraw/zinc/13/22/26/775132226.db2.gz	IWWBWYCXNSXQIS-UHFFFAOYSA-N	-1	0	291.376	2.611	20	30		CFEDRM
Cn1ncc(Cl)c1C=CC(=O)c1sccc1[O-]	ZINC000588599181	775262285	/nfs/dbraw/zinc/26/22/85/775262285.db2.gz	RMFBPBVGXBSFCQ-IHWYPQMZSA-N	-1	0	268.725	2.737	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cs2)C(=O)O1	ZINC000588601288	775267616	/nfs/dbraw/zinc/26/76/16/775267616.db2.gz	HINUXYOBBWKSNM-ZZKXABKFSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225563198	775501675	/nfs/dbraw/zinc/50/16/75/775501675.db2.gz	SABJDOGMOCFKQL-SECBINFHSA-N	-1	0	266.728	2.819	20	30		CFEDRM
C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1C#N	ZINC001225562900	775502446	/nfs/dbraw/zinc/50/24/46/775502446.db2.gz	NULDMXQUDGFFHL-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C=C[C@H](CCC)Oc1[nH]c(=O)ncc1C(F)(F)F	ZINC001225577119	775508415	/nfs/dbraw/zinc/50/84/15/775508415.db2.gz	SUBODQWXLPOCMT-SSDOTTSWSA-N	-1	0	262.231	2.935	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225977749	775655295	/nfs/dbraw/zinc/65/52/95/775655295.db2.gz	KEPVLDGVZIRRJD-QMMMGPOBSA-N	-1	0	274.242	2.628	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008232	775666051	/nfs/dbraw/zinc/66/60/51/775666051.db2.gz	GIEQLXCAACDDJK-LLVKDONJSA-N	-1	0	262.284	2.759	20	30		CFEDRM
C[C@H]1CC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008883	775666195	/nfs/dbraw/zinc/66/61/95/775666195.db2.gz	NKJOYDPNPGSMBT-CZMCAQCFSA-N	-1	0	250.273	2.755	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCc2ccccc2C1	ZINC001226008620	775666245	/nfs/dbraw/zinc/66/62/45/775666245.db2.gz	KTMYKDPQABUKHH-CYBMUJFWSA-N	-1	0	284.290	2.734	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H](C#N)c1cccc(F)c1	ZINC001226015044	775669166	/nfs/dbraw/zinc/66/91/66/775669166.db2.gz	FFGDEJYCVRXKQJ-GFCCVEGCSA-N	-1	0	287.225	2.581	20	30		CFEDRM
[O-]/N=C/c1cccc(O[C@H]2CC(F)(F)C2(F)F)c1	ZINC001226117109	775706282	/nfs/dbraw/zinc/70/62/82/775706282.db2.gz	YBNWOHAOSCRMAQ-SWEBQMAJSA-N	-1	0	263.190	2.916	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2nc(C)cc(=O)[n-]2)C(C)(C)O1	ZINC001226159588	775719933	/nfs/dbraw/zinc/71/99/33/775719933.db2.gz	QZVVWOJJWRHSDL-ABAIWWIYSA-N	-1	0	278.352	2.772	20	30		CFEDRM
C[Si](C)(C)C#C[C@@H](Oc1nncc(=O)[n-]1)c1ccccc1	ZINC001226167605	775723496	/nfs/dbraw/zinc/72/34/96/775723496.db2.gz	HPIJDKRRCUAXKB-CYBMUJFWSA-N	-1	0	299.406	2.578	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C(C)C)C(F)(F)F)c1C#N	ZINC001226221626	775739929	/nfs/dbraw/zinc/73/99/29/775739929.db2.gz	OJECNZOMRQJARG-JTQLQIEISA-N	-1	0	274.242	2.933	20	30		CFEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cn1	ZINC001226222199	775740994	/nfs/dbraw/zinc/74/09/94/775740994.db2.gz	VNEBTAKNDNFIRX-NSHDSACASA-N	-1	0	269.304	2.811	20	30		CFEDRM
Cc1cc(=O)[n-]c(OCc2ccnc(OC(C)C)c2)c1C#N	ZINC001226223805	775742898	/nfs/dbraw/zinc/74/28/98/775742898.db2.gz	UVOZRGDJTGBWRM-UHFFFAOYSA-N	-1	0	299.330	2.729	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1	ZINC001226330837	775781203	/nfs/dbraw/zinc/78/12/03/775781203.db2.gz	DFLJNDBFFPQYLW-PWSUYJOCSA-N	-1	0	291.307	2.770	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346853	775786451	/nfs/dbraw/zinc/78/64/51/775786451.db2.gz	MACNQUNYBHSPFP-QMMMGPOBSA-N	-1	0	274.242	2.772	20	30		CFEDRM
C=CCC[C@H](CC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226415474	775811815	/nfs/dbraw/zinc/81/18/15/775811815.db2.gz	HHDBHTQFDAJCDP-NSHDSACASA-N	-1	0	286.349	2.763	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)nnc2C)C1	ZINC001226460404	775831989	/nfs/dbraw/zinc/83/19/89/775831989.db2.gz	CWEYLBSAELEHPL-RYUDHWBXSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226976249	776043583	/nfs/dbraw/zinc/04/35/83/776043583.db2.gz	JDDUOGQETCJPOH-LLVKDONJSA-N	-1	0	273.336	2.832	20	30		CFEDRM
Cc1cc(Nc2cc(C#N)c(C#N)cc2N)ccc1C(=O)[O-]	ZINC001211660767	776204605	/nfs/dbraw/zinc/20/46/05/776204605.db2.gz	KBQUYBYJVXVNAS-UHFFFAOYSA-N	-1	0	292.298	2.762	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=S)nnc1C	ZINC001227599341	776237884	/nfs/dbraw/zinc/23/78/84/776237884.db2.gz	ZTUPLNOCRNTZHD-JTQLQIEISA-N	-1	0	253.371	2.982	20	30		CFEDRM
C#C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccncc1	ZINC001227605047	776241080	/nfs/dbraw/zinc/24/10/80/776241080.db2.gz	CIUYADYVFURMMC-MRVPVSSYSA-N	-1	0	296.113	2.637	20	30		CFEDRM
CC#C[C@@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605684	776241411	/nfs/dbraw/zinc/24/14/11/776241411.db2.gz	LQRHDJSVJLMGQL-ZCFIWIBFSA-N	-1	0	261.108	2.670	20	30		CFEDRM
C=CC[C@@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(C)C	ZINC001227627917	776248211	/nfs/dbraw/zinc/24/82/11/776248211.db2.gz	JYBJFFLVKDJIGU-MRVPVSSYSA-N	-1	0	299.352	2.792	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[nH]c21	ZINC001227695835	776260651	/nfs/dbraw/zinc/26/06/51/776260651.db2.gz	QKGFQEOUEXURKV-SECBINFHSA-N	-1	0	276.296	2.990	20	30		CFEDRM
C=CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)C(C)C	ZINC001227696526	776260917	/nfs/dbraw/zinc/26/09/17/776260917.db2.gz	YGZBWYAIKLWWEH-SNVBAGLBSA-N	-1	0	276.296	2.846	20	30		CFEDRM
C=CC[C@@H](Oc1nc(=O)[n-]c2c1CO[C@H]2C)C(C)C	ZINC001227715747	776268328	/nfs/dbraw/zinc/26/83/28/776268328.db2.gz	FWWPBAOJYZTSAD-GXSJLCMTSA-N	-1	0	264.325	2.753	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004349	776357565	/nfs/dbraw/zinc/35/75/65/776357565.db2.gz	JZCDEXMWKHYVBM-NSHDSACASA-N	-1	0	283.331	2.713	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)o1	ZINC000125678040	776413435	/nfs/dbraw/zinc/41/34/35/776413435.db2.gz	DUDAORRNVCEHOH-GFCCVEGCSA-N	-1	0	276.336	2.607	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)ncc1Cl	ZINC001228483477	776504573	/nfs/dbraw/zinc/50/45/73/776504573.db2.gz	TXAHTDNFJSTNMV-SECBINFHSA-N	-1	0	266.728	2.819	20	30		CFEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21	ZINC001228686846	776567695	/nfs/dbraw/zinc/56/76/95/776567695.db2.gz	QONSBELSSFVPKO-JTQLQIEISA-N	-1	0	296.330	2.849	20	30		CFEDRM
COc1ccccc1[C@@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228899367	776650254	/nfs/dbraw/zinc/65/02/54/776650254.db2.gz	WEKRNYGTFWVYLJ-SNVBAGLBSA-N	-1	0	270.288	2.807	20	30		CFEDRM
C[C@@H](COc1[n-]c(=O)ccc1C#N)OCc1ccccc1	ZINC001228899993	776651325	/nfs/dbraw/zinc/65/13/25/776651325.db2.gz	BUWWIIMVOBYSQP-LBPRGKRZSA-N	-1	0	284.315	2.643	20	30		CFEDRM
C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901548	776651829	/nfs/dbraw/zinc/65/18/29/776651829.db2.gz	MOFJDIFNFHQBSL-NSHDSACASA-N	-1	0	254.289	2.669	20	30		CFEDRM
Cc1ccc(OC[C@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228903101	776653031	/nfs/dbraw/zinc/65/30/31/776653031.db2.gz	VLHAVIGHXPEMIH-LBPRGKRZSA-N	-1	0	284.315	2.814	20	30		CFEDRM
CC#C[C@H](CC)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214195	776754193	/nfs/dbraw/zinc/75/41/93/776754193.db2.gz	CHEZGOCXBLJBJS-NSHDSACASA-N	-1	0	288.299	2.688	20	30		CFEDRM
CCC#C[C@@H](C)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214995	776754386	/nfs/dbraw/zinc/75/43/86/776754386.db2.gz	JEIMUVLHGZDUFD-SNVBAGLBSA-N	-1	0	288.299	2.688	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1ccccc1-c1nn[nH]n1	ZINC001229951729	776922536	/nfs/dbraw/zinc/92/25/36/776922536.db2.gz	UNOSFQWHMWJXMZ-VIFPVBQESA-N	-1	0	278.381	2.733	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc[n-]c(=O)c1Cl	ZINC001230015003	776939696	/nfs/dbraw/zinc/93/96/96/776939696.db2.gz	RWXDTIIFYMHHAG-SECBINFHSA-N	-1	0	254.717	2.797	20	30		CFEDRM
N#CC1CC(Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1	ZINC001231048060	777125505	/nfs/dbraw/zinc/12/55/05/777125505.db2.gz	FJUXYDDOUMGNSN-UHFFFAOYSA-N	-1	0	283.118	2.946	20	30		CFEDRM
C=CC[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C(C)C	ZINC001231076516	777133643	/nfs/dbraw/zinc/13/36/43/777133643.db2.gz	NHIKZZHZXDPVBX-SSDOTTSWSA-N	-1	0	287.703	2.723	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1cccc(-c2nn[nH]n2)c1	ZINC001231119022	777147568	/nfs/dbraw/zinc/14/75/68/777147568.db2.gz	YACCUCOGWOBSOO-CYBMUJFWSA-N	-1	0	270.336	2.828	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231262311	777180478	/nfs/dbraw/zinc/18/04/78/777180478.db2.gz	FFAWNQJFGLEAFW-SECBINFHSA-N	-1	0	250.254	2.513	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCCCC(F)(F)C2)c1	ZINC001232673942	777636190	/nfs/dbraw/zinc/63/61/90/777636190.db2.gz	OOESWPIUUFPCBR-UHFFFAOYSA-N	-1	0	266.291	2.885	20	30		CFEDRM
N#Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)c([O-])c1	ZINC001233386798	777928951	/nfs/dbraw/zinc/92/89/51/777928951.db2.gz	JDOZJEKLRYMHCM-UHFFFAOYSA-N	-1	0	296.342	2.590	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccsc1	ZINC000127308504	777976465	/nfs/dbraw/zinc/97/64/65/777976465.db2.gz	IBEKURRORJKTPL-LBPRGKRZSA-N	-1	0	276.361	2.519	20	30		CFEDRM
N#CC[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387214	778082388	/nfs/dbraw/zinc/08/23/88/778082388.db2.gz	MCQHLHCOMHICGL-NSHDSACASA-N	-1	0	275.695	2.869	20	30		CFEDRM
C=C[C@@H](CCCCCC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939461	778119281	/nfs/dbraw/zinc/11/92/81/778119281.db2.gz	JYPFPURUHHJZHL-JTQLQIEISA-N	-1	0	276.340	2.550	20	30		CFEDRM
CCC1=C(Oc2ccc(C(C)=NO)cc2)C(=O)[C@H](C)O1	ZINC001234083484	778161037	/nfs/dbraw/zinc/16/10/37/778161037.db2.gz	MNEPPFHSGIGZRN-JTQLQIEISA-N	-1	0	275.304	2.873	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)ccc1C#N	ZINC001228900402	778206831	/nfs/dbraw/zinc/20/68/31/778206831.db2.gz	FRTVFVMXDSDFIP-MRVPVSSYSA-N	-1	0	252.339	2.525	20	30		CFEDRM
C[C@@H](Oc1ccccc1C#N)C(=O)[N-]OCc1ccccc1	ZINC000029855368	778228518	/nfs/dbraw/zinc/22/85/18/778228518.db2.gz	NWRQBDIZNYRVHR-CYBMUJFWSA-N	-1	0	296.326	2.574	20	30		CFEDRM
CC(C)[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511127	778240793	/nfs/dbraw/zinc/24/07/93/778240793.db2.gz	JUCVVLKCGMCSMN-VIFPVBQESA-N	-1	0	257.293	2.630	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234520305	778242462	/nfs/dbraw/zinc/24/24/62/778242462.db2.gz	QCTXWQHFVQWSQP-NSHDSACASA-N	-1	0	267.288	2.717	20	30		CFEDRM
CCn1c(O[C@@H](C)C2=CC=C[CH]2)cc(C)c(C#N)c1=O	ZINC001229326104	778297761	/nfs/dbraw/zinc/29/77/61/778297761.db2.gz	UNEVUUQMXXUGNT-LBPRGKRZSA-N	-1	0	269.324	2.516	20	30		CFEDRM
[O-]N=Cc1ccccc1OC[C@@H]1COc2cscc2O1	ZINC001234820242	778302469	/nfs/dbraw/zinc/30/24/69/778302469.db2.gz	SOKNFQORFOFSES-LLVKDONJSA-N	-1	0	291.328	2.775	20	30		CFEDRM
N#Cc1cc(N)c(Nc2ccc([O-])c(F)c2F)cc1C#N	ZINC001212011059	778326238	/nfs/dbraw/zinc/32/62/38/778326238.db2.gz	OYMSFDFFMFENMK-UHFFFAOYSA-N	-1	0	286.241	2.740	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3c(F)cc(F)c([O-])c3F)c12	ZINC001235985682	778641149	/nfs/dbraw/zinc/64/11/49/778641149.db2.gz	NNOCXVBZPSASRZ-UHFFFAOYSA-N	-1	0	290.204	2.619	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235987551	778642081	/nfs/dbraw/zinc/64/20/81/778642081.db2.gz	XLXODBCYGKUNPU-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
N#CCc1ncccc1-c1c(F)cc(F)c([O-])c1F	ZINC001236002507	778649224	/nfs/dbraw/zinc/64/92/24/778649224.db2.gz	OLOAWNHILONQFQ-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2)c(/C=N/O)c1	ZINC001236055329	778671054	/nfs/dbraw/zinc/67/10/54/778671054.db2.gz	IDOXISSUSFSQHP-LZYBPNLTSA-N	-1	0	256.261	2.563	20	30		CFEDRM
COc1ccc(CN2CCC[C@H]2C#N)c([O-])c1Cl	ZINC001236801072	778943355	/nfs/dbraw/zinc/94/33/55/778943355.db2.gz	FFOIMUJYEFRQQW-JTQLQIEISA-N	-1	0	266.728	2.542	20	30		CFEDRM
N#CCCCCNc1ncc(Cl)cc1C(=O)[O-]	ZINC001168429079	779015273	/nfs/dbraw/zinc/01/52/73/779015273.db2.gz	IMFKDXKJYNZPHF-UHFFFAOYSA-N	-1	0	253.689	2.539	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)COC2CCCCC2)c1	ZINC000176400026	779123985	/nfs/dbraw/zinc/12/39/85/779123985.db2.gz	HDRBMVJYMHOHSJ-UHFFFAOYSA-N	-1	0	274.320	2.552	20	30		CFEDRM
CSCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176406886	779125292	/nfs/dbraw/zinc/12/52/92/779125292.db2.gz	QDKTZMKLKWEZLC-UHFFFAOYSA-N	-1	0	264.350	2.736	20	30		CFEDRM
C[C@H]1CC[C@@H](CCC(=O)Nc2cc(C#N)ccc2[O-])O1	ZINC000176410144	779129602	/nfs/dbraw/zinc/12/96/02/779129602.db2.gz	BMLTUJLBBGWVDK-JQWIXIFHSA-N	-1	0	274.320	2.550	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)cc1	ZINC000130509010	779191295	/nfs/dbraw/zinc/19/12/95/779191295.db2.gz	PLABWQWPPBUTKV-CQSZACIVSA-N	-1	0	286.375	2.831	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237991575	779222369	/nfs/dbraw/zinc/22/23/69/779222369.db2.gz	BWFLYXFTJLTMCB-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998057	779227513	/nfs/dbraw/zinc/22/75/13/779227513.db2.gz	PUUGWWMTDBPLGU-QMMMGPOBSA-N	-1	0	254.692	2.530	20	30		CFEDRM
CCN(CCC#N)Cc1cc(Cl)c([O-])cc1F	ZINC001238152779	779264934	/nfs/dbraw/zinc/26/49/34/779264934.db2.gz	RMMSOZIYBUPQQN-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])cc3F)c1-2	ZINC001239246932	779483944	/nfs/dbraw/zinc/48/39/44/779483944.db2.gz	JJGHBILFAMNZRL-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1ncc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N	ZINC001239345804	779530432	/nfs/dbraw/zinc/53/04/32/779530432.db2.gz	GFDUXNRDQUTQCE-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
CO[C@@H]1CC[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC001116749203	780226215	/nfs/dbraw/zinc/22/62/15/780226215.db2.gz	CRQMFFMECCUYGV-AXAHTVNUSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C=CC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)C(=O)[O-]	ZINC001116921511	780268667	/nfs/dbraw/zinc/26/86/67/780268667.db2.gz	DDRQMORMFWFDMJ-GFCCVEGCSA-N	-1	0	293.750	2.517	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C)ccc1C#N	ZINC001240733865	780401147	/nfs/dbraw/zinc/40/11/47/780401147.db2.gz	XQRUMKLAKIPIPM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1nc(-c2ccc([O-])c(F)c2)c(F)cc1C#N	ZINC001240783572	780436719	/nfs/dbraw/zinc/43/67/19/780436719.db2.gz	VZXVCJCDYLQPQW-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])s2)nc1CC#N	ZINC001240846137	780472472	/nfs/dbraw/zinc/47/24/72/780472472.db2.gz	RDQKNXXJMTUZNH-UHFFFAOYSA-N	-1	0	274.301	2.583	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(CC(=O)[O-])cc1	ZINC001240971323	780559414	/nfs/dbraw/zinc/55/94/14/780559414.db2.gz	BJNZUXSVXFDNRS-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(CC(=O)[O-])cc1	ZINC001240971638	780560205	/nfs/dbraw/zinc/56/02/05/780560205.db2.gz	FMEHWAVNJNMGEK-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
O=C([O-])Cc1ccc(-c2ccccc2C=NO)cc1	ZINC001240977172	780565434	/nfs/dbraw/zinc/56/54/34/780565434.db2.gz	FWWUXRDETASQRC-UHFFFAOYSA-N	-1	0	255.273	2.789	20	30		CFEDRM
N#Cc1cc(O)ccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212515387	780624746	/nfs/dbraw/zinc/62/47/46/780624746.db2.gz	VFOHWUQABRFCKE-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
COc1nc(-c2c(F)cc([O-])cc2F)ccc1C#N	ZINC001241118210	780647764	/nfs/dbraw/zinc/64/77/64/780647764.db2.gz	NUPDQDUVJTUXME-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccn1	ZINC001241187893	780692150	/nfs/dbraw/zinc/69/21/50/780692150.db2.gz	ROWPLLOXHHJODL-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1nccc(-c2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001241187675	780692443	/nfs/dbraw/zinc/69/24/43/780692443.db2.gz	TWVWINNCQPOXKZ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(F)c(C(=O)[O-])c3)cnc12	ZINC001241245473	780729856	/nfs/dbraw/zinc/72/98/56/780729856.db2.gz	FHLKYPHDVOWTJA-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1cc([O-])cc(F)c1	ZINC001241263002	780742504	/nfs/dbraw/zinc/74/25/04/780742504.db2.gz	VTNMVXSVXCIFDQ-UHFFFAOYSA-N	-1	0	288.278	2.756	20	30		CFEDRM
COc1cccc(-c2cccc(C(=O)[O-])c2)c1C#N	ZINC001241358938	780808706	/nfs/dbraw/zinc/80/87/06/780808706.db2.gz	QRQCXLIKBPODIM-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
C=CC[C@H]1CCCN(c2ccc(C(=O)[O-])c(C)n2)C1	ZINC000703637282	781043474	/nfs/dbraw/zinc/04/34/74/781043474.db2.gz	BIKLCPGNZTYNEH-LBPRGKRZSA-N	-1	0	260.337	2.881	20	30		CFEDRM
N#Cc1nccc2cc(-c3cncc(C(=O)[O-])c3)ccc12	ZINC001241802955	781134567	/nfs/dbraw/zinc/13/45/67/781134567.db2.gz	MCJNEMXMTOSNMO-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1ccc(-c2cncc(C(=O)[O-])c2)c2cc[nH]c21	ZINC001241804403	781136089	/nfs/dbraw/zinc/13/60/89/781136089.db2.gz	SOMJNQHPVHEEHP-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1c(F)cncc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241833624	781148610	/nfs/dbraw/zinc/14/86/10/781148610.db2.gz	GHPSCHVVFDXXDX-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(-c2ncc(C#N)cc2C)cc1C(=O)[O-]	ZINC001241856435	781155440	/nfs/dbraw/zinc/15/54/40/781155440.db2.gz	XOWDGHSNJLMKFQ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2ccc(CC#N)c(C)n2)cc1C(=O)[O-]	ZINC001241862333	781157275	/nfs/dbraw/zinc/15/72/75/781157275.db2.gz	SAWMZVJUWZLGNH-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1ccc(-c2ccnc(C)c2C#N)cc1C(=O)[O-]	ZINC001241880451	781161714	/nfs/dbraw/zinc/16/17/14/781161714.db2.gz	AWWJPOBHVIWILX-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
[O-]/N=C/c1cc(-c2ncc[nH]2)cc(C(F)(F)F)c1	ZINC001242018932	781233560	/nfs/dbraw/zinc/23/35/60/781233560.db2.gz	RCKUNPOGGIUSIP-UBKPWBPPSA-N	-1	0	255.199	2.904	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(F)cc3[O-])cc12	ZINC001242218719	781332950	/nfs/dbraw/zinc/33/29/50/781332950.db2.gz	MWGAASSPARJHGQ-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
Cc1nc(-c2cccc(CC(=O)[O-])c2)ccc1C#N	ZINC001242261149	781346342	/nfs/dbraw/zinc/34/63/42/781346342.db2.gz	FFXHHHISGBEUSU-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1cccc(CC(=O)[O-])c1	ZINC001242259914	781346696	/nfs/dbraw/zinc/34/66/96/781346696.db2.gz	HZPDRLIBSIVGEN-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)cnc1-c1ccc(C(=O)[O-])nc1	ZINC001242334005	781404874	/nfs/dbraw/zinc/40/48/74/781404874.db2.gz	ODVMQQFHURSVSY-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cccc(F)c3[O-])cn12	ZINC001242352183	781425333	/nfs/dbraw/zinc/42/53/33/781425333.db2.gz	PYQCYLNIDKUQQX-UHFFFAOYSA-N	-1	0	253.236	2.718	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cccc(Cl)c2[O-])n1	ZINC001242365044	781438079	/nfs/dbraw/zinc/43/80/79/781438079.db2.gz	IOMYUKNPHVXENG-UHFFFAOYSA-N	-1	0	259.696	2.937	20	30		CFEDRM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001242380866	781450418	/nfs/dbraw/zinc/45/04/18/781450418.db2.gz	WRXYDNWLGNITRQ-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc2cc[nH]c2nc1C#N	ZINC001242391592	781460081	/nfs/dbraw/zinc/46/00/81/781460081.db2.gz	YINKSWIGXSTFGQ-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C#N)cc1C#N	ZINC001242391467	781460356	/nfs/dbraw/zinc/46/03/56/781460356.db2.gz	RZNKMUHZMWKGGL-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001242392145	781461288	/nfs/dbraw/zinc/46/12/88/781461288.db2.gz	LYGVSJZXGRBBQG-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccccc2C(=O)[O-])n1	ZINC001242879225	781818549	/nfs/dbraw/zinc/81/85/49/781818549.db2.gz	RYARYNRCFZYFRO-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2OC)nc1CC#N	ZINC001242920138	781841955	/nfs/dbraw/zinc/84/19/55/781841955.db2.gz	MKUCPIYZMXMPBP-UHFFFAOYSA-N	-1	0	298.298	2.530	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C)ccc1CC#N	ZINC001242922105	781843919	/nfs/dbraw/zinc/84/39/19/781843919.db2.gz	VLYGWQBKKFBIBN-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001242924405	781845835	/nfs/dbraw/zinc/84/58/35/781845835.db2.gz	QJNPMJSXEZAHTD-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cnccc1CC#N	ZINC001242924671	781846474	/nfs/dbraw/zinc/84/64/74/781846474.db2.gz	UPRDMGMTKRLXOJ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1SC	ZINC000594697883	349475677	/nfs/dbraw/zinc/47/56/77/349475677.db2.gz	RUSFJHIYODVOOV-MRVPVSSYSA-N	-1	0	288.369	2.591	20	30		CFEDRM
N#Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000125761825	187198862	/nfs/dbraw/zinc/19/88/62/187198862.db2.gz	XUVDFTJXJLIDOE-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2ccncn2)oc1CC	ZINC000354463888	529522233	/nfs/dbraw/zinc/52/22/33/529522233.db2.gz	JDTAUGUAQSVWCD-LLVKDONJSA-N	-1	0	269.304	2.684	20	30		CFEDRM
N#Cc1c(NCCCC(=O)[O-])cccc1C(F)F	ZINC000595965532	349773157	/nfs/dbraw/zinc/77/31/57/349773157.db2.gz	FDANGGAYEXLWOD-UHFFFAOYSA-N	-1	0	254.236	2.773	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)o1	ZINC000072678708	346935656	/nfs/dbraw/zinc/93/56/56/346935656.db2.gz	HXJDNNZMZAWZBK-ZDUSSCGKSA-N	-1	0	298.346	2.704	20	30		CFEDRM
CC(C)(CN=c1[n-]c(C#N)c(Cl)s1)OCC1CC1	ZINC000596271357	349849507	/nfs/dbraw/zinc/84/95/07/349849507.db2.gz	OEPWVEMJHGNJDM-UHFFFAOYSA-N	-1	0	285.800	2.707	20	30		CFEDRM
CC(C)(C)c1[n-]n(Cc2cncs2)c(=O)c1CCC#N	ZINC000596261483	349845465	/nfs/dbraw/zinc/84/54/65/349845465.db2.gz	VJSPPHFGQQNKDX-UHFFFAOYSA-N	-1	0	290.392	2.847	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)s1	ZINC000073087084	346960584	/nfs/dbraw/zinc/96/05/84/346960584.db2.gz	YDFJTLJFOONTAP-SECBINFHSA-N	-1	0	275.395	2.994	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)s1	ZINC000073087083	346960637	/nfs/dbraw/zinc/96/06/37/346960637.db2.gz	YDFJTLJFOONTAP-VIFPVBQESA-N	-1	0	275.395	2.994	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@H](C)c2ccccc2)c1O	ZINC000005110457	346210393	/nfs/dbraw/zinc/21/03/93/346210393.db2.gz	SRDVBCDHTSXRDT-PBFYJAPKSA-N	-1	0	270.332	2.768	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)c(C)c1	ZINC000076758083	347151760	/nfs/dbraw/zinc/15/17/60/347151760.db2.gz	DKWVBOUXHIEJFB-SOFGYWHQSA-N	-1	0	279.361	2.915	20	30		CFEDRM
CC(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000087506837	347496089	/nfs/dbraw/zinc/49/60/89/347496089.db2.gz	GPRGIWWHJCMVLM-LLVKDONJSA-N	-1	0	266.728	2.980	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)cc1	ZINC000107892668	347736747	/nfs/dbraw/zinc/73/67/47/347736747.db2.gz	JAGANBXGAISWFF-CYBMUJFWSA-N	-1	0	253.305	2.841	20	30		CFEDRM
N#Cc1cc(F)c(N2CCC[C@H](CC(=O)[O-])C2)c(F)c1	ZINC000126932690	347838509	/nfs/dbraw/zinc/83/85/09/347838509.db2.gz	UVFZTALVLOKIEI-SECBINFHSA-N	-1	0	280.274	2.528	20	30		CFEDRM
N#Cc1cc(F)c(N2CCC[C@@H](CCC(=O)[O-])C2)c(F)c1	ZINC000126930437	347838735	/nfs/dbraw/zinc/83/87/35/347838735.db2.gz	KKMNEZYYVMFLEY-JTQLQIEISA-N	-1	0	294.301	2.918	20	30		CFEDRM
N#Cc1cc(F)c(N2CCC[C@@H](CC(=O)[O-])C2)c(F)c1	ZINC000126932923	347838239	/nfs/dbraw/zinc/83/82/39/347838239.db2.gz	UVFZTALVLOKIEI-VIFPVBQESA-N	-1	0	280.274	2.528	20	30		CFEDRM
Cc1sc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c(C#N)c1C	ZINC000132682031	347886099	/nfs/dbraw/zinc/88/60/99/347886099.db2.gz	KOOBIKCUULPIMV-NXEZZACHSA-N	-1	0	292.360	2.676	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1Cl	ZINC000132654393	347886473	/nfs/dbraw/zinc/88/64/73/347886473.db2.gz	OYBNHRYKKDTOLZ-MNOVXSKESA-N	-1	0	292.722	2.651	20	30		CFEDRM
CC(C)[C@H](CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000133565732	347893093	/nfs/dbraw/zinc/89/30/93/347893093.db2.gz	GFUXEPYQRVPSCP-VIFPVBQESA-N	-1	0	268.263	2.605	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1Cl	ZINC000235435518	348227261	/nfs/dbraw/zinc/22/72/61/348227261.db2.gz	GMBMUCGLNRJHBP-QMMMGPOBSA-N	-1	0	280.711	2.651	20	30		CFEDRM
C[C@H]1CN(c2cccc(Cl)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000302566051	348374321	/nfs/dbraw/zinc/37/43/21/348374321.db2.gz	ZTSUDZFKEPKQGZ-VHSXEESVSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)o1	ZINC000588849057	348798414	/nfs/dbraw/zinc/79/84/14/348798414.db2.gz	NKSOZVIWYZRJJK-UHFFFAOYSA-N	-1	0	288.328	2.829	20	30		CFEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12	ZINC000329171856	539689651	/nfs/dbraw/zinc/68/96/51/539689651.db2.gz	KUAVHEMDYJKTBE-GARJFASQSA-N	-1	0	278.356	2.573	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@H](C)c2cccc(C#N)c2)o1	ZINC000590692273	348929775	/nfs/dbraw/zinc/92/97/75/348929775.db2.gz	KMOPLQKHOZAMOR-SNVBAGLBSA-N	-1	0	256.309	2.660	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@@H]2CCc3cc(C#N)ccc32)o1	ZINC000590700176	348930902	/nfs/dbraw/zinc/93/09/02/348930902.db2.gz	AUXHTZAIWZLNSX-CYBMUJFWSA-N	-1	0	268.320	2.586	20	30		CFEDRM
CC(C)(CC#N)CN=c1[n-]c(-c2ccccc2)no1	ZINC000591176474	348997200	/nfs/dbraw/zinc/99/72/00/348997200.db2.gz	KRIWMNDSBJIYMG-UHFFFAOYSA-N	-1	0	256.309	2.510	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NCCCCCC(=O)[O-]	ZINC000591326596	349009282	/nfs/dbraw/zinc/00/92/82/349009282.db2.gz	UOFTXAYHEGONCR-UHFFFAOYSA-N	-1	0	297.358	2.894	20	30		CFEDRM
C=CCCSCCNC(=O)c1s[n-]c(=O)c1Cl	ZINC000597970490	350166273	/nfs/dbraw/zinc/16/62/73/350166273.db2.gz	QKFSARQULBMNBB-UHFFFAOYSA-N	-1	0	292.813	2.541	20	30		CFEDRM
CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H](C)C#N	ZINC000598348070	350242011	/nfs/dbraw/zinc/24/20/11/350242011.db2.gz	COGIWLUFMODVOT-QMMMGPOBSA-N	-1	0	286.253	2.785	20	30		CFEDRM
CCN(C(=O)c1cccc(Br)c1[O-])[C@@H](C)C#N	ZINC000598359169	350247796	/nfs/dbraw/zinc/24/77/96/350247796.db2.gz	SHYXJFFVTJRFLG-QMMMGPOBSA-N	-1	0	297.152	2.529	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000598523052	350279922	/nfs/dbraw/zinc/27/99/22/350279922.db2.gz	XTEPOVICJGYPNI-UHFFFAOYSA-N	-1	0	278.308	2.775	20	30		CFEDRM
Cn1cc(C#N)c(=NC(=O)c2cccc(C3CCCC3)c2)[n-]1	ZINC000598817099	350333094	/nfs/dbraw/zinc/33/30/94/350333094.db2.gz	IEYSZMKLPTZQAC-UHFFFAOYSA-N	-1	0	294.358	2.624	20	30		CFEDRM
C[C@@H]1CN(c2cc(C#N)nc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000600803818	350614879	/nfs/dbraw/zinc/61/48/79/350614879.db2.gz	ZEIYQACSNBESLG-YPMHNXCESA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1ccc(-c2cnn([C@H](C)CC(=O)[O-])c2)cc1C#N	ZINC000600965960	350638667	/nfs/dbraw/zinc/63/86/67/350638667.db2.gz	YMGKSZWVDHRGTA-LLVKDONJSA-N	-1	0	269.304	2.766	20	30		CFEDRM
C[C@@H]1C[C@H]1c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000601064123	350656710	/nfs/dbraw/zinc/65/67/10/350656710.db2.gz	MRQVNMIGJJOHHW-BXUZGUMPSA-N	-1	0	294.358	2.782	20	30		CFEDRM
Cc1cc(CN=c2nc(C3(C)CC3)[n-]s2)ccc1C#N	ZINC000601065246	350656932	/nfs/dbraw/zinc/65/69/32/350656932.db2.gz	YSOLVSOCNIDYAO-UHFFFAOYSA-N	-1	0	284.388	2.804	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000601986025	350823864	/nfs/dbraw/zinc/82/38/64/350823864.db2.gz	NLNSDJMRWBPDMX-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1CCC#N	ZINC000601940910	350810899	/nfs/dbraw/zinc/81/08/99/350810899.db2.gz	SUWRBRLVNNTSPZ-LBPRGKRZSA-N	-1	0	275.739	2.978	20	30		CFEDRM
Cc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1CCC#N	ZINC000601941005	350810974	/nfs/dbraw/zinc/81/09/74/350810974.db2.gz	WMOUJRGRDRWXMN-GXTWGEPZSA-N	-1	0	255.321	2.886	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(F)cc2F)c(=O)c1CCC#N	ZINC000601941682	350811316	/nfs/dbraw/zinc/81/13/16/350811316.db2.gz	ZTBUTDXTEBYDPV-GFCCVEGCSA-N	-1	0	277.274	2.603	20	30		CFEDRM
CCCCCn1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601944867	350812669	/nfs/dbraw/zinc/81/26/69/350812669.db2.gz	OZQPCOZTFSACNR-UHFFFAOYSA-N	-1	0	255.321	2.685	20	30		CFEDRM
C=CCN(C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1ccccc1	ZINC000602010535	350829794	/nfs/dbraw/zinc/82/97/94/350829794.db2.gz	QFNGSSIGURWVGU-VXGBXAGGSA-N	-1	0	293.388	2.800	20	30		CFEDRM
CC(C)(C)c1csc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1C#N	ZINC000601994297	350825163	/nfs/dbraw/zinc/82/51/63/350825163.db2.gz	PHZBBBKLBQYDMG-SFYZADRCSA-N	-1	0	292.360	2.576	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000602007419	350828777	/nfs/dbraw/zinc/82/87/77/350828777.db2.gz	OJOBXWNKCUVKDA-RVMXOQNASA-N	-1	0	299.436	2.832	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC[C@H]1C#N	ZINC000602979002	351079931	/nfs/dbraw/zinc/07/99/31/351079931.db2.gz	ZTSZYSUFWYDICH-ONGXEEELSA-N	-1	0	288.376	2.521	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1CCC#N	ZINC000603923694	351191932	/nfs/dbraw/zinc/19/19/32/351191932.db2.gz	LUMVJGWFHBTNGH-CYBMUJFWSA-N	-1	0	255.321	2.946	20	30		CFEDRM
C=CCSCCN=c1[n-]nc(C(C)(C)CC)o1	ZINC000603281551	351130496	/nfs/dbraw/zinc/13/04/96/351130496.db2.gz	ZZIOPMJCDDSVBI-UHFFFAOYSA-N	-1	0	255.387	2.510	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1	ZINC000608830961	351479334	/nfs/dbraw/zinc/47/93/34/351479334.db2.gz	POCSADVRDVRUHC-UHFFFAOYSA-N	-1	0	276.299	2.642	20	30		CFEDRM
C[C@H](CCC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000123378907	187088490	/nfs/dbraw/zinc/08/84/90/187088490.db2.gz	VWQYHLRBDVLSHM-LLVKDONJSA-N	-1	0	293.330	2.675	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000618349169	352756566	/nfs/dbraw/zinc/75/65/66/352756566.db2.gz	MVLZUCWPWGYSDZ-JTQLQIEISA-N	-1	0	267.398	2.699	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000618349170	352756671	/nfs/dbraw/zinc/75/66/71/352756671.db2.gz	MVLZUCWPWGYSDZ-SNVBAGLBSA-N	-1	0	267.398	2.699	20	30		CFEDRM
CCc1nc(=NCc2ccc(C#N)c(Cl)c2)s[n-]1	ZINC000619746582	353062875	/nfs/dbraw/zinc/06/28/75/353062875.db2.gz	GZIKAFOXMDFPKC-UHFFFAOYSA-N	-1	0	278.768	2.660	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000621538117	353376048	/nfs/dbraw/zinc/37/60/48/353376048.db2.gz	GJGWXRPDGCPWTJ-LBPRGKRZSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000622163119	353488410	/nfs/dbraw/zinc/48/84/10/353488410.db2.gz	JCLRNLBZJNNRRX-CYBMUJFWSA-N	-1	0	267.398	2.699	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccnc(C)c2)s1	ZINC000621992944	353461570	/nfs/dbraw/zinc/46/15/70/353461570.db2.gz	PXYOZLXPJXXXHN-UHFFFAOYSA-N	-1	0	278.406	2.554	20	30		CFEDRM
FC(F)C(F)(F)CN=c1[n-]c(C(F)(F)F)cs1	ZINC000624417804	353878794	/nfs/dbraw/zinc/87/87/94/353878794.db2.gz	REUZSOQTYKWIPE-UHFFFAOYSA-N	-1	0	282.184	2.896	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000630228750	355030253	/nfs/dbraw/zinc/03/02/53/355030253.db2.gz	DPNCLANDRBGCRO-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000630230750	355031050	/nfs/dbraw/zinc/03/10/50/355031050.db2.gz	PSXZWZINYAPMRB-SNVBAGLBSA-N	-1	0	277.295	2.562	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630183464	355024361	/nfs/dbraw/zinc/02/43/61/355024361.db2.gz	XFVFNAHPZGDXOL-HIFRSBDPSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630182281	355024547	/nfs/dbraw/zinc/02/45/47/355024547.db2.gz	NDZFPISHKYMJKO-OCCSQVGLSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(C(=O)[O-])o2)C1	ZINC000630206905	355027854	/nfs/dbraw/zinc/02/78/54/355027854.db2.gz	XHWSAGOKGOSLLH-LLVKDONJSA-N	-1	0	277.320	2.715	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cnc2C)C1	ZINC000630205375	355027926	/nfs/dbraw/zinc/02/79/26/355027926.db2.gz	CZBVWWQKPYTCQT-LBPRGKRZSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630211666	355029094	/nfs/dbraw/zinc/02/90/94/355029094.db2.gz	MZIHIAZIVREQOK-PHIMTYICSA-N	-1	0	275.304	2.609	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000630312937	355048775	/nfs/dbraw/zinc/04/87/75/355048775.db2.gz	CIWYAKOETYMTMW-STQMWFEESA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC000630318855	355049367	/nfs/dbraw/zinc/04/93/67/355049367.db2.gz	NDRFLLJHMWSPCU-JTQLQIEISA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1ccc(C)cc1)C(=O)[O-]	ZINC000630318499	355049473	/nfs/dbraw/zinc/04/94/73/355049473.db2.gz	HXISTGOVMSNBBD-OAHLLOKOSA-N	-1	0	289.375	2.853	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)[O-]	ZINC000630317799	355049650	/nfs/dbraw/zinc/04/96/50/355049650.db2.gz	ANDIQQHDRFGCOX-AWEZNQCLSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC000630319895	355050061	/nfs/dbraw/zinc/05/00/61/355050061.db2.gz	KHCCHZFVEHMRCX-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000630319736	355050094	/nfs/dbraw/zinc/05/00/94/355050094.db2.gz	GXKQAWIPVLULQH-PWSUYJOCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000630319999	355050138	/nfs/dbraw/zinc/05/01/38/355050138.db2.gz	MSLPAWHFZSQLKZ-NSHDSACASA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000630321076	355050765	/nfs/dbraw/zinc/05/07/65/355050765.db2.gz	FGBVGKVVLXXHSM-JXQTWKCFSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000630326465	355052215	/nfs/dbraw/zinc/05/22/15/355052215.db2.gz	QJJWUAJBKXOCEC-ZFWWWQNUSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000630325048	355052269	/nfs/dbraw/zinc/05/22/69/355052269.db2.gz	GQWXJBFPYWGDEX-LSDHHAIUSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)cc1	ZINC000630961442	355231657	/nfs/dbraw/zinc/23/16/57/355231657.db2.gz	XZRQIADBMHQWKC-RISCZKNCSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000088570906	540297401	/nfs/dbraw/zinc/29/74/01/540297401.db2.gz	LOIWTGWGKHINAO-UHFFFAOYSA-N	-1	0	283.274	2.701	20	30		CFEDRM
C=CCN(CC=C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000088273615	540291585	/nfs/dbraw/zinc/29/15/85/540291585.db2.gz	GVFKHBOBDHXZBS-ZDUSSCGKSA-N	-1	0	282.384	2.507	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000685020124	540897707	/nfs/dbraw/zinc/89/77/07/540897707.db2.gz	PPDMYOXEBOSYDU-LRDDRELGSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CCCC1	ZINC000666108461	540991848	/nfs/dbraw/zinc/99/18/48/540991848.db2.gz	MGQFKCLYODHMDL-ZIAGYGMSSA-N	-1	0	291.391	2.906	20	30		CFEDRM
C=CCCCN(C)C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000135969091	541274471	/nfs/dbraw/zinc/27/44/71/541274471.db2.gz	JAWLWQZJCKKPEV-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
CC(=CC=Cc1ccncc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340975	240304124	/nfs/dbraw/zinc/30/41/24/240304124.db2.gz	QEPHBZLFRIPJEN-KFHPBGSASA-N	-1	0	278.315	2.874	20	30		CFEDRM
C=CCn1c(SCc2cccc(N(C)C)c2)n[nH]c1=O	ZINC000675297309	541635711	/nfs/dbraw/zinc/63/57/11/541635711.db2.gz	LKJGPAOHZJAZRO-UHFFFAOYSA-N	-1	0	290.392	2.528	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC=CCC1	ZINC000046928132	373069925	/nfs/dbraw/zinc/06/99/25/373069925.db2.gz	ZQZKQHYNURSXNA-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
N#Cc1c[n-]n2c1nc(CSC1CCCCC1)cc2=O	ZINC000048499872	373194729	/nfs/dbraw/zinc/19/47/29/373194729.db2.gz	IKOSVWZHNJVYJF-UHFFFAOYSA-N	-1	0	288.376	2.872	20	30		CFEDRM
CN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094072586	375340021	/nfs/dbraw/zinc/34/00/21/375340021.db2.gz	QFHGQMIBOBVUBU-UHFFFAOYSA-N	-1	0	274.707	2.794	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000094703572	375374758	/nfs/dbraw/zinc/37/47/58/375374758.db2.gz	SARGESZYGZNFPO-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
N#CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000126460675	377228606	/nfs/dbraw/zinc/22/86/06/377228606.db2.gz	PUEFUDLQSIJTKV-UHFFFAOYSA-N	-1	0	286.718	2.966	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC000679400177	542188662	/nfs/dbraw/zinc/18/86/62/542188662.db2.gz	MSZIXSXISWTXQP-CYBMUJFWSA-N	-1	0	265.353	2.611	20	30		CFEDRM
C[C@H]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000132040968	377794197	/nfs/dbraw/zinc/79/41/97/377794197.db2.gz	CFWKJMRSKOPKTL-ONGXEEELSA-N	-1	0	298.795	2.679	20	30		CFEDRM
CC(C)CCNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330644488	378593153	/nfs/dbraw/zinc/59/31/53/378593153.db2.gz	SQTCTSXRDZVQJL-UHFFFAOYSA-N	-1	0	270.402	2.630	20	30		CFEDRM
C=CCN(C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1CC1	ZINC000162185591	378899287	/nfs/dbraw/zinc/89/92/87/378899287.db2.gz	GDFXWYTXXWHYNU-QGZVFWFLSA-N	-1	0	287.359	2.596	20	30		CFEDRM
N#Cc1cc(Br)ccc1NCCCC(=O)[O-]	ZINC000162977300	378946773	/nfs/dbraw/zinc/94/67/73/378946773.db2.gz	VIZGBGCHJVSDTN-UHFFFAOYSA-N	-1	0	283.125	2.597	20	30		CFEDRM
C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C#N)c(O)c2)C1	ZINC000335524933	379452159	/nfs/dbraw/zinc/45/21/59/379452159.db2.gz	WEDZZYRPSLCVPS-MFKMUULPSA-N	-1	0	258.321	2.524	20	30		CFEDRM
N#CCC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000336144096	380273443	/nfs/dbraw/zinc/27/34/43/380273443.db2.gz	OMNZRYUVOAERMF-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
N#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1	ZINC000336510898	380387375	/nfs/dbraw/zinc/38/73/75/380387375.db2.gz	VNQSGJQYHPFAIZ-GFCCVEGCSA-N	-1	0	288.253	2.665	20	30		CFEDRM
CN(Cc1cccs1)C(=O)c1ccc(C#N)c(O)c1	ZINC000336577180	380492719	/nfs/dbraw/zinc/49/27/19/380492719.db2.gz	WGKNEJYXUNWNDI-UHFFFAOYSA-N	-1	0	272.329	2.598	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cccc(Cl)c1[O-]	ZINC000180040738	380613193	/nfs/dbraw/zinc/61/31/93/380613193.db2.gz	MYKZZYVHUWCGNZ-UHFFFAOYSA-N	-1	0	263.728	2.675	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)CC(CC)(CC)C(=O)[O-]	ZINC000336814151	380675176	/nfs/dbraw/zinc/67/51/76/380675176.db2.gz	DZQRBJFSZFGORE-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2	ZINC000408493833	380932104	/nfs/dbraw/zinc/93/21/04/380932104.db2.gz	BIASXBNCJLDILC-BPCQOVAHSA-N	-1	0	299.436	2.613	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1	ZINC000291267126	381729069	/nfs/dbraw/zinc/72/90/69/381729069.db2.gz	NKTODLYKEKSFFZ-LBPRGKRZSA-N	-1	0	285.265	2.880	20	30		CFEDRM
C[C@@H](Oc1cccc(/C=C/c2ccncc2C#N)c1)C(=O)[O-]	ZINC000349102471	381822666	/nfs/dbraw/zinc/82/26/66/381822666.db2.gz	APVQYITXHYIPCE-BTDICHCPSA-N	-1	0	294.310	2.976	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C\c2ccncc2C#N)cc1)C(=O)[O-]	ZINC000349104421	381824368	/nfs/dbraw/zinc/82/43/68/381824368.db2.gz	DQQXEFAEVSQDLA-PZBKNZOISA-N	-1	0	294.310	2.976	20	30		CFEDRM
N#CCC1(CNC(=O)CC2(C(=O)[O-])CCCCCC2)CC1	ZINC000362335187	382012997	/nfs/dbraw/zinc/01/29/97/382012997.db2.gz	QSFLZIRWYADWBT-UHFFFAOYSA-N	-1	0	292.379	2.612	20	30		CFEDRM
CCC(C)(C)N(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000352427922	382328440	/nfs/dbraw/zinc/32/84/40/382328440.db2.gz	BPESVISWHJSTBG-UHFFFAOYSA-N	-1	0	293.392	2.641	20	30		CFEDRM
Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188208227	382367214	/nfs/dbraw/zinc/36/72/14/382367214.db2.gz	DNHNUDLTHOGBCN-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
CC(C)CCn1ccc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000188681160	382456861	/nfs/dbraw/zinc/45/68/61/382456861.db2.gz	ARTXNSPVXNIGHJ-UHFFFAOYSA-N	-1	0	298.346	2.759	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1F	ZINC000307995969	382472691	/nfs/dbraw/zinc/47/26/91/382472691.db2.gz	BVJDWBLWUYLWPS-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
CCCc1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000189086143	382539521	/nfs/dbraw/zinc/53/95/21/382539521.db2.gz	ATQUFUZEXSQJQH-UHFFFAOYSA-N	-1	0	287.344	2.925	20	30		CFEDRM
C[C@@H](CCC1CC1)NC(=O)c1cc(F)cc2n[nH]nc21	ZINC000328663952	382560988	/nfs/dbraw/zinc/56/09/88/382560988.db2.gz	YFWKXDLWOPKTGB-QMMMGPOBSA-N	-1	0	276.315	2.980	20	30		CFEDRM
N#Cc1ccc(C(=O)NCCSc2ccccc2)cc1O	ZINC000189896106	382644107	/nfs/dbraw/zinc/64/41/07/382644107.db2.gz	UETQLPUHUASLBI-UHFFFAOYSA-N	-1	0	298.367	2.786	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c1ccccc1	ZINC000190720662	382678977	/nfs/dbraw/zinc/67/89/77/382678977.db2.gz	ZZMHDLJQRLDHCM-ZENOOKHLSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000398229462	382635362	/nfs/dbraw/zinc/63/53/62/382635362.db2.gz	RNENGCFDVCWEHA-VXGBXAGGSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CCC(=O)[O-])CC(C)C	ZINC000192854613	382712947	/nfs/dbraw/zinc/71/29/47/382712947.db2.gz	JNSSIQJETBKBBT-GFCCVEGCSA-N	-1	0	255.358	2.548	20	30		CFEDRM
COc1cccc(C)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000192950096	382713845	/nfs/dbraw/zinc/71/38/45/382713845.db2.gz	VSQGWXSPHASOFR-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C#N)C(C)(C)C)c1	ZINC000337135295	382766137	/nfs/dbraw/zinc/76/61/37/382766137.db2.gz	MELBBQCLDAXDBE-AWEZNQCLSA-N	-1	0	294.420	2.661	20	30		CFEDRM
C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc2O1	ZINC000442648259	382941402	/nfs/dbraw/zinc/94/14/02/382941402.db2.gz	KLRUGBHNNVXKNI-NSHDSACASA-N	-1	0	294.310	2.692	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cccc2c(OC)ccnc12	ZINC000536612730	382955845	/nfs/dbraw/zinc/95/58/45/382955845.db2.gz	JSDKARKQKPTUIA-UHFFFAOYSA-N	-1	0	292.360	2.561	20	30		CFEDRM
N#CC(=C([O-])c1sccc1C1CC1)c1ccncn1	ZINC000545447183	382977731	/nfs/dbraw/zinc/97/77/31/382977731.db2.gz	HJTSTBLXYQLYQG-LLVKDONJSA-N	-1	0	269.329	2.906	20	30		CFEDRM
CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1(C#N)CCC1	ZINC000565176600	383176645	/nfs/dbraw/zinc/17/66/45/383176645.db2.gz	GWXKGELSQJPNCL-UHFFFAOYSA-N	-1	0	298.264	2.929	20	30		CFEDRM
C=C[C@H]1CCCCN1c1nc(C(=O)[O-])c(C)s1	ZINC000566290102	383186256	/nfs/dbraw/zinc/18/62/56/383186256.db2.gz	AUHNJHDJVOJBMJ-VIFPVBQESA-N	-1	0	252.339	2.695	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C/C=C\C)C(=O)[O-])c1ccccc1	ZINC000555919104	383149992	/nfs/dbraw/zinc/14/99/92/383149992.db2.gz	XWPPDHZIZDNRDQ-JLHXHDPKSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000424636106	383217603	/nfs/dbraw/zinc/21/76/03/383217603.db2.gz	HPIRVWRZMXTJSL-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634899845	383397743	/nfs/dbraw/zinc/39/77/43/383397743.db2.gz	WUGYQAAHZFZRPB-YGRLFVJLSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H](C(=O)[O-])C(C)C	ZINC000568396653	383398469	/nfs/dbraw/zinc/39/84/69/383398469.db2.gz	RPCUECCCPYSIFH-GFCCVEGCSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=C1CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000634912186	383401026	/nfs/dbraw/zinc/40/10/26/383401026.db2.gz	VDGYPOKESPJLMN-HNNXBMFYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634944677	383415969	/nfs/dbraw/zinc/41/59/69/383415969.db2.gz	BZPBMSWTYVVCKF-CABCVRRESA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000634939951	383412861	/nfs/dbraw/zinc/41/28/61/383412861.db2.gz	SLOWSNZCYANHJS-HUUCEWRRSA-N	-1	0	285.343	2.873	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000634938895	383412879	/nfs/dbraw/zinc/41/28/79/383412879.db2.gz	VONKQYVFSDTNQD-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000425279476	383358107	/nfs/dbraw/zinc/35/81/07/383358107.db2.gz	LMADISZOLXLVPU-UHFFFAOYSA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=C(C)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634940728	383413365	/nfs/dbraw/zinc/41/33/65/383413365.db2.gz	MBEYOYXOQFZUJS-OAHLLOKOSA-N	-1	0	295.766	2.765	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H]2CCC[C@H]2C(=O)[O-])CCCC1	ZINC000634840297	383375654	/nfs/dbraw/zinc/37/56/54/383375654.db2.gz	HTSJOQSLIVXODQ-QWHCGFSZSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634847222	383379141	/nfs/dbraw/zinc/37/91/41/383379141.db2.gz	BZARHXMGTCHTQT-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634864499	383386310	/nfs/dbraw/zinc/38/63/10/383386310.db2.gz	MXZICNKOJDTDMF-GJZGRUSLSA-N	-1	0	287.359	2.702	20	30		CFEDRM
COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)ccc1C#N	ZINC000340589500	383481107	/nfs/dbraw/zinc/48/11/07/383481107.db2.gz	QKRDGTCBHSUDCI-HWKANZROSA-N	-1	0	280.283	2.830	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC1	ZINC000568987854	383457250	/nfs/dbraw/zinc/45/72/50/383457250.db2.gz	LQGHRYNTJCYELZ-UHFFFAOYSA-N	-1	0	299.783	2.658	20	30		CFEDRM
N#Cc1cc(/C=C\c2cc(C(=O)[O-])ccn2)ccc1F	ZINC000340588702	383480060	/nfs/dbraw/zinc/48/00/60/383480060.db2.gz	KTVUARUUJHPVLF-IWQZZHSRSA-N	-1	0	268.247	2.961	20	30		CFEDRM
CCCn1c(SCc2cccc(F)c2C#N)n[nH]c1=O	ZINC000488230075	383505856	/nfs/dbraw/zinc/50/58/56/383505856.db2.gz	IKSIAVBHDVQPHJ-UHFFFAOYSA-N	-1	0	292.339	2.697	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccs3)nc1-2	ZINC000429583796	383551342	/nfs/dbraw/zinc/55/13/42/383551342.db2.gz	CBKLDDUGLXFGRU-VIFPVBQESA-N	-1	0	282.328	2.818	20	30		CFEDRM
C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000341019335	383532256	/nfs/dbraw/zinc/53/22/56/383532256.db2.gz	AVIYLCWHJZTERB-IHWYPQMZSA-N	-1	0	288.328	2.985	20	30		CFEDRM
CC(=Cc1ccc(C)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000569787640	383537489	/nfs/dbraw/zinc/53/74/89/383537489.db2.gz	AWJUYQZGSGXQCT-UXBLZVDNSA-N	-1	0	283.306	2.958	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000429671259	383557624	/nfs/dbraw/zinc/55/76/24/383557624.db2.gz	JVXARKVZLNIHSX-LLVKDONJSA-N	-1	0	290.282	2.528	20	30		CFEDRM
C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C(=O)[O-]	ZINC000570964975	383652132	/nfs/dbraw/zinc/65/21/32/383652132.db2.gz	BXPJVZQXPHUXIR-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CCc1noc(=NCc2ccc(C#N)cc2C(F)(F)F)[n-]1	ZINC000431043112	383625719	/nfs/dbraw/zinc/62/57/19/383625719.db2.gz	ASEDNIAQGBMFBX-UHFFFAOYSA-N	-1	0	296.252	2.556	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000570697219	383627607	/nfs/dbraw/zinc/62/76/07/383627607.db2.gz	ZMHJDFFBWHKGLK-UHFFFAOYSA-N	-1	0	278.308	2.777	20	30		CFEDRM
CC(C)C[C@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000263419833	383664972	/nfs/dbraw/zinc/66/49/72/383664972.db2.gz	PAQJBNOLJOEWCZ-VIFPVBQESA-N	-1	0	267.716	2.518	20	30		CFEDRM
COc1ccc(C#N)cc1NC1CCC(C(=O)[O-])CC1	ZINC000263426516	383665003	/nfs/dbraw/zinc/66/50/03/383665003.db2.gz	QSLFVIVKTFIINY-UHFFFAOYSA-N	-1	0	274.320	2.622	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cccc(CC#N)c2)c1	ZINC000436862563	383898313	/nfs/dbraw/zinc/89/83/13/383898313.db2.gz	OOXKSFSVIUBVJG-UHFFFAOYSA-N	-1	0	294.310	2.913	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1O)OCC	ZINC000270297342	385045929	/nfs/dbraw/zinc/04/59/29/385045929.db2.gz	BLFOSLUNHRNWPL-ZDUSSCGKSA-N	-1	0	267.300	2.841	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000680998863	542397023	/nfs/dbraw/zinc/39/70/23/542397023.db2.gz	ODYBMACZSKSDTF-JTQLQIEISA-N	-1	0	287.319	2.571	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C(C)=O)ccc1[O-])OCC	ZINC000272673435	385585952	/nfs/dbraw/zinc/58/59/52/385585952.db2.gz	LCVGCIATDPZHIG-OAHLLOKOSA-N	-1	0	291.347	2.905	20	30		CFEDRM
N#Cc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1F	ZINC000355903178	130351236	/nfs/dbraw/zinc/35/12/36/130351236.db2.gz	FIVLHJGGCWECIM-DJWKRKHSSA-N	-1	0	293.257	2.833	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237573876	131042985	/nfs/dbraw/zinc/04/29/85/131042985.db2.gz	NPCKNPRBDKHXND-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000262100667	131191425	/nfs/dbraw/zinc/19/14/25/131191425.db2.gz	MBERUMRLMQIYGV-KGLIPLIRSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000262535634	131230176	/nfs/dbraw/zinc/23/01/76/131230176.db2.gz	JPLRPAQJZATYLC-UHFFFAOYSA-N	-1	0	289.331	2.857	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000263256504	131287929	/nfs/dbraw/zinc/28/79/29/131287929.db2.gz	INHXAXDIKCUGHP-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000263303165	131289326	/nfs/dbraw/zinc/28/93/26/131289326.db2.gz	VBOCAQZPEYOMBG-TZMCWYRMSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)CCCCC(=O)[O-]	ZINC000263319288	131289671	/nfs/dbraw/zinc/28/96/71/131289671.db2.gz	QYNXGHNVQMETQR-UHFFFAOYSA-N	-1	0	275.348	2.846	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nccs1	ZINC000683688936	542709428	/nfs/dbraw/zinc/70/94/28/542709428.db2.gz	IQCPTTOPJHLOJP-SECBINFHSA-N	-1	0	282.328	2.520	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2o1	ZINC000171402840	335064870	/nfs/dbraw/zinc/06/48/70/335064870.db2.gz	HDMZBIFBSLIPQV-QMMMGPOBSA-N	-1	0	269.285	2.774	20	30		CFEDRM
N#CC1(CCSc2n[n-]c(=N)n2C2CC2)CCCCC1	ZINC000412988042	393777814	/nfs/dbraw/zinc/77/78/14/393777814.db2.gz	KEQLOPKGBNIVIN-UHFFFAOYSA-N	-1	0	291.424	2.982	20	30		CFEDRM
CCC(CC)(CNc1snc(C)c1C#N)C(=O)[O-]	ZINC000424380957	393841574	/nfs/dbraw/zinc/84/15/74/393841574.db2.gz	XYSTWZVHKKPJMC-UHFFFAOYSA-N	-1	0	267.354	2.626	20	30		CFEDRM
CC1(C)CCCc2cc(C#N)c(NCCCC(=O)[O-])nc21	ZINC000416426270	393918250	/nfs/dbraw/zinc/91/82/50/393918250.db2.gz	IHRVGWUMTJJKRO-UHFFFAOYSA-N	-1	0	287.363	2.844	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NCCCCCC(=O)[O-])c1	ZINC000416427373	393918592	/nfs/dbraw/zinc/91/85/92/393918592.db2.gz	PMWULRGGIFZNGY-UHFFFAOYSA-N	-1	0	274.320	2.818	20	30		CFEDRM
Cc1ccnc(N[C@H](CCC(C)(C)C)C(=O)[O-])c1C#N	ZINC000416439615	393920296	/nfs/dbraw/zinc/92/02/96/393920296.db2.gz	MPZDXDJZBVPLOD-GFCCVEGCSA-N	-1	0	275.352	2.953	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000416443515	393920335	/nfs/dbraw/zinc/92/03/35/393920335.db2.gz	VVQNRVRYKUVFKS-JTQLQIEISA-N	-1	0	295.770	2.720	20	30		CFEDRM
C=CCCN(C)C(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000348863336	393959916	/nfs/dbraw/zinc/95/99/16/393959916.db2.gz	ODKXGTNCHFJEAI-UHFFFAOYSA-N	-1	0	299.374	2.788	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccc(C)nc2C)s1	ZINC000358891100	394114188	/nfs/dbraw/zinc/11/41/88/394114188.db2.gz	XREYCFCAOOIRLP-UHFFFAOYSA-N	-1	0	292.433	2.862	20	30		CFEDRM
CC(C)(C#N)CN=c1[n-]nc(-c2ccccc2)s1	ZINC000359066834	394122620	/nfs/dbraw/zinc/12/26/20/394122620.db2.gz	JOTFYPVWIVADIN-UHFFFAOYSA-N	-1	0	258.350	2.589	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000493127001	394157025	/nfs/dbraw/zinc/15/70/25/394157025.db2.gz	ZYMPCBYKCZUHNN-BSYHEUMXSA-N	-1	0	265.353	2.659	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1ccc2ccccc2n1	ZINC000685783441	542944238	/nfs/dbraw/zinc/94/42/38/542944238.db2.gz	WBSLHBISMDMUNP-AWEZNQCLSA-N	-1	0	298.305	2.992	20	30		CFEDRM
N#CC(=C([O-])c1cccnc1)c1nc(C2CC2)cs1	ZINC000647370895	395318124	/nfs/dbraw/zinc/31/81/24/395318124.db2.gz	FJYXMLHOZPSEHL-LLVKDONJSA-N	-1	0	269.329	2.906	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000647380477	395320267	/nfs/dbraw/zinc/32/02/67/395320267.db2.gz	YWXIAOYACAXEPD-SNVBAGLBSA-N	-1	0	286.360	2.727	20	30		CFEDRM
Cc1cnn(C)c1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380278	395320301	/nfs/dbraw/zinc/32/03/01/395320301.db2.gz	ZIWCHXCHQPCJKE-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
N#CC(=C([O-])c1cnn2c1CCC2)c1nc(C2CC2)cs1	ZINC000647380030	395320875	/nfs/dbraw/zinc/32/08/75/395320875.db2.gz	DQNRMIYRXVDJSF-SNVBAGLBSA-N	-1	0	298.371	2.653	20	30		CFEDRM
C=CCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC1	ZINC000649364089	395478351	/nfs/dbraw/zinc/47/83/51/395478351.db2.gz	KXPFYMKOPHUWCB-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc(C)cs2)n[nH]1	ZINC000047358335	397585216	/nfs/dbraw/zinc/58/52/16/397585216.db2.gz	ABLWVWPUMBMNGG-JTQLQIEISA-N	-1	0	274.349	2.617	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC	ZINC000653531538	413352337	/nfs/dbraw/zinc/35/23/37/413352337.db2.gz	ORZHWFIUQILCGZ-VXGBXAGGSA-N	-1	0	270.373	2.531	20	30		CFEDRM
N#Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000035347636	172140461	/nfs/dbraw/zinc/14/04/61/172140461.db2.gz	OYCQYBDXZNODPK-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000035721736	172377714	/nfs/dbraw/zinc/37/77/14/172377714.db2.gz	SIRFKKALAAFRNA-UHFFFAOYSA-N	-1	0	255.358	2.692	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000652070125	413810550	/nfs/dbraw/zinc/81/05/50/413810550.db2.gz	JAIAVLZLTFKONJ-GXFFZTMASA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCC1(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC1	ZINC000652088871	413816077	/nfs/dbraw/zinc/81/60/77/413816077.db2.gz	HKEWISPNNXJMAX-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000654810415	414003120	/nfs/dbraw/zinc/00/31/20/414003120.db2.gz	OLDVFZMAPQZCRP-GWCFXTLKSA-N	-1	0	294.326	2.605	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NC2CCC(C(=O)[O-])CC2)n1	ZINC000037561775	173272223	/nfs/dbraw/zinc/27/22/23/173272223.db2.gz	PAFKCKDXYLUHOC-UHFFFAOYSA-N	-1	0	273.336	2.625	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665317044	414279189	/nfs/dbraw/zinc/27/91/89/414279189.db2.gz	TZIVEMVKXHUMRT-GFCCVEGCSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC000659154446	414457515	/nfs/dbraw/zinc/45/75/15/414457515.db2.gz	QGHQUQNKNMFZHO-IUODEOHRSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCCC(=O)[O-]	ZINC000659166734	414459814	/nfs/dbraw/zinc/45/98/14/414459814.db2.gz	RJBPAFPBXCPLPF-CHWSQXEVSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC000659168549	414460394	/nfs/dbraw/zinc/46/03/94/414460394.db2.gz	XJGDRASXMNXROQ-DGCLKSJQSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(=O)[O-])oc1C	ZINC000659229628	414474594	/nfs/dbraw/zinc/47/45/94/414474594.db2.gz	UGXYHXHIXWVTPB-PHIMTYICSA-N	-1	0	275.304	2.609	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000659236067	414476290	/nfs/dbraw/zinc/47/62/90/414476290.db2.gz	FCPJUDYQISIASF-IUODEOHRSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000659244136	414477605	/nfs/dbraw/zinc/47/76/05/414477605.db2.gz	KKIHXILSJHFJRM-UHFFFAOYSA-N	-1	0	279.311	2.999	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000655872939	414487406	/nfs/dbraw/zinc/48/74/06/414487406.db2.gz	SZSAYCUDDNSSEK-GXTWGEPZSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=CCCC1(CNC(=O)NC[C@H](C)C(=O)[O-])CCCC1	ZINC000659413588	414518224	/nfs/dbraw/zinc/51/82/24/414518224.db2.gz	WQDVWUYNKTUUAA-LBPRGKRZSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=CCCNC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000656588379	414610528	/nfs/dbraw/zinc/61/05/28/414610528.db2.gz	KMHAUMQOULZJGC-ZIAGYGMSSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000040521695	174310890	/nfs/dbraw/zinc/31/08/90/174310890.db2.gz	WPQGTPPPJKTROM-UHFFFAOYSA-N	-1	0	274.320	2.899	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000040547153	174325424	/nfs/dbraw/zinc/32/54/24/174325424.db2.gz	HCRYWRBVUYCARM-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(O)c(Cl)c1	ZINC000334650624	225255212	/nfs/dbraw/zinc/25/52/12/225255212.db2.gz	GBCVVOYTZRTSMF-JMCQJSRRSA-N	-1	0	250.685	2.534	20	30		CFEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1C[C@@H]1C1CC1	ZINC000329116014	227307655	/nfs/dbraw/zinc/30/76/55/227307655.db2.gz	TUXFWHIKMJENQB-VXGBXAGGSA-N	-1	0	284.319	2.811	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2s1	ZINC000353089753	228039862	/nfs/dbraw/zinc/03/98/62/228039862.db2.gz	ZNBLRWXRXYZEJY-LLVKDONJSA-N	-1	0	292.323	2.986	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC1	ZINC000331953915	228141213	/nfs/dbraw/zinc/14/12/13/228141213.db2.gz	KKADVSHEYJVCFY-MRVPVSSYSA-N	-1	0	296.729	2.949	20	30		CFEDRM
N#CCN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1	ZINC000080212513	260178071	/nfs/dbraw/zinc/17/80/71/260178071.db2.gz	LGOXULSQFFBCFZ-UHFFFAOYSA-N	-1	0	298.264	2.718	20	30		CFEDRM
Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc2c1C	ZINC000049417839	260661204	/nfs/dbraw/zinc/66/12/04/260661204.db2.gz	WXNPWNUDQVUJOC-UHFFFAOYSA-N	-1	0	294.376	2.828	20	30		CFEDRM
COC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000272637215	263007959	/nfs/dbraw/zinc/00/79/59/263007959.db2.gz	MXGHWWXWBDHKCI-WEAXSSFESA-N	-1	0	292.162	2.779	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1n[nH]cc1SC	ZINC000282443811	263076714	/nfs/dbraw/zinc/07/67/14/263076714.db2.gz	OFOOZRYHLFONGD-UHFFFAOYSA-N	-1	0	291.442	2.844	20	30		CFEDRM
CC(C)SCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000286513031	263098669	/nfs/dbraw/zinc/09/86/69/263098669.db2.gz	NRVCJIWOPMIXBU-MDWZMJQESA-N	-1	0	268.338	2.861	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C)n1	ZINC000041521214	263286638	/nfs/dbraw/zinc/28/66/38/263286638.db2.gz	XUJKIOCMYTWKKH-VIFPVBQESA-N	-1	0	261.306	2.546	20	30		CFEDRM
CCc1onc(C)c1NC(=O)c1ncc(C)cc1[O-]	ZINC000331218429	264164927	/nfs/dbraw/zinc/16/49/27/264164927.db2.gz	XDPUWHYUHCSDBC-UHFFFAOYSA-N	-1	0	261.281	2.591	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C)CCC(=O)[O-])c1ccccc1	ZINC000191148941	264479406	/nfs/dbraw/zinc/47/94/06/264479406.db2.gz	WPTOFHYARPQNBR-CHWSQXEVSA-N	-1	0	275.348	2.716	20	30		CFEDRM
Cc1ncncc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361541328	266843088	/nfs/dbraw/zinc/84/30/88/266843088.db2.gz	OFUZQIDXJZCYIX-AWEZNQCLSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1ccc(CCC)cc1C(=O)[O-]	ZINC000362285134	266954958	/nfs/dbraw/zinc/95/49/58/266954958.db2.gz	NHAGKKUEXXTXEX-UHFFFAOYSA-N	-1	0	297.376	2.655	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000362621731	267024764	/nfs/dbraw/zinc/02/47/64/267024764.db2.gz	HSAGRIWHFVMFAG-UHFFFAOYSA-N	-1	0	291.347	2.923	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1	ZINC000362632460	267027534	/nfs/dbraw/zinc/02/75/34/267027534.db2.gz	CMNBIYVFJHFULD-GFCCVEGCSA-N	-1	0	291.347	2.921	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(C#N)s2)nc(C)n1	ZINC000429343746	268019210	/nfs/dbraw/zinc/01/92/10/268019210.db2.gz	IPUADQQJGDUJNN-LLVKDONJSA-N	-1	0	282.328	2.517	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nccc2ccccc21	ZINC000361540522	268047853	/nfs/dbraw/zinc/04/78/53/268047853.db2.gz	JCUJZAFLAPWGND-INIZCTEOSA-N	-1	0	298.305	2.992	20	30		CFEDRM
N#Cc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1	ZINC000356224246	268233758	/nfs/dbraw/zinc/23/37/58/268233758.db2.gz	PLXOXHWGXPAJCZ-XQRVVYSFSA-N	-1	0	275.267	2.694	20	30		CFEDRM
CC(C)(CCNc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000424377245	270333307	/nfs/dbraw/zinc/33/33/07/270333307.db2.gz	QUENENQCYNQBIP-UHFFFAOYSA-N	-1	0	267.716	2.519	20	30		CFEDRM
N#Cc1nc(NC(=O)c2cc3sccc3s2)[n-]c1C#N	ZINC000515995751	270376480	/nfs/dbraw/zinc/37/64/80/270376480.db2.gz	AVHLJWZRJQTQJN-UHFFFAOYSA-N	-1	0	299.340	2.682	20	30		CFEDRM
N#Cc1cc(F)ccc1-c1nc2n(c1C(=O)[O-])CCCC2	ZINC000516937667	270392383	/nfs/dbraw/zinc/39/23/83/270392383.db2.gz	BQQSEPDUNIRIKD-UHFFFAOYSA-N	-1	0	285.278	2.595	20	30		CFEDRM
CCC[C@H](CN=c1[n-]c(C#N)c(Cl)s1)OCC	ZINC000528082452	270582906	/nfs/dbraw/zinc/58/29/06/270582906.db2.gz	JXJBEUSSLFKAFE-MRVPVSSYSA-N	-1	0	273.789	2.707	20	30		CFEDRM
CC[C@H]1CCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410541876	288228549	/nfs/dbraw/zinc/22/85/49/288228549.db2.gz	PGZWHVYQSFCMPB-WCQYABFASA-N	-1	0	274.368	2.522	20	30		CFEDRM
N#Cc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000254941938	281081385	/nfs/dbraw/zinc/08/13/85/281081385.db2.gz	GRUAEBCTTIXGSI-PLNGDYQASA-N	-1	0	295.254	2.730	20	30		CFEDRM
CC(=Cc1ccccc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000516780959	281305881	/nfs/dbraw/zinc/30/58/81/281305881.db2.gz	NFZZVYSMEOXQJS-VQHVLOKHSA-N	-1	0	269.279	2.650	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(C(=O)[O-])cc2C)c1	ZINC001243199936	782060570	/nfs/dbraw/zinc/06/05/70/782060570.db2.gz	CUHZXFCJLDPDJQ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000178202481	301487795	/nfs/dbraw/zinc/48/77/95/301487795.db2.gz	KYAZWXVBTFAHLO-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000262158764	303193594	/nfs/dbraw/zinc/19/35/94/303193594.db2.gz	SIUYTUYFXZTWKG-JTQLQIEISA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@H]2CC[C@@H]3CCCC[C@H]3C2)[n-]c1C#N	ZINC000130020014	303216700	/nfs/dbraw/zinc/21/67/00/303216700.db2.gz	UZQIJEHHKJTNRO-SRVKXCTJSA-N	-1	0	297.362	2.698	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccnc(CC#N)c1	ZINC001243205792	782065848	/nfs/dbraw/zinc/06/58/48/782065848.db2.gz	MCMRBMSZCIYJEB-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1	ZINC000262123528	328145270	/nfs/dbraw/zinc/14/52/70/328145270.db2.gz	PSUVVWRSVHFUHS-UHFFFAOYSA-N	-1	0	288.347	2.518	20	30		CFEDRM
CC(C)(C#N)CC(=O)Nc1cccc(Cl)c1[O-]	ZINC000278510430	328225966	/nfs/dbraw/zinc/22/59/66/328225966.db2.gz	ANZRWTWCQXXSBM-UHFFFAOYSA-N	-1	0	252.701	2.924	20	30		CFEDRM
CC(C)n1cc(C=CC(=O)c2sccc2[O-])nn1	ZINC000287341769	328250971	/nfs/dbraw/zinc/25/09/71/328250971.db2.gz	WWMQOSINSJBXDJ-ONEGZZNKSA-N	-1	0	263.322	2.522	20	30		CFEDRM
N#CCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000291832481	328266661	/nfs/dbraw/zinc/26/66/61/328266661.db2.gz	DWKSFTGELUWQPV-UHFFFAOYSA-N	-1	0	283.671	2.586	20	30		CFEDRM
CCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000049155604	328350734	/nfs/dbraw/zinc/35/07/34/328350734.db2.gz	QLZOSSKQMSQHPT-MRVPVSSYSA-N	-1	0	277.374	2.961	20	30		CFEDRM
CCCNc1ccc(C#N)cc1NC(=O)c1cncc([O-])c1	ZINC000175789949	323668265	/nfs/dbraw/zinc/66/82/65/323668265.db2.gz	WPDPVVYOWDDWPY-UHFFFAOYSA-N	-1	0	296.330	2.733	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]c(C(C)C)no2)cc1	ZINC000343232016	328439020	/nfs/dbraw/zinc/43/90/20/328439020.db2.gz	BFONLWMQBGXAET-UHFFFAOYSA-N	-1	0	273.336	2.792	20	30		CFEDRM
CC(=Cc1cccs1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193609955	324074206	/nfs/dbraw/zinc/07/42/06/324074206.db2.gz	XBDFYUDVJMIXNF-VURMDHGXSA-N	-1	0	257.318	2.572	20	30		CFEDRM
C=C[C@H](CC(=O)N(CCC)CC(=O)[O-])c1ccccc1	ZINC000190781721	328497079	/nfs/dbraw/zinc/49/70/79/328497079.db2.gz	AGGJMKIEOLAQIO-CYBMUJFWSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2CC[C@@H](C)C2)s1	ZINC000338507769	327005115	/nfs/dbraw/zinc/00/51/15/327005115.db2.gz	DXJKVPHQBADTSG-BDAKNGLRSA-N	-1	0	255.412	2.839	20	30		CFEDRM
O=C1OCCN1CCC/N=C\c1c(O)ccc2ccccc21	ZINC000255755645	327013017	/nfs/dbraw/zinc/01/30/17/327013017.db2.gz	NTRJHYNHKRSITG-PDGQHHTCSA-N	-1	0	298.342	2.807	20	30		CFEDRM
C=C(C)CCNC(=O)c1cccc(Br)c1[O-]	ZINC000560333915	327300182	/nfs/dbraw/zinc/30/01/82/327300182.db2.gz	XRRCSAPFNLGDIQ-UHFFFAOYSA-N	-1	0	284.153	2.851	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@H]([C@@H](C)CC)C(F)(F)F	ZINC000489830291	332069660	/nfs/dbraw/zinc/06/96/60/332069660.db2.gz	KDKFQKQCHQSFAM-UWVGGRQHSA-N	-1	0	287.347	2.849	20	30		CFEDRM
N#CC1CCC(CN=c2[n-]c(C3CCC3)no2)CC1	ZINC000570668042	327609596	/nfs/dbraw/zinc/60/95/96/327609596.db2.gz	DVUCLYAJSIHOMO-UHFFFAOYSA-N	-1	0	260.341	2.501	20	30		CFEDRM
C=CC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000395501025	328739392	/nfs/dbraw/zinc/73/93/92/328739392.db2.gz	KPPGUEGERSJPSW-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
CCCn1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cn1	ZINC000181490454	329233578	/nfs/dbraw/zinc/23/35/78/329233578.db2.gz	LOWGCVSJMMJMSU-LBPRGKRZSA-N	-1	0	293.330	2.659	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2o1	ZINC000181433354	329236846	/nfs/dbraw/zinc/23/68/46/329236846.db2.gz	BUHIYYUQKMBYOX-NSHDSACASA-N	-1	0	276.255	2.518	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000186012323	329335801	/nfs/dbraw/zinc/33/58/01/329335801.db2.gz	ALJXILYYBWGSJV-VIFPVBQESA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000398229455	329440340	/nfs/dbraw/zinc/44/03/40/329440340.db2.gz	RNENGCFDVCWEHA-NEPJUHHUSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000398224913	329440371	/nfs/dbraw/zinc/44/03/71/329440371.db2.gz	PPPMMCUWMOXUOS-GFCCVEGCSA-N	-1	0	282.384	2.770	20	30		CFEDRM
COCc1nc(C([O-])=C(C#N)c2nc(C)cs2)cs1	ZINC000049155613	329635476	/nfs/dbraw/zinc/63/54/76/329635476.db2.gz	RMMBMDUNBMTESK-MRVPVSSYSA-N	-1	0	293.373	2.545	20	30		CFEDRM
C=CCC[C@@H](CO)N=c1nc(C2CCCCC2)[n-]s1	ZINC000420621956	329779502	/nfs/dbraw/zinc/77/95/02/329779502.db2.gz	CVIJCFXMGUFSPV-LBPRGKRZSA-N	-1	0	281.425	2.747	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000262211151	330004042	/nfs/dbraw/zinc/00/40/42/330004042.db2.gz	RZTVDPMVBWJJBQ-FUJMWEONSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1	ZINC000262591540	330022437	/nfs/dbraw/zinc/02/24/37/330022437.db2.gz	UZGDSHIGOUBRGX-UONOGXRCSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262981347	330037993	/nfs/dbraw/zinc/03/79/93/330037993.db2.gz	UKPDDOUJROJPON-CYBMUJFWSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)Cc1ccccc1)C(=O)[O-]	ZINC000263020826	330039025	/nfs/dbraw/zinc/03/90/25/330039025.db2.gz	YBYSCNQOPKSMRT-CQSZACIVSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000263034866	330039907	/nfs/dbraw/zinc/03/99/07/330039907.db2.gz	CLDQLNNARGGJKR-NEPJUHHUSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCOC[C@@H](NC(=O)CCCC1CCCCC1)C(=O)[O-]	ZINC000263163794	330046717	/nfs/dbraw/zinc/04/67/17/330046717.db2.gz	YDPPQDVXICHBMH-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CCCC2)cc1	ZINC000263186836	330048163	/nfs/dbraw/zinc/04/81/63/330048163.db2.gz	IAPSROGAWFOQDR-LLVKDONJSA-N	-1	0	286.331	2.897	20	30		CFEDRM
C=CCC1(C(=O)NCc2ccc(C(=O)[O-])s2)CCC1	ZINC000263222818	330048756	/nfs/dbraw/zinc/04/87/56/330048756.db2.gz	PLPIDYHHESYLRR-UHFFFAOYSA-N	-1	0	279.361	2.809	20	30		CFEDRM
C=CCC1(CNC(=O)N2CCC(C(=O)[O-])CC2)CCCC1	ZINC000263393464	330053926	/nfs/dbraw/zinc/05/39/26/330053926.db2.gz	QUEGKBAJXZMTDG-UHFFFAOYSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C=CCC1(CNC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCC1	ZINC000263434438	330055514	/nfs/dbraw/zinc/05/55/14/330055514.db2.gz	ZMSOBCRNZKXXLL-OAHLLOKOSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(CC)CCCCC1)C(=O)[O-]	ZINC000263526182	330058847	/nfs/dbraw/zinc/05/88/47/330058847.db2.gz	JXTGLICKBZYICI-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1	ZINC000263565373	330059617	/nfs/dbraw/zinc/05/96/17/330059617.db2.gz	VQUHYEUPCWBHPP-OLZOCXBDSA-N	-1	0	289.331	2.547	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1N=c1nc(-c2ccccc2C)[n-]s1	ZINC000528026644	330305011	/nfs/dbraw/zinc/30/50/11/330305011.db2.gz	GZFVDWNBXGETTQ-OLZOCXBDSA-N	-1	0	287.388	2.691	20	30		CFEDRM
CCc1ncsc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000442044250	330773558	/nfs/dbraw/zinc/77/35/58/330773558.db2.gz	OJSWYYYIIMHJRG-SNVBAGLBSA-N	-1	0	286.360	2.602	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccn1C1CCCC1)C(=O)[O-]	ZINC000448989184	330890435	/nfs/dbraw/zinc/89/04/35/330890435.db2.gz	CWMPMIITSNEBFX-ZDUSSCGKSA-N	-1	0	290.363	2.752	20	30		CFEDRM
C=CCC1(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)CCCC1	ZINC000450134753	330963115	/nfs/dbraw/zinc/96/31/15/330963115.db2.gz	KLDFNXZNCRKYFJ-UHFFFAOYSA-N	-1	0	287.285	2.925	20	30		CFEDRM
C=C(C)CCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000452718094	331073239	/nfs/dbraw/zinc/07/32/39/331073239.db2.gz	OIZDMYSGBLQKIY-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
C=CCC1(NC(=O)N=c2[n-]nc3ccccn32)CCCCC1	ZINC000454750293	331152824	/nfs/dbraw/zinc/15/28/24/331152824.db2.gz	NVVNLBCLPIRFKK-UHFFFAOYSA-N	-1	0	299.378	2.552	20	30		CFEDRM
C=C(C)Cn1c(COCC)n[n-]c1=Nc1ccccc1C	ZINC000460964218	331309563	/nfs/dbraw/zinc/30/95/63/331309563.db2.gz	SCUZRCYIMAZDQV-UHFFFAOYSA-N	-1	0	286.379	2.865	20	30		CFEDRM
C#CCN(CC#N)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000490986051	332136274	/nfs/dbraw/zinc/13/62/74/332136274.db2.gz	QACOSWYFABNXNO-UHFFFAOYSA-N	-1	0	298.729	2.798	20	30		CFEDRM
C#C[C@H](NC(=O)c1cccc(O)c1)c1ccc(F)cc1	ZINC000491709910	332302032	/nfs/dbraw/zinc/30/20/32/332302032.db2.gz	XOQZLURUYMWVCU-HNNXBMFYSA-N	-1	0	269.275	2.636	20	30		CFEDRM
C=C(C)CCSc1n[n-]c(=NCC(F)(F)F)s1	ZINC000505512604	332742523	/nfs/dbraw/zinc/74/25/23/332742523.db2.gz	KJYBEYRIDWLQDY-UHFFFAOYSA-N	-1	0	283.344	2.993	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1ccccc1Cl)C(=O)[O-]	ZINC000315893964	333384428	/nfs/dbraw/zinc/38/44/28/333384428.db2.gz	LSZAGYHCFBQSMF-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000316048536	333385131	/nfs/dbraw/zinc/38/51/31/333385131.db2.gz	LLEDDSSGDZEZMM-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529697832	333505849	/nfs/dbraw/zinc/50/58/49/333505849.db2.gz	KGKHXLGJBMLYEU-SECBINFHSA-N	-1	0	265.382	2.552	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N([C@H](CC)C(=O)[O-])C1CC1	ZINC000555843540	334489950	/nfs/dbraw/zinc/48/99/50/334489950.db2.gz	LIVAAPMRLDXXOA-DGCLKSJQSA-N	-1	0	282.384	2.768	20	30		CFEDRM
C=C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000565035907	334535620	/nfs/dbraw/zinc/53/56/20/334535620.db2.gz	PPXDODPZEUPWOI-JTQLQIEISA-N	-1	0	276.292	2.838	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-]	ZINC000263000122	334583372	/nfs/dbraw/zinc/58/33/72/334583372.db2.gz	WFXUZJGLLGTEGP-GFCCVEGCSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000566287794	334640939	/nfs/dbraw/zinc/64/09/39/334640939.db2.gz	PSANZBNCTHPIER-TZMCWYRMSA-N	-1	0	289.331	2.613	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000566506931	334653344	/nfs/dbraw/zinc/65/33/44/334653344.db2.gz	KPRFMBISSNZOLZ-NEPJUHHUSA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000567970673	334779928	/nfs/dbraw/zinc/77/99/28/334779928.db2.gz	SJKISQXFSOWDTM-DGCLKSJQSA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCC1(CC)CCCC1)C(=O)[O-]	ZINC000316452529	334821308	/nfs/dbraw/zinc/82/13/08/334821308.db2.gz	LUGIOSHKDZGSCG-LBPRGKRZSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCC1(CN=c2[n-]nc(C(F)F)o2)CCCC1	ZINC000573071275	334905560	/nfs/dbraw/zinc/90/55/60/334905560.db2.gz	FTJYRYFNKQMUFP-UHFFFAOYSA-N	-1	0	257.284	2.978	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1ccc(CC)cc1C(=O)[O-]	ZINC000579070053	335705520	/nfs/dbraw/zinc/70/55/20/335705520.db2.gz	TXXZQHUPVGKPHE-UHFFFAOYSA-N	-1	0	297.376	2.655	20	30		CFEDRM
COc1ncc(-c2ccc([O-])c(F)c2F)cc1C#N	ZINC001243343308	782149851	/nfs/dbraw/zinc/14/98/51/782149851.db2.gz	ZSXKRYRPOWBINM-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000178989667	533727131	/nfs/dbraw/zinc/72/71/31/533727131.db2.gz	YGVNWKYSTHFDBZ-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
CC(C)C[C@@H](CNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000094703574	519212780	/nfs/dbraw/zinc/21/27/80/519212780.db2.gz	LCTWLZDNBJLDNV-JTQLQIEISA-N	-1	0	264.300	2.856	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC2(C)C)[n-]1	ZINC000336085991	519931806	/nfs/dbraw/zinc/93/18/06/519931806.db2.gz	RUKOWQGJYKPXEI-GFCCVEGCSA-N	-1	0	274.368	2.522	20	30		CFEDRM
Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1C	ZINC000188251300	534482884	/nfs/dbraw/zinc/48/28/84/534482884.db2.gz	NNIITWVZPBDRLF-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000361132311	521445901	/nfs/dbraw/zinc/44/59/01/521445901.db2.gz	OYJIVIPYXUXVKS-UHFFFAOYSA-N	-1	0	290.344	2.905	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C#N)cc1Br	ZINC000213356149	521563019	/nfs/dbraw/zinc/56/30/19/521563019.db2.gz	WZJZHTJCDRLOEB-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C(F)(F)F)c(C#N)c1	ZINC000163846594	521563349	/nfs/dbraw/zinc/56/33/49/521563349.db2.gz	WXQKLDBIGKHLES-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000262721654	534569519	/nfs/dbraw/zinc/56/95/19/534569519.db2.gz	FECMZDSFAMGEKQ-CJNGLKHVSA-N	-1	0	279.380	2.905	20	30		CFEDRM
CC[C@@H](C)n1nc(N=c2s[n-]c(C)c2C#N)cc1C	ZINC000361045375	522451358	/nfs/dbraw/zinc/45/13/58/522451358.db2.gz	XAVKGUKWSHOJSB-MRVPVSSYSA-N	-1	0	275.381	2.965	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000347782133	534850313	/nfs/dbraw/zinc/85/03/13/534850313.db2.gz	WTDOUWIOSOZZFK-VIFPVBQESA-N	-1	0	288.376	2.962	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1C#N	ZINC000235900736	525423567	/nfs/dbraw/zinc/42/35/67/525423567.db2.gz	GQXCEUWVFRBPHG-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
N#Cc1c(F)cccc1/C=C/c1cc(C(=O)[O-])ccn1	ZINC000357081646	526522145	/nfs/dbraw/zinc/52/21/45/526522145.db2.gz	WCVYBRPNWCEJPB-SNAWJCMRSA-N	-1	0	268.247	2.961	20	30		CFEDRM
C=C(C)CN(CC)C(=O)N=c1[n-]nc(SCC)s1	ZINC000355818650	526530672	/nfs/dbraw/zinc/53/06/72/526530672.db2.gz	IZPRKZGYUCTKAE-UHFFFAOYSA-N	-1	0	286.426	2.502	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000054297494	526553533	/nfs/dbraw/zinc/55/35/33/526553533.db2.gz	ACTRJAJOAQXMPS-JTQLQIEISA-N	-1	0	278.739	2.903	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cccc(OCC(=O)[O-])c2)nc1	ZINC000172000478	526585065	/nfs/dbraw/zinc/58/50/65/526585065.db2.gz	GNGLCWKLSUFBAX-GQCTYLIASA-N	-1	0	280.283	2.587	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1	ZINC000336359072	526665855	/nfs/dbraw/zinc/66/58/55/526665855.db2.gz	LSNKXUWNPLGXDV-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(-c3ccco3)o2)cc1	ZINC000347789303	526875631	/nfs/dbraw/zinc/87/56/31/526875631.db2.gz	ABVPPSQVCUQPGB-UHFFFAOYSA-N	-1	0	297.314	2.928	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@]23CCO[C@H]2CCCC3)c1	ZINC000935107535	649876336	/nfs/dbraw/zinc/87/63/36/649876336.db2.gz	IFNLRTBISFMFNO-GOEBONIOSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736556240	574060118	/nfs/dbraw/zinc/06/01/18/574060118.db2.gz	LPPNNLRVEFOIHR-BMIGLBTASA-N	-1	0	287.315	2.663	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(O)cc(O)c1	ZINC000753696504	574072669	/nfs/dbraw/zinc/07/26/69/574072669.db2.gz	YUBDBHOQGOLLRA-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(F)cc1Cl	ZINC000730544784	574087091	/nfs/dbraw/zinc/08/70/91/574087091.db2.gz	ZOHOQMDYFGFXLK-UHFFFAOYSA-N	-1	0	295.705	2.514	20	30		CFEDRM
C=C(Cl)CNC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738485739	574089536	/nfs/dbraw/zinc/08/95/36/574089536.db2.gz	QBEPBHWYQXRRJS-GFCCVEGCSA-N	-1	0	296.754	2.644	20	30		CFEDRM
CCCCNN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000736998355	574094453	/nfs/dbraw/zinc/09/44/53/574094453.db2.gz	IAGKHJQHHBHXJQ-UHFFFAOYSA-N	-1	0	259.309	2.590	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C1(NC(=O)[O-])CCCC1	ZINC000738493057	574095481	/nfs/dbraw/zinc/09/54/81/574095481.db2.gz	JFTZUHUUZAVMSJ-UHFFFAOYSA-N	-1	0	282.384	2.772	20	30		CFEDRM
CCOc1cccc(/C=N/C[C@H](CC(C)C)C(=O)[O-])c1O	ZINC000737209800	574118758	/nfs/dbraw/zinc/11/87/58/574118758.db2.gz	GFGQBVCGVWEKEJ-YRUBURHZSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CN(C(=O)c1cccc(NC(=O)[O-])c1)c1cccc(C#N)c1	ZINC000737339899	574136568	/nfs/dbraw/zinc/13/65/68/574136568.db2.gz	CQDFYXHQXZDQLX-UHFFFAOYSA-N	-1	0	295.298	2.925	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@@H]2CCO[C@H]21	ZINC000737417003	574139654	/nfs/dbraw/zinc/13/96/54/574139654.db2.gz	VWFFXUGLLVCIMT-WCQYABFASA-N	-1	0	274.320	2.598	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1nccs1	ZINC000732622004	574162974	/nfs/dbraw/zinc/16/29/74/574162974.db2.gz	LKYMRYAVKNYBJX-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
Cc1ccc(O)c(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000755457100	574163273	/nfs/dbraw/zinc/16/32/73/574163273.db2.gz	YJBHHNTXXSDSDZ-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
Cc1csc(C=NNc2cccc(C(=O)[O-])c2)n1	ZINC000755473169	574164027	/nfs/dbraw/zinc/16/40/27/574164027.db2.gz	UTAVIMMMOHKWGU-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
CCc1nc(C=NNc2cccc(C(=O)[O-])c2)cs1	ZINC000755471946	574164319	/nfs/dbraw/zinc/16/43/19/574164319.db2.gz	KJYOVMCCYYCKTI-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(F)c1O	ZINC000755602173	574171069	/nfs/dbraw/zinc/17/10/69/574171069.db2.gz	UBFDUEKZHZEREW-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
C=C(C)COC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738485597	574171180	/nfs/dbraw/zinc/17/11/80/574171180.db2.gz	MIVVULRPMZUARE-NSHDSACASA-N	-1	0	283.711	2.768	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H](CC)NC(=O)[O-]	ZINC000738490262	574171292	/nfs/dbraw/zinc/17/12/92/574171292.db2.gz	PIBIMBJJTMGFQO-ZDUSSCGKSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CC[C@@H](C)C=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755617542	574172024	/nfs/dbraw/zinc/17/20/24/574172024.db2.gz	NMDOJKMGVINTAW-SECBINFHSA-N	-1	0	261.350	2.565	20	30		CFEDRM
C=CCOc1cccc(NC(=O)CC(C)(C)NC(=O)[O-])c1	ZINC000738505645	574172391	/nfs/dbraw/zinc/17/23/91/574172391.db2.gz	OQUMDJFBLBTXLZ-UHFFFAOYSA-N	-1	0	292.335	2.626	20	30		CFEDRM
CC(C)[C@@H](C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738760475	574183397	/nfs/dbraw/zinc/18/33/97/574183397.db2.gz	BSSZGUPXULANBN-LLVKDONJSA-N	-1	0	295.726	2.708	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cc(F)cc(F)c1[O-]	ZINC000755824734	574190448	/nfs/dbraw/zinc/19/04/48/574190448.db2.gz	RWEUCTSDMYOBDP-LBPRGKRZSA-N	-1	0	271.263	2.938	20	30		CFEDRM
COC[C@@H](C)CN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755871958	574192999	/nfs/dbraw/zinc/19/29/99/574192999.db2.gz	MTWSYBKZUVFOBG-QMMMGPOBSA-N	-1	0	270.716	2.718	20	30		CFEDRM
C[C@H](NC(=O)[O-])C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000739015821	574193226	/nfs/dbraw/zinc/19/32/26/574193226.db2.gz	CZPITAALOSNUHO-JTQLQIEISA-N	-1	0	291.326	2.570	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)C1CCOCC1	ZINC000755874366	574193957	/nfs/dbraw/zinc/19/39/57/574193957.db2.gz	NNUSOJKWNFFWOZ-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
C[C@@H](NN=C1CCC(NC(=O)[O-])CC1)c1ccccc1	ZINC000739040579	574194978	/nfs/dbraw/zinc/19/49/78/574194978.db2.gz	UKODWTCAXOOWAK-JTDNENJMSA-N	-1	0	275.352	2.903	20	30		CFEDRM
N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000739074929	574196863	/nfs/dbraw/zinc/19/68/63/574196863.db2.gz	NNTSQYONGIGOSH-AWEZNQCLSA-N	-1	0	298.273	2.519	20	30		CFEDRM
N#CCN(CCOc1cccc(C(=O)[O-])c1)C1CCCC1	ZINC000739086000	574197261	/nfs/dbraw/zinc/19/72/61/574197261.db2.gz	MUKZZWVISNSSPB-UHFFFAOYSA-N	-1	0	288.347	2.532	20	30		CFEDRM
N#Cc1ccc(F)c(COC(=O)c2ccccc2C(=O)[O-])c1	ZINC000739117161	574199194	/nfs/dbraw/zinc/19/91/94/574199194.db2.gz	AREUGLLMGIYEJG-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1cccc(COc2ccc(C(=O)[O-])cc2C=O)c1	ZINC000739134253	574199522	/nfs/dbraw/zinc/19/95/22/574199522.db2.gz	ZLDFGOORWKRLKP-UHFFFAOYSA-N	-1	0	281.267	2.648	20	30		CFEDRM
C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739189404	574200616	/nfs/dbraw/zinc/20/06/16/574200616.db2.gz	DLBCOKXSJDPRJA-BXKDBHETSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1	ZINC000739331219	574208406	/nfs/dbraw/zinc/20/84/06/574208406.db2.gz	PTRCKOAGVCMPSF-CYBMUJFWSA-N	-1	0	284.400	2.805	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000756093171	574208877	/nfs/dbraw/zinc/20/88/77/574208877.db2.gz	IZRJHUAIDRUAGD-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
CC[C@@H](C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000756231890	574217740	/nfs/dbraw/zinc/21/77/40/574217740.db2.gz	PFMKAPCKTLQOHG-ABAIWWIYSA-N	-1	0	284.359	2.801	20	30		CFEDRM
CN(C[C@H]1CCN(c2cc(Cl)ccc2C#N)C1)C(=O)[O-]	ZINC000739664492	574222323	/nfs/dbraw/zinc/22/23/23/574222323.db2.gz	RESJFZRRACRQKC-SNVBAGLBSA-N	-1	0	293.754	2.648	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cc(F)c(F)cc2F)o1	ZINC000740123079	574237659	/nfs/dbraw/zinc/23/76/59/574237659.db2.gz	IANBYTMGVYOEQQ-UHFFFAOYSA-N	-1	0	284.193	2.841	20	30		CFEDRM
N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1	ZINC000740312688	574246408	/nfs/dbraw/zinc/24/64/08/574246408.db2.gz	KJRPGNMOPPEWNQ-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
N#Cc1ccc(N[C@@H](CNC(=O)[O-])C2CCCCC2)nc1	ZINC000740317735	574246465	/nfs/dbraw/zinc/24/64/65/574246465.db2.gz	SBIYNHFECGDTFR-ZDUSSCGKSA-N	-1	0	288.351	2.582	20	30		CFEDRM
N#Cc1ccc(NC2CCC(NC(=O)[O-])CC2)c(F)c1	ZINC000740318405	574246599	/nfs/dbraw/zinc/24/65/99/574246599.db2.gz	ZNKISBAYROANHM-UHFFFAOYSA-N	-1	0	277.299	2.688	20	30		CFEDRM
N#Cc1ccc(NC2CCC(NC(=O)[O-])CC2)cc1	ZINC000740315238	574246728	/nfs/dbraw/zinc/24/67/28/574246728.db2.gz	HHVFRDMQERGYCX-UHFFFAOYSA-N	-1	0	259.309	2.549	20	30		CFEDRM
N#Cc1ccc(SC[C@@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000740320373	574246950	/nfs/dbraw/zinc/24/69/50/574246950.db2.gz	NQWSONTTZKTRKX-SNVBAGLBSA-N	-1	0	280.324	2.789	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](CC/N=C/c2ccccc2O)C1	ZINC000740506012	574252309	/nfs/dbraw/zinc/25/23/09/574252309.db2.gz	CELRQSSFYYYJMU-SEJMYLSOSA-N	-1	0	276.336	2.591	20	30		CFEDRM
O=C([O-])N[C@@H](C/N=C/c1ccccc1O)c1ccccc1	ZINC000740541419	574254748	/nfs/dbraw/zinc/25/47/48/574254748.db2.gz	ZBLCPTIBLWJTDB-FBJMNJBLSA-N	-1	0	284.315	2.820	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccccc1F	ZINC000740619372	574258556	/nfs/dbraw/zinc/25/85/56/574258556.db2.gz	DHJOQTJXWTXILQ-VIFPVBQESA-N	-1	0	265.288	2.661	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1=NOCc1ccccc1	ZINC000740619130	574258773	/nfs/dbraw/zinc/25/87/73/574258773.db2.gz	CEANHOUVPUAEGI-GFCCVEGCSA-N	-1	0	262.309	2.627	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1cccc(OC)c1	ZINC000740762078	574266156	/nfs/dbraw/zinc/26/61/56/574266156.db2.gz	YVGRZTXGHXCBNT-UHFFFAOYSA-N	-1	0	296.334	2.588	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000756845804	574267908	/nfs/dbraw/zinc/26/79/08/574267908.db2.gz	GVGIGGBITOZANV-PMPSAXMXSA-N	-1	0	297.354	2.534	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccoc1	ZINC000756899090	574271468	/nfs/dbraw/zinc/27/14/68/574271468.db2.gz	PKNZFGGUVWWMAG-UHFFFAOYSA-N	-1	0	274.276	2.823	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)Cc1ccncc1	ZINC000756899424	574271602	/nfs/dbraw/zinc/27/16/02/574271602.db2.gz	ZXNBGHRKQJVYIO-UHFFFAOYSA-N	-1	0	299.330	2.819	20	30		CFEDRM
COCCCC(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756906335	574272269	/nfs/dbraw/zinc/27/22/69/574272269.db2.gz	ZOQNWUQLISLUFT-UHFFFAOYSA-N	-1	0	280.324	2.608	20	30		CFEDRM
[O-]c1c(F)cc(C=Nn2cnc3ccccc32)cc1F	ZINC000749860275	574313079	/nfs/dbraw/zinc/31/30/79/574313079.db2.gz	VXXBWIYJPYEETR-UHFFFAOYSA-N	-1	0	273.242	2.902	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2nccs2)s1	ZINC000735228801	574316114	/nfs/dbraw/zinc/31/61/14/574316114.db2.gz	IJZNQPDWMCEBME-DAFODLJHSA-N	-1	0	265.315	2.799	20	30		CFEDRM
C=CCCCN(C)c1cc(-c2nn[nH]n2)c2ccccc2n1	ZINC000735412436	574322679	/nfs/dbraw/zinc/32/26/79/574322679.db2.gz	ALMQNFDTLCAZEO-UHFFFAOYSA-N	-1	0	294.362	2.817	20	30		CFEDRM
C#CCOc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1	ZINC000750537715	574347002	/nfs/dbraw/zinc/34/70/02/574347002.db2.gz	SPZKQKMPGPOBED-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)CCCNC(=O)[O-]	ZINC000736107959	574350228	/nfs/dbraw/zinc/35/02/28/574350228.db2.gz	CWNWLZYDVVMATE-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C#CCOc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1	ZINC000736089655	574350440	/nfs/dbraw/zinc/35/04/40/574350440.db2.gz	OBAPOAHOOCMFOS-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000736094431	574350839	/nfs/dbraw/zinc/35/08/39/574350839.db2.gz	FXUXGSDNUREXCN-VIFPVBQESA-N	-1	0	299.779	2.734	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736094435	574350854	/nfs/dbraw/zinc/35/08/54/574350854.db2.gz	FZDLAWYWRWRHNS-UHFFFAOYSA-N	-1	0	297.742	2.670	20	30		CFEDRM
C#CCOc1ccc(C(=O)Oc2ccccc2C(=O)[O-])cc1	ZINC000736090090	574350867	/nfs/dbraw/zinc/35/08/67/574350867.db2.gz	UTQAYBPMNOAJEN-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C=C1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1	ZINC000736097658	574351275	/nfs/dbraw/zinc/35/12/75/574351275.db2.gz	PZHZLCNJXLKXFC-LBPRGKRZSA-N	-1	0	290.363	2.553	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000755825184	574352120	/nfs/dbraw/zinc/35/21/20/574352120.db2.gz	VJIVQUSJPSCDKN-CYBMUJFWSA-N	-1	0	280.280	2.568	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000736222303	574355461	/nfs/dbraw/zinc/35/54/61/574355461.db2.gz	BLNKJAPXYZENLF-UHFFFAOYSA-N	-1	0	266.684	2.526	20	30		CFEDRM
CC(C)(C)CN(CCC#N)Cc1ccc(C(=O)[O-])o1	ZINC000736261578	574358395	/nfs/dbraw/zinc/35/83/95/574358395.db2.gz	VLTFGKAIGMLASN-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@H]2CCCO[C@H]21	ZINC000743418238	574363325	/nfs/dbraw/zinc/36/33/25/574363325.db2.gz	XQJPXFGXYUMNGX-TZMCWYRMSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000398198760	574363655	/nfs/dbraw/zinc/36/36/55/574363655.db2.gz	DPOJZYZTUYBFSM-QWHCGFSZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000398203892	574363884	/nfs/dbraw/zinc/36/38/84/574363884.db2.gz	GQBYWDBVYNEJKL-BXUZGUMPSA-N	-1	0	270.373	2.674	20	30		CFEDRM
CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000736401167	574367312	/nfs/dbraw/zinc/36/73/12/574367312.db2.gz	CVVWYRMYJBLDQC-HNNXBMFYSA-N	-1	0	289.335	2.835	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1	ZINC000751271524	574373246	/nfs/dbraw/zinc/37/32/46/574373246.db2.gz	VWZWEBZTSOWYLY-UHFFFAOYSA-N	-1	0	293.294	2.747	20	30		CFEDRM
CC(C)(C)NC(=S)NN=Cc1cccc(Cl)c1[O-]	ZINC000753162681	574399719	/nfs/dbraw/zinc/39/97/19/574399719.db2.gz	PROJNGCNUDWNAX-UHFFFAOYSA-N	-1	0	285.800	2.642	20	30		CFEDRM
CCn1nccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000753693747	574408112	/nfs/dbraw/zinc/40/81/12/574408112.db2.gz	YPJMFBXTCKJIIQ-UHFFFAOYSA-N	-1	0	292.726	2.701	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000753716851	574408679	/nfs/dbraw/zinc/40/86/79/574408679.db2.gz	HFVBTFNDNAPGMR-ONEGZZNKSA-N	-1	0	278.258	2.783	20	30		CFEDRM
COc1ccc(O)c(/C=N\Cc2ccc(C(=O)[O-])cc2)c1	ZINC000818603421	597165525	/nfs/dbraw/zinc/16/55/25/597165525.db2.gz	PRCORNKRRZAZQQ-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
N#Cc1ccc(NCCCC(=O)[O-])c(C(F)(F)F)c1	ZINC000263405344	597311952	/nfs/dbraw/zinc/31/19/52/597311952.db2.gz	KHOKUGLFASJAAT-UHFFFAOYSA-N	-1	0	272.226	2.854	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000050196289	597363367	/nfs/dbraw/zinc/36/33/67/597363367.db2.gz	OXUUILWGFLSRCC-UHFFFAOYSA-N	-1	0	277.280	2.522	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cccc(F)c1Cl	ZINC000819875526	597607755	/nfs/dbraw/zinc/60/77/55/597607755.db2.gz	YHEYBSMNBTZGJU-ZDUSSCGKSA-N	-1	0	299.685	2.527	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCCC1CCCC1	ZINC000819865879	597621695	/nfs/dbraw/zinc/62/16/95/597621695.db2.gz	PGIZGTCQFZGCDD-CQSZACIVSA-N	-1	0	267.325	2.505	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCCC2(CCCCC2)C1	ZINC000819810923	597646337	/nfs/dbraw/zinc/64/63/37/597646337.db2.gz	HUPBLFIJZPTKQO-HNNXBMFYSA-N	-1	0	292.379	2.564	20	30		CFEDRM
Cc1[nH]c2ccc(Cl)cc2c1C=NNCCC(=O)[O-]	ZINC000820927751	597740418	/nfs/dbraw/zinc/74/04/18/597740418.db2.gz	FTNIBQACIFDEMH-UHFFFAOYSA-N	-1	0	279.727	2.528	20	30		CFEDRM
C=CCn1c(SCCCC(=O)[O-])nnc1-c1ccco1	ZINC000819720201	597752310	/nfs/dbraw/zinc/75/23/10/597752310.db2.gz	MNQYQBIBDQDRCT-UHFFFAOYSA-N	-1	0	293.348	2.681	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC000821345088	598049252	/nfs/dbraw/zinc/04/92/52/598049252.db2.gz	IOXNJFIKRDMZAR-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
N#C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000821320251	598135465	/nfs/dbraw/zinc/13/54/65/598135465.db2.gz	KFJLYCLROKPMOW-AWEZNQCLSA-N	-1	0	298.273	2.519	20	30		CFEDRM
C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000820136003	598136467	/nfs/dbraw/zinc/13/64/67/598136467.db2.gz	AVIAOIAKZDOVDG-LLVKDONJSA-N	-1	0	294.310	2.747	20	30		CFEDRM
Cc1csc([C@@H](C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC000821147020	598160141	/nfs/dbraw/zinc/16/01/41/598160141.db2.gz	ROGKOVWPFWQPKI-NSHDSACASA-N	-1	0	286.312	2.640	20	30		CFEDRM
O=C([O-])c1cccc(C=C2C(=O)c3ccccc3C2=O)c1	ZINC000774120567	598201304	/nfs/dbraw/zinc/20/13/04/598201304.db2.gz	NMAFSPYPLLZQAY-UHFFFAOYSA-N	-1	0	278.263	2.847	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccnc2)c1	ZINC000126277162	598201333	/nfs/dbraw/zinc/20/13/33/598201333.db2.gz	SCIBBZFBLOMGHN-VOTSOKGWSA-N	-1	0	253.257	2.676	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2ccccc21	ZINC000819857154	598221519	/nfs/dbraw/zinc/22/15/19/598221519.db2.gz	SRMOBSIZWKKBQS-MRXNPFEDSA-N	-1	0	282.299	2.783	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Oc1ccc2ccccc2c1	ZINC000819873323	598221524	/nfs/dbraw/zinc/22/15/24/598221524.db2.gz	AEGVZPCKIIRINW-MRXNPFEDSA-N	-1	0	283.283	2.750	20	30		CFEDRM
Cc1ccc(Cl)c(OC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821083511	598222304	/nfs/dbraw/zinc/22/23/04/598222304.db2.gz	KKIABZIGXVAYDF-ZDUSSCGKSA-N	-1	0	281.695	2.558	20	30		CFEDRM
C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21	ZINC000820237742	598224074	/nfs/dbraw/zinc/22/40/74/598224074.db2.gz	CVKYHAZLAKWQSQ-BZNIZROVSA-N	-1	0	286.331	2.531	20	30		CFEDRM
Cc1cccc([C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821107224	598228294	/nfs/dbraw/zinc/22/82/94/598228294.db2.gz	OLCUGLWBNRXSPG-XHDPSFHLSA-N	-1	0	275.304	2.604	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000238058972	599833325	/nfs/dbraw/zinc/83/33/25/599833325.db2.gz	RXKWPHYDCDTHOJ-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
C=CCCC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000238069608	599919810	/nfs/dbraw/zinc/91/98/10/599919810.db2.gz	ZNPWJZCDHVDJEW-UHFFFAOYSA-N	-1	0	279.361	2.909	20	30		CFEDRM
N#Cc1cc(F)ccc1COc1ccc(CC(=O)[O-])cc1	ZINC000071249566	599959397	/nfs/dbraw/zinc/95/93/97/599959397.db2.gz	NHBXIJZFCSESQV-UHFFFAOYSA-N	-1	0	285.274	2.903	20	30		CFEDRM
N#Cc1ccc(N2Cc3ccc(C(=O)[O-])cc3C2)cc1	ZINC000156625756	600006022	/nfs/dbraw/zinc/00/60/22/600006022.db2.gz	XOVSRHMZCOQZJK-UHFFFAOYSA-N	-1	0	264.284	2.777	20	30		CFEDRM
C=CCCCN(C)c1nc(Cl)c(C(=O)[O-])s1	ZINC000220283599	600259685	/nfs/dbraw/zinc/25/96/85/600259685.db2.gz	OCRQQKSAZKZAHO-UHFFFAOYSA-N	-1	0	260.746	2.897	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000136004951	600276059	/nfs/dbraw/zinc/27/60/59/600276059.db2.gz	HNQDMVYUSPIPJM-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
CCCCCCCC(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000117624271	600664292	/nfs/dbraw/zinc/66/42/92/600664292.db2.gz	SKNWCEKSOBYTAU-GFCCVEGCSA-N	-1	0	287.425	2.766	20	30		CFEDRM
CCCC[C@H](Sc1ccc(C#N)cn1)C(=O)[O-]	ZINC000829295802	600837251	/nfs/dbraw/zinc/83/72/51/600837251.db2.gz	KMACRUNOWWUVMI-JTQLQIEISA-N	-1	0	250.323	2.689	20	30		CFEDRM
N#CCCCCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148087291	600961005	/nfs/dbraw/zinc/96/10/05/600961005.db2.gz	GQTRXFYCKAKHPE-LBPRGKRZSA-N	-1	0	258.321	2.759	20	30		CFEDRM
C=CCCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1	ZINC000825665112	601131663	/nfs/dbraw/zinc/13/16/63/601131663.db2.gz	URPQSLSNRCLTPF-UHFFFAOYSA-N	-1	0	279.311	2.990	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(C)C	ZINC000825600574	601194386	/nfs/dbraw/zinc/19/43/86/601194386.db2.gz	VSIWMCDSZZLELN-ZDUSSCGKSA-N	-1	0	275.304	2.981	20	30		CFEDRM
Cc1ccc(NC(=O)C#Cc2ccccc2)c(C(=O)[O-])c1	ZINC000019807113	601199977	/nfs/dbraw/zinc/19/99/77/601199977.db2.gz	JIEWGBFNGPFKAA-UHFFFAOYSA-N	-1	0	279.295	2.683	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2ccccc2C(=O)[O-])s1	ZINC000833071018	601271537	/nfs/dbraw/zinc/27/15/37/601271537.db2.gz	CKKQVZKMCKGBQU-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
N#CCc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1	ZINC000833069457	601298620	/nfs/dbraw/zinc/29/86/20/601298620.db2.gz	ZDNYDMRTMSHIEC-MRXNPFEDSA-N	-1	0	291.310	2.862	20	30		CFEDRM
Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CO2	ZINC000832874138	601331614	/nfs/dbraw/zinc/33/16/14/601331614.db2.gz	HYBAAVYKOLIMBX-XFFZJAGNSA-N	-1	0	297.310	2.988	20	30		CFEDRM
Cc1ccsc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000832984551	601332761	/nfs/dbraw/zinc/33/27/61/601332761.db2.gz	VUGPECKJDLTQOY-HYXAFXHYSA-N	-1	0	261.302	2.979	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2CC23CCCC3)C(=O)[O-])cc1	ZINC000833071629	601341386	/nfs/dbraw/zinc/34/13/86/601341386.db2.gz	HWVZVXXOUADHMF-KGLIPLIRSA-N	-1	0	299.326	2.807	20	30		CFEDRM
C=C(C)CSCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000825647053	601355991	/nfs/dbraw/zinc/35/59/91/601355991.db2.gz	CPGXODMQFBARDN-UHFFFAOYSA-N	-1	0	279.361	2.941	20	30		CFEDRM
CCCCC[C@H](/N=C\c1cccc(O)c1O)C(=O)[O-]	ZINC000829311734	601365205	/nfs/dbraw/zinc/36/52/05/601365205.db2.gz	KFRXOSBYYAPUNM-GPILYODUSA-N	-1	0	265.309	2.550	20	30		CFEDRM
CCCCC[C@@H](/N=C/c1cc(OC)ccc1O)C(=O)[O-]	ZINC000829312166	601365420	/nfs/dbraw/zinc/36/54/20/601365420.db2.gz	SSQAJJXJQCDYRN-BVTUPMQUSA-N	-1	0	279.336	2.853	20	30		CFEDRM
N#Cc1csc(CNc2ccc(CNC(=O)[O-])cc2)c1	ZINC000833078894	601402886	/nfs/dbraw/zinc/40/28/86/601402886.db2.gz	QUPKGTFTKOKTIS-UHFFFAOYSA-N	-1	0	287.344	2.999	20	30		CFEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F	ZINC000825671542	601430554	/nfs/dbraw/zinc/43/05/54/601430554.db2.gz	SMAZCJXXMWUBLG-ZDUSSCGKSA-N	-1	0	266.268	2.851	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000825671666	601430680	/nfs/dbraw/zinc/43/06/80/601430680.db2.gz	ZNFNQOUWGSQLSO-CQSZACIVSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000825671499	601434864	/nfs/dbraw/zinc/43/48/64/601434864.db2.gz	RLVJBQNXPHHWFO-JTQLQIEISA-N	-1	0	267.350	2.736	20	30		CFEDRM
N#Cc1csc(/C=C(\C(=O)[O-])c2ccncc2)c1	ZINC000833079839	601444746	/nfs/dbraw/zinc/44/47/46/601444746.db2.gz	ZTZMMECKVYCMKZ-SDQBBNPISA-N	-1	0	256.286	2.640	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1	ZINC000825671247	601447883	/nfs/dbraw/zinc/44/78/83/601447883.db2.gz	IOXGVGWXBXSYTN-UHFFFAOYSA-N	-1	0	273.292	2.556	20	30		CFEDRM
C#Cc1cccc(NC(=S)N[C@@](C)(CC)CC(=O)[O-])c1	ZINC000825636401	601472431	/nfs/dbraw/zinc/47/24/31/601472431.db2.gz	JFWFSXLUAZQGNY-HNNXBMFYSA-N	-1	0	290.388	2.598	20	30		CFEDRM
C=CCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000825671138	601483486	/nfs/dbraw/zinc/48/34/86/601483486.db2.gz	DQWBLLJRAIKDNY-HNNXBMFYSA-N	-1	0	273.332	2.553	20	30		CFEDRM
CC[C@@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000818261575	601498830	/nfs/dbraw/zinc/49/88/30/601498830.db2.gz	RXHHKLHLEHYPLJ-BPKVKKHESA-N	-1	0	257.289	2.828	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1OC(=O)c1cc(C#N)cs1	ZINC000832918471	601499448	/nfs/dbraw/zinc/49/94/48/601499448.db2.gz	ILBLITBNVKERRF-UHFFFAOYSA-N	-1	0	287.296	2.846	20	30		CFEDRM
Cc1cc(COC(=O)c2cc(C#N)cs2)oc1C(=O)[O-]	ZINC000832884347	601503653	/nfs/dbraw/zinc/50/36/53/601503653.db2.gz	ANMBNMZVZBJSFQ-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1	ZINC000832968305	601538113	/nfs/dbraw/zinc/53/81/13/601538113.db2.gz	VFTGRWSPAAJLLH-MRXNPFEDSA-N	-1	0	295.342	2.519	20	30		CFEDRM
C[C@@H]1CC/C(=C/C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000828207769	601568004	/nfs/dbraw/zinc/56/80/04/601568004.db2.gz	QSVYAFXKQOLGKF-DDHJVWEKSA-N	-1	0	299.326	2.974	20	30		CFEDRM
CC(=O)Nc1cccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000825912742	601790875	/nfs/dbraw/zinc/79/08/75/601790875.db2.gz	CCAUTMBHTJVXRP-AATRIKPKSA-N	-1	0	298.298	2.567	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CC2	ZINC000832487295	601794180	/nfs/dbraw/zinc/79/41/80/601794180.db2.gz	WKYHNGCRGBEWSL-SDQBBNPISA-N	-1	0	297.310	2.934	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cc(F)ccc2F)c[nH]1	ZINC000833297208	601826004	/nfs/dbraw/zinc/82/60/04/601826004.db2.gz	CHVFJHCYGCYRLH-DAFODLJHSA-N	-1	0	277.226	2.887	20	30		CFEDRM
C#CCCOc1ccc(C(=O)[O-])cc1Br	ZINC000236465417	601990383	/nfs/dbraw/zinc/99/03/83/601990383.db2.gz	CPVIKOQSPDGGAQ-UHFFFAOYSA-N	-1	0	269.094	2.549	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000237984300	602135726	/nfs/dbraw/zinc/13/57/26/602135726.db2.gz	MKSVLGDIKYOWQL-AWEZNQCLSA-N	-1	0	273.332	2.697	20	30		CFEDRM
C#Cc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1	ZINC000738470756	602364080	/nfs/dbraw/zinc/36/40/80/602364080.db2.gz	MVNAQSKYLVBGPH-OAHLLOKOSA-N	-1	0	294.310	2.615	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823490504	602954590	/nfs/dbraw/zinc/95/45/90/602954590.db2.gz	DXSJYNQTCOHQCK-JTQLQIEISA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=CCOc1ccc(OC(=O)CC(C)(C)NC(=O)[O-])cc1	ZINC000823516580	603096358	/nfs/dbraw/zinc/09/63/58/603096358.db2.gz	PCEXFBZWAMMNKT-UHFFFAOYSA-N	-1	0	293.319	2.593	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C2(C#N)CCC2)cc1	ZINC000825418831	603180316	/nfs/dbraw/zinc/18/03/16/603180316.db2.gz	YBFYEBRZXNXSKO-SNVBAGLBSA-N	-1	0	287.319	2.648	20	30		CFEDRM
N#Cc1cccc(Cl)c1N[C@H]1CCCN(C(=O)[O-])C1	ZINC000831146443	603191521	/nfs/dbraw/zinc/19/15/21/603191521.db2.gz	PMUHAYMANBFWFD-JTQLQIEISA-N	-1	0	279.727	2.766	20	30		CFEDRM
C=C(Cl)CN1CCC(N(CC2CC2)C(=O)[O-])CC1	ZINC000823480866	603450497	/nfs/dbraw/zinc/45/04/97/603450497.db2.gz	QMPYYJNAPLIIQR-UHFFFAOYSA-N	-1	0	272.776	2.593	20	30		CFEDRM
CC(C)(CNc1ccc(Cl)cc1C#N)NC(=O)[O-]	ZINC000824011344	603521096	/nfs/dbraw/zinc/52/10/96/603521096.db2.gz	IBAJBUOYKRGBRM-UHFFFAOYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
CCC(CC)(CNc1ccc(Cl)c(C#N)n1)NC(=O)[O-]	ZINC000826566257	603523803	/nfs/dbraw/zinc/52/38/03/603523803.db2.gz	CSKUSCZACBXWCS-UHFFFAOYSA-N	-1	0	296.758	2.845	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1	ZINC000823501232	603530072	/nfs/dbraw/zinc/53/00/72/603530072.db2.gz	SEVCTVXFKGGWMH-CHWSQXEVSA-N	-1	0	288.347	2.642	20	30		CFEDRM
N#Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)cn1	ZINC000831137233	603575275	/nfs/dbraw/zinc/57/52/75/603575275.db2.gz	UAYFWJFAFQJILK-UHFFFAOYSA-N	-1	0	282.303	2.698	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1cccc(OC)c1C)C(=O)[O-]	ZINC000900330169	620662684	/nfs/dbraw/zinc/66/26/84/620662684.db2.gz	JBBUHXNJQDJJGK-LBPRGKRZSA-N	-1	0	292.335	2.545	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1	ZINC000900355047	620664097	/nfs/dbraw/zinc/66/40/97/620664097.db2.gz	GRSXZIGMFILJQU-BXUZGUMPSA-N	-1	0	288.347	2.679	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](CCCC=C)C(=O)[O-])cc1	ZINC000900356006	620664133	/nfs/dbraw/zinc/66/41/33/620664133.db2.gz	YIDSSOIWMIWCSN-CQSZACIVSA-N	-1	0	286.331	2.599	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2cccc(F)c2)CC1	ZINC000831869340	603858737	/nfs/dbraw/zinc/85/87/37/603858737.db2.gz	NLFJVKXPXSKTEL-UHFFFAOYSA-N	-1	0	265.288	2.613	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2ccc(Cl)nc2)CC1	ZINC000831870011	603861370	/nfs/dbraw/zinc/86/13/70/603861370.db2.gz	WHWCDTLWGZAKEM-UHFFFAOYSA-N	-1	0	282.731	2.523	20	30		CFEDRM
C=CCCCC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1	ZINC000823496476	603863468	/nfs/dbraw/zinc/86/34/68/603863468.db2.gz	JZZDPXOZHYWXLJ-CQSZACIVSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=C1CCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])CC1	ZINC000823486492	603946949	/nfs/dbraw/zinc/94/69/49/603946949.db2.gz	XKMUDDNYUKFEEJ-UONOGXRCSA-N	-1	0	294.395	2.772	20	30		CFEDRM
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1NC(=O)[O-]	ZINC000830205613	603959106	/nfs/dbraw/zinc/95/91/06/603959106.db2.gz	PNAJUZZBHGPXNI-VXGBXAGGSA-N	-1	0	287.319	2.507	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823491498	603990589	/nfs/dbraw/zinc/99/05/89/603990589.db2.gz	VYIVPONAZPPWOR-SNVBAGLBSA-N	-1	0	289.335	2.813	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-]	ZINC000823490529	604069454	/nfs/dbraw/zinc/06/94/54/604069454.db2.gz	FORUQCFGRUNDHZ-OCCSQVGLSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C#CCCCCNC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823440937	604097402	/nfs/dbraw/zinc/09/74/02/604097402.db2.gz	NIXVBDDIASWZSM-UONOGXRCSA-N	-1	0	294.395	2.513	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000827111796	604136596	/nfs/dbraw/zinc/13/65/96/604136596.db2.gz	SQCFZSFOSWYFNE-UHFFFAOYSA-N	-1	0	276.296	2.544	20	30		CFEDRM
N#Cc1cccnc1Oc1ccc(NC(=O)[O-])cc1	ZINC000831157542	604203564	/nfs/dbraw/zinc/20/35/64/604203564.db2.gz	ZIXRLPYATSYHJM-UHFFFAOYSA-N	-1	0	255.233	2.835	20	30		CFEDRM
C#CC[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000823440992	604212210	/nfs/dbraw/zinc/21/22/10/604212210.db2.gz	OZEKJIQGECJEOW-AWEZNQCLSA-N	-1	0	287.315	2.664	20	30		CFEDRM
Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1NC(=O)[O-]	ZINC000830175603	604219098	/nfs/dbraw/zinc/21/90/98/604219098.db2.gz	BQMSEUPKHUREQC-LBPRGKRZSA-N	-1	0	295.298	2.970	20	30		CFEDRM
CN(c1cccc(F)c1C#N)C1CCC(NC(=O)[O-])CC1	ZINC000828434901	604219213	/nfs/dbraw/zinc/21/92/13/604219213.db2.gz	QHECWRURJNPVRH-UHFFFAOYSA-N	-1	0	291.326	2.712	20	30		CFEDRM
C=C(C)COC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823480769	604226174	/nfs/dbraw/zinc/22/61/74/604226174.db2.gz	NTFBWMBXFJSXAG-WCQYABFASA-N	-1	0	277.320	2.751	20	30		CFEDRM
CC1(C#N)CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000935772322	649942216	/nfs/dbraw/zinc/94/22/16/649942216.db2.gz	AIJSKXUVQCBINU-UHFFFAOYSA-N	-1	0	285.130	2.685	20	30		CFEDRM
N#Cc1cccc(SC[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831153141	604288585	/nfs/dbraw/zinc/28/85/85/604288585.db2.gz	YXIDCEZOUORIGJ-LLVKDONJSA-N	-1	0	262.334	2.650	20	30		CFEDRM
C=CCN(C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1)C(C)C	ZINC000823500964	604338170	/nfs/dbraw/zinc/33/81/70/604338170.db2.gz	OCYHJEGCOXBHHE-UONOGXRCSA-N	-1	0	296.411	2.826	20	30		CFEDRM
C=C1CCN(C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823485672	604339092	/nfs/dbraw/zinc/33/90/92/604339092.db2.gz	IGNWTKPRFUZENF-KBPBESRZSA-N	-1	0	294.395	2.581	20	30		CFEDRM
Cc1ccc2ccccc2c1CN(CC#N)CC(=O)[O-]	ZINC000832961037	604350554	/nfs/dbraw/zinc/35/05/54/604350554.db2.gz	ZCKRNTBDMSADBW-UHFFFAOYSA-N	-1	0	268.316	2.558	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1	ZINC000935783726	649943764	/nfs/dbraw/zinc/94/37/64/649943764.db2.gz	JSTYOXCDKVSEQD-UHFFFAOYSA-N	-1	0	285.130	2.733	20	30		CFEDRM
CC(=NNCc1ccc(C#N)cc1)c1ccc(C(=O)[O-])cc1	ZINC000769821227	604397724	/nfs/dbraw/zinc/39/77/24/604397724.db2.gz	UWUJAOZEOUXNMS-UHFFFAOYSA-N	-1	0	293.326	2.770	20	30		CFEDRM
C[C@@H](CC(=O)OCCCCC#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824729686	604416957	/nfs/dbraw/zinc/41/69/57/604416957.db2.gz	QXYSNYOHVLWTJW-STQMWFEESA-N	-1	0	296.367	2.640	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)OCC	ZINC000833367674	604539536	/nfs/dbraw/zinc/53/95/36/604539536.db2.gz	QRRLGZRZLVRNNS-ZDUSSCGKSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)OCC	ZINC000833367949	604539849	/nfs/dbraw/zinc/53/98/49/604539849.db2.gz	YMQFRFMYHPSNPO-ZDUSSCGKSA-N	-1	0	295.310	2.834	20	30		CFEDRM
Cc1cc([C@H](C)OC(=O)C2(C#N)CC(C)C2)oc1C(=O)[O-]	ZINC000832878225	604603812	/nfs/dbraw/zinc/60/38/12/604603812.db2.gz	WMHYLLMFNYEYEO-VGWYGZTPSA-N	-1	0	291.303	2.830	20	30		CFEDRM
C[C@@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(C(=O)[O-])o1	ZINC000828156338	604604036	/nfs/dbraw/zinc/60/40/36/604604036.db2.gz	IARYRGMXPAEMOW-ZYTOWTHASA-N	-1	0	277.276	2.522	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1ccc(C)cc1C(=O)[O-])OCC	ZINC000833368897	604608445	/nfs/dbraw/zinc/60/84/45/604608445.db2.gz	WVQOMRGTUSYMIK-AWEZNQCLSA-N	-1	0	292.331	2.970	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1ccc(C)cc1C(=O)[O-])OCC	ZINC000833368898	604608578	/nfs/dbraw/zinc/60/85/78/604608578.db2.gz	WVQOMRGTUSYMIK-CQSZACIVSA-N	-1	0	292.331	2.970	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1	ZINC000204035062	604626043	/nfs/dbraw/zinc/62/60/43/604626043.db2.gz	POTROCUTKHZZQQ-XCVCLJGOSA-N	-1	0	268.268	2.987	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cncs2)cc1	ZINC000833309955	604630761	/nfs/dbraw/zinc/63/07/61/604630761.db2.gz	JURSRQMXQKLBRV-AATRIKPKSA-N	-1	0	259.286	2.737	20	30		CFEDRM
N#Cc1ccc(OCc2cc(C(=O)[O-])co2)c(F)c1	ZINC000232362458	604648399	/nfs/dbraw/zinc/64/83/99/604648399.db2.gz	ZQOJLCVRKLMSIM-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(F)c1	ZINC000232362567	604648572	/nfs/dbraw/zinc/64/85/72/604648572.db2.gz	NOUGTQDCXAKZAQ-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1	ZINC000763367433	604665789	/nfs/dbraw/zinc/66/57/89/604665789.db2.gz	DOWIHDPINUXRRU-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(F)c1	ZINC000763370175	604666846	/nfs/dbraw/zinc/66/68/46/604666846.db2.gz	MNJKIFYEHQWGPU-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C=CCCCC(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833373332	604707671	/nfs/dbraw/zinc/70/76/71/604707671.db2.gz	LIRGFFHSXPMPJY-UHFFFAOYSA-N	-1	0	266.268	2.923	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)COc1cccc(CC)c1	ZINC000042343523	620676738	/nfs/dbraw/zinc/67/67/38/620676738.db2.gz	NIWUBWRACBCIRL-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
N#CCCN(Cc1ccc(C(=O)[O-])cc1F)CC1CC1	ZINC000833760186	604762228	/nfs/dbraw/zinc/76/22/28/604762228.db2.gz	JSDMDYKQDQTTJG-UHFFFAOYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=C(C)CSCC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000825647870	604804406	/nfs/dbraw/zinc/80/44/06/604804406.db2.gz	WGEZKIASWKAZNA-UHFFFAOYSA-N	-1	0	294.376	2.702	20	30		CFEDRM
Cc1cn(Cc2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC000832985602	604811353	/nfs/dbraw/zinc/81/13/53/604811353.db2.gz	UWSCIPIQVPYTJX-UHFFFAOYSA-N	-1	0	258.252	2.554	20	30		CFEDRM
N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000013224076	604864934	/nfs/dbraw/zinc/86/49/34/604864934.db2.gz	QQCINQDNUVBIQE-OAHLLOKOSA-N	-1	0	294.310	2.504	20	30		CFEDRM
CN(CC#Cc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000833691079	604951085	/nfs/dbraw/zinc/95/10/85/604951085.db2.gz	IMHCALYBWUMWIT-QGZVFWFLSA-N	-1	0	297.329	2.935	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)C1CC1	ZINC000162376102	604953912	/nfs/dbraw/zinc/95/39/12/604953912.db2.gz	ZUSDYRQQCUAEHL-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])OCC	ZINC000833366694	604955523	/nfs/dbraw/zinc/95/55/23/604955523.db2.gz	CIWHOATWAJJHMG-WWGRRREGSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1occc1CN(C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833029483	604968588	/nfs/dbraw/zinc/96/85/88/604968588.db2.gz	CDSBGKMFRMGQMI-OAHLLOKOSA-N	-1	0	284.315	2.717	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C#N)s1	ZINC000763371491	605000397	/nfs/dbraw/zinc/00/03/97/605000397.db2.gz	CBWJYTLIFHBZOZ-UHFFFAOYSA-N	-1	0	286.316	2.549	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000235780828	605004660	/nfs/dbraw/zinc/00/46/60/605004660.db2.gz	YGQDKCFWJOAXHU-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
C=C(CC)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833371062	605005040	/nfs/dbraw/zinc/00/50/40/605005040.db2.gz	VGKXKKRKQLDYQB-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000236430845	605010759	/nfs/dbraw/zinc/01/07/59/605010759.db2.gz	PDCVZPXYMWDIRT-HNNXBMFYSA-N	-1	0	287.359	2.902	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C)c(C(=O)[O-])o1	ZINC000833362855	605018724	/nfs/dbraw/zinc/01/87/24/605018724.db2.gz	NGGGWLOPEOCNPO-UHFFFAOYSA-N	-1	0	264.277	2.523	20	30		CFEDRM
C=CCCC[C@H](C)OC(=O)c1cccc(C(=O)[O-])n1	ZINC000833374311	605021807	/nfs/dbraw/zinc/02/18/07/605021807.db2.gz	XIOUOMMYBBDWLX-JTQLQIEISA-N	-1	0	263.293	2.681	20	30		CFEDRM
C#CCCCCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1	ZINC000833362807	605031435	/nfs/dbraw/zinc/03/14/35/605031435.db2.gz	LWUWBIVZOLSTMX-UHFFFAOYSA-N	-1	0	292.360	2.530	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(F)cc1F	ZINC000833406011	605038143	/nfs/dbraw/zinc/03/81/43/605038143.db2.gz	JUOJLXJTKDPDCJ-SECBINFHSA-N	-1	0	293.273	2.858	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1cccc(F)c1F	ZINC000833407014	605040958	/nfs/dbraw/zinc/04/09/58/605040958.db2.gz	QDIMZEZDKWBOLW-SECBINFHSA-N	-1	0	293.273	2.858	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)c1ccccc1C(=O)[O-]	ZINC000833695919	605074797	/nfs/dbraw/zinc/07/47/97/605074797.db2.gz	BFQNFIMDJGILQC-UHFFFAOYSA-N	-1	0	266.300	2.893	20	30		CFEDRM
CC(C)(C#N)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833413368	605077581	/nfs/dbraw/zinc/07/75/81/605077581.db2.gz	NKEXAAXUMOSBGF-UHFFFAOYSA-N	-1	0	297.698	2.908	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833483485	605086100	/nfs/dbraw/zinc/08/61/00/605086100.db2.gz	LYYCOBYHGGYIKI-UHFFFAOYSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cscn1	ZINC000767899218	605099095	/nfs/dbraw/zinc/09/90/95/605099095.db2.gz	FNNPCGAAAOAVOL-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cn1	ZINC000770595516	605099196	/nfs/dbraw/zinc/09/91/96/605099196.db2.gz	DRGDSSILHCARFM-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1csc([N+](=O)[O-])c1	ZINC000833783669	605100148	/nfs/dbraw/zinc/10/01/48/605100148.db2.gz	AGKHUXWDJOTRAI-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccccn1	ZINC000812442253	605100880	/nfs/dbraw/zinc/10/08/80/605100880.db2.gz	WIMMIQYMJNFUEH-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
C=CCN(C(=O)Nc1ccccc1C(=O)[O-])C(C)C	ZINC000165722324	605128597	/nfs/dbraw/zinc/12/85/97/605128597.db2.gz	NTDHNKCBGCJAIA-UHFFFAOYSA-N	-1	0	262.309	2.813	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(C)(C)C#N	ZINC000833534500	605163880	/nfs/dbraw/zinc/16/38/80/605163880.db2.gz	CUCADILAYWCIHC-VIFPVBQESA-N	-1	0	276.292	2.872	20	30		CFEDRM
C#Cc1cccc(N(C)CCOc2ccccc2C(=O)[O-])c1	ZINC000833368746	605207530	/nfs/dbraw/zinc/20/75/30/605207530.db2.gz	SOQOSJLFENGENV-UHFFFAOYSA-N	-1	0	295.338	2.881	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](CSc2ccc(C#N)cc2)O1	ZINC000833581594	605235745	/nfs/dbraw/zinc/23/57/45/605235745.db2.gz	PETVKCWJYPNZOY-NSHDSACASA-N	-1	0	275.329	2.798	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833430361	605240848	/nfs/dbraw/zinc/24/08/48/605240848.db2.gz	WEPCECPCOXPLCG-GFCCVEGCSA-N	-1	0	275.304	2.604	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CNC(=O)[O-])c2)cc1	ZINC000831126465	605248715	/nfs/dbraw/zinc/24/87/15/605248715.db2.gz	GKWLQVWDGFANFU-UHFFFAOYSA-N	-1	0	281.315	2.938	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833515622	605280546	/nfs/dbraw/zinc/28/05/46/605280546.db2.gz	KIAATERMETWZPS-MRVPVSSYSA-N	-1	0	294.286	2.681	20	30		CFEDRM
Cc1cc(C(=O)C(C#N)c2ccccn2)ccc1NC(=O)[O-]	ZINC000829904496	605347277	/nfs/dbraw/zinc/34/72/77/605347277.db2.gz	NPHHOLSBUAOGJL-LBPRGKRZSA-N	-1	0	295.298	2.970	20	30		CFEDRM
C#Cc1cccc(N(CC)C[C@H]2CC(C(=O)[O-])=C(C)O2)c1	ZINC000833367939	605359478	/nfs/dbraw/zinc/35/94/78/605359478.db2.gz	BRHTURXTQBTAAZ-OAHLLOKOSA-N	-1	0	285.343	2.642	20	30		CFEDRM
C[C@@]1(C#N)CCCN(c2nc(Cl)c(C(=O)[O-])s2)C1	ZINC000833551865	605384048	/nfs/dbraw/zinc/38/40/48/605384048.db2.gz	SVOLFOVTGSJZBW-NSHDSACASA-N	-1	0	285.756	2.625	20	30		CFEDRM
C[C@]1(C#N)CCCN(c2nc(Cl)c(C(=O)[O-])s2)C1	ZINC000833551864	605384808	/nfs/dbraw/zinc/38/48/08/605384808.db2.gz	SVOLFOVTGSJZBW-LLVKDONJSA-N	-1	0	285.756	2.625	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000135307248	605399496	/nfs/dbraw/zinc/39/94/96/605399496.db2.gz	SOZAXDSEJPVHRZ-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C#N)C2CC2)ccc1NC(=O)[O-]	ZINC000829971412	605424129	/nfs/dbraw/zinc/42/41/29/605424129.db2.gz	LMBUGFZXAFPOAE-LBPRGKRZSA-N	-1	0	274.276	2.544	20	30		CFEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1cccc(C#N)c1	ZINC000824759345	605462482	/nfs/dbraw/zinc/46/24/82/605462482.db2.gz	KNYFQSJTPJCXDG-AWEZNQCLSA-N	-1	0	286.335	2.879	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NN[C@@H](C)CC#N	ZINC000824760775	605477945	/nfs/dbraw/zinc/47/79/45/605477945.db2.gz	XRQZWAQMCNYFMX-AAEUAGOBSA-N	-1	0	280.372	2.567	20	30		CFEDRM
C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(C#N)c(Cl)c1	ZINC000825843815	605481063	/nfs/dbraw/zinc/48/10/63/605481063.db2.gz	FRPVNXBTBWFDTR-MWLCHTKSSA-N	-1	0	293.754	2.837	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(c2c(Cl)cccc2C#N)C1	ZINC000833817271	605500234	/nfs/dbraw/zinc/50/02/34/605500234.db2.gz	LDPMPWCIGNFBNS-KOLCDFICSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CC#CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833380515	605515809	/nfs/dbraw/zinc/51/58/09/605515809.db2.gz	IIYPMHPUILJZBM-SOFGYWHQSA-N	-1	0	274.276	2.518	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000833361989	605581143	/nfs/dbraw/zinc/58/11/43/605581143.db2.gz	VCCFGODGOBKKBD-UHFFFAOYSA-N	-1	0	273.332	2.836	20	30		CFEDRM
CC1(C#N)CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC000820206392	605629775	/nfs/dbraw/zinc/62/97/75/605629775.db2.gz	ZQJRZWMMHZEDND-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC1(C#N)CCN(C(=O)Nc2ccsc2C(=O)[O-])CC1	ZINC000833551090	605630679	/nfs/dbraw/zinc/63/06/79/605630679.db2.gz	GJZXCHUEDMPZER-UHFFFAOYSA-N	-1	0	293.348	2.604	20	30		CFEDRM
Cc1ccc(C#N)cc1NCc1ccc(NC(=O)[O-])nc1	ZINC000833902585	605720221	/nfs/dbraw/zinc/72/02/21/605720221.db2.gz	YUOGXKDUGKTIHI-UHFFFAOYSA-N	-1	0	282.303	2.964	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1N=Nc1ccccn1	ZINC000834103870	605723849	/nfs/dbraw/zinc/72/38/49/605723849.db2.gz	IJNLIDBZEALHJM-AAEUAGOBSA-N	-1	0	288.351	2.792	20	30		CFEDRM
O=C([O-])N[C@H]1CC(=NO[C@@H]2CCCCO2)c2ccccc21	ZINC000834159139	605746116	/nfs/dbraw/zinc/74/61/16/605746116.db2.gz	XRNLDYJDGXADRF-GXTWGEPZSA-N	-1	0	290.319	2.646	20	30		CFEDRM
O=C([O-])N[C@@H]1CC(=NO[C@H]2CCCCO2)c2ccccc21	ZINC000834159141	605746237	/nfs/dbraw/zinc/74/62/37/605746237.db2.gz	XRNLDYJDGXADRF-OCCSQVGLSA-N	-1	0	290.319	2.646	20	30		CFEDRM
C=CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1	ZINC000833787929	605786356	/nfs/dbraw/zinc/78/63/56/605786356.db2.gz	IFRQCGUCJDOAIY-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
C[C@H](CC#N)N(C)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833515394	605837664	/nfs/dbraw/zinc/83/76/64/605837664.db2.gz	GRUGJZCOZCFQSQ-SECBINFHSA-N	-1	0	266.728	2.772	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cc(F)c(F)cc1F	ZINC000834167987	605860742	/nfs/dbraw/zinc/86/07/42/605860742.db2.gz	FTWQYMYWOFDTCG-VIFPVBQESA-N	-1	0	287.241	2.692	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ccc(F)cc2F)CC1	ZINC000834097263	605991392	/nfs/dbraw/zinc/99/13/92/605991392.db2.gz	WFOZRRDYWWAXII-UHFFFAOYSA-N	-1	0	283.278	2.897	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1ccc(F)cn1	ZINC000834184238	606080638	/nfs/dbraw/zinc/08/06/38/606080638.db2.gz	NMNTYZBLOPVCFA-SNVBAGLBSA-N	-1	0	280.303	2.589	20	30		CFEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)CC2CCCC2)o1	ZINC000824393318	607782859	/nfs/dbraw/zinc/78/28/59/607782859.db2.gz	SCJKZHJHUXFOGI-UHFFFAOYSA-N	-1	0	289.343	2.531	20	30		CFEDRM
CCC[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1	ZINC000825232387	607886728	/nfs/dbraw/zinc/88/67/28/607886728.db2.gz	GPOOJEXNIRASRR-VIFPVBQESA-N	-1	0	291.359	2.812	20	30		CFEDRM
C=CC(C)(C)C(=O)NCc1cccc(Cl)c1O	ZINC000890761206	617838022	/nfs/dbraw/zinc/83/80/22/617838022.db2.gz	NIMKYOQSVAMYQM-UHFFFAOYSA-N	-1	0	253.729	2.874	20	30		CFEDRM
CCOC(=O)C/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000255111574	617964162	/nfs/dbraw/zinc/96/41/62/617964162.db2.gz	PGPLPURVRVSIGT-RZNTYIFUSA-N	-1	0	276.119	2.681	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048453148	618072041	/nfs/dbraw/zinc/07/20/41/618072041.db2.gz	RTIROPGDEOMXQZ-UHFFFAOYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CCCc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417559	617604073	/nfs/dbraw/zinc/60/40/73/617604073.db2.gz	DEONOAVVPBDRRB-UHFFFAOYSA-N	-1	0	269.366	2.682	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	ZINC000049417697	617604234	/nfs/dbraw/zinc/60/42/34/617604234.db2.gz	JIDVOGDFSXDGQT-NWDGAFQWSA-N	-1	0	285.340	2.624	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCC1	ZINC000049417645	617604267	/nfs/dbraw/zinc/60/42/67/617604267.db2.gz	NQSCHIODTFFATK-UHFFFAOYSA-N	-1	0	299.367	2.942	20	30		CFEDRM
O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049502293	617606532	/nfs/dbraw/zinc/60/65/32/617606532.db2.gz	BNGMQTHOMNAPAZ-UHFFFAOYSA-N	-1	0	299.367	2.987	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)c1	ZINC000049515866	617608025	/nfs/dbraw/zinc/60/80/25/617608025.db2.gz	IDIBQFOLXMFHLE-JTQLQIEISA-N	-1	0	297.376	2.777	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCCC2(F)F)c1	ZINC000806551122	617659634	/nfs/dbraw/zinc/65/96/34/617659634.db2.gz	IRGANPUKAHBQKS-BXRZMRDGSA-N	-1	0	270.235	2.907	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NOC/C=C\Cl)c1)C(=O)[O-]	ZINC000811670637	617711124	/nfs/dbraw/zinc/71/11/24/617711124.db2.gz	XIEIAZDPCJQVGV-YZKBVNIZSA-N	-1	0	283.711	2.642	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NOC/C=C\Cl)cc1	ZINC000811671570	617715705	/nfs/dbraw/zinc/71/57/05/617715705.db2.gz	HMCLGEDIWBWBKK-LWBCSRKGSA-N	-1	0	283.711	2.643	20	30		CFEDRM
N#Cc1ccc(OCC(=O)[O-])cc1-c1cnc(C2CC2)o1	ZINC000901048502	620747212	/nfs/dbraw/zinc/74/72/12/620747212.db2.gz	ACTNMAPXGXOMEX-UHFFFAOYSA-N	-1	0	284.271	2.554	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccccc2)c1	ZINC000022726671	617797945	/nfs/dbraw/zinc/79/79/45/617797945.db2.gz	JELXQUQQOWROSL-LFIBNONCSA-N	-1	0	270.288	2.962	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2CCCOC2)c1[O-]	ZINC000255076934	617948189	/nfs/dbraw/zinc/94/81/89/617948189.db2.gz	LYQNMDXNLXDYHQ-PJJXNUOTSA-N	-1	0	284.699	2.552	20	30		CFEDRM
N#Cc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1	ZINC000255076476	617948489	/nfs/dbraw/zinc/94/84/89/617948489.db2.gz	ZZCLZDFKKSAQCJ-XQRVVYSFSA-N	-1	0	265.268	2.866	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cnn(C2CCC2)c1	ZINC000901205839	620764616	/nfs/dbraw/zinc/76/46/16/620764616.db2.gz	QMDKKRDJEDJETP-UHFFFAOYSA-N	-1	0	299.334	2.537	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519763	617978350	/nfs/dbraw/zinc/97/83/50/617978350.db2.gz	SHCPPRIXYITVFI-HZMBPMFUSA-N	-1	0	293.388	2.867	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000901218230	620766930	/nfs/dbraw/zinc/76/69/30/620766930.db2.gz	PPWYVLDCEZTMDV-UHFFFAOYSA-N	-1	0	276.292	2.985	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccc(Br)cc1O	ZINC000077017920	617989779	/nfs/dbraw/zinc/98/97/79/617989779.db2.gz	XJNUWYUAKLZQRC-UHFFFAOYSA-N	-1	0	290.544	2.637	20	30		CFEDRM
Cc1ccc(C=NN[C@H]2CCCSC2)cc1C(=O)[O-]	ZINC000901278180	620775770	/nfs/dbraw/zinc/77/57/70/620775770.db2.gz	NBXSDEAUDVOGMJ-LBPRGKRZSA-N	-1	0	278.377	2.512	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)c1ccc(F)cc1	ZINC000846547289	618112268	/nfs/dbraw/zinc/11/22/68/618112268.db2.gz	DERLWEVOIDWTOC-GWCFXTLKSA-N	-1	0	251.301	2.942	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846550942	618113850	/nfs/dbraw/zinc/11/38/50/618113850.db2.gz	ZWELJBVEEFGOAG-RDDDGLTNSA-N	-1	0	290.146	2.649	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc3ccccc3o2)C(=O)O1	ZINC000255291348	618165062	/nfs/dbraw/zinc/16/50/62/618165062.db2.gz	VTQVIEZHDGWZBZ-MWWKQMNYSA-N	-1	0	296.278	2.661	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccccc2[O-])o1	ZINC000255332010	618202929	/nfs/dbraw/zinc/20/29/29/618202929.db2.gz	DIZYLQWWEFVSSA-VURMDHGXSA-N	-1	0	272.256	2.668	20	30		CFEDRM
CC(C)(C)SCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176816556	618205419	/nfs/dbraw/zinc/20/54/19/618205419.db2.gz	FXFRTXHJJHKXHL-UHFFFAOYSA-N	-1	0	264.350	2.734	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(F)c2F)c1	ZINC000176820387	618205679	/nfs/dbraw/zinc/20/56/79/618205679.db2.gz	VYOUWRFJLQPRRN-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000176829059	618207518	/nfs/dbraw/zinc/20/75/18/618207518.db2.gz	YVUSAWXWKITWMS-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1	ZINC000177007715	618251947	/nfs/dbraw/zinc/25/19/47/618251947.db2.gz	MQBQVBMLCMPOQV-UHFFFAOYSA-N	-1	0	273.238	2.904	20	30		CFEDRM
Cc1nc(N2CCCC[C@@H]2CC(=O)[O-])c(Cl)cc1C#N	ZINC000312498923	618298663	/nfs/dbraw/zinc/29/86/63/618298663.db2.gz	DQXMZYIKYZLXMS-LLVKDONJSA-N	-1	0	293.754	2.749	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccco2)c1	ZINC000179737647	618344059	/nfs/dbraw/zinc/34/40/59/618344059.db2.gz	AATCYVXJQJJULO-GQCTYLIASA-N	-1	0	254.245	2.509	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccccc1	ZINC000909452411	618350010	/nfs/dbraw/zinc/35/00/10/618350010.db2.gz	ZUTVHKQNHRXKRK-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C#Cc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1	ZINC000909464627	618366649	/nfs/dbraw/zinc/36/66/49/618366649.db2.gz	QABFKTLUXLLBJP-UHFFFAOYSA-N	-1	0	299.370	2.823	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1CCCc2sccc21	ZINC000856031909	618422918	/nfs/dbraw/zinc/42/29/18/618422918.db2.gz	CCNIYMTVQFPHCS-NSHDSACASA-N	-1	0	251.351	2.792	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000312703666	618452697	/nfs/dbraw/zinc/45/26/97/618452697.db2.gz	DGFXQLFDHYIPQB-CQSZACIVSA-N	-1	0	279.380	2.720	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)c1	ZINC000046929249	618458617	/nfs/dbraw/zinc/45/86/17/618458617.db2.gz	KECJOIFJWMEIFJ-WDEREUQCSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CCCC[C@@H]1CCCC1N=Nc1nnc(C)c(=O)[n-]1	ZINC000727254367	618469851	/nfs/dbraw/zinc/46/98/51/618469851.db2.gz	RATBPZIAEMIXSS-SNVBAGLBSA-N	-1	0	263.345	2.644	20	30		CFEDRM
CO[C@H](C)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000726428792	618474955	/nfs/dbraw/zinc/47/49/55/618474955.db2.gz	FJLLQARRKGWQSA-WPIAHNSYSA-N	-1	0	286.715	2.798	20	30		CFEDRM
N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000895227479	618485876	/nfs/dbraw/zinc/48/58/76/618485876.db2.gz	BIWBIAIDWGUFEU-JTQLQIEISA-N	-1	0	266.291	2.796	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000909515446	618535521	/nfs/dbraw/zinc/53/55/21/618535521.db2.gz	MWBCDWAJUVATIB-CYBMUJFWSA-N	-1	0	283.349	2.614	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255914909	618662010	/nfs/dbraw/zinc/66/20/10/618662010.db2.gz	UXPXLAPTFBKFQX-XQRVVYSFSA-N	-1	0	288.259	2.801	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1C	ZINC000180734997	618671412	/nfs/dbraw/zinc/67/14/12/618671412.db2.gz	YKDIQUPQQKGEOL-GFCCVEGCSA-N	-1	0	292.404	2.994	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nnc(CCC)o1	ZINC000194811035	618941860	/nfs/dbraw/zinc/94/18/60/618941860.db2.gz	JEVIXUFCNHAYOU-UHFFFAOYSA-N	-1	0	289.401	2.734	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC1	ZINC000909360265	619002715	/nfs/dbraw/zinc/00/27/15/619002715.db2.gz	MQXHHJWPNNOMPV-AWEZNQCLSA-N	-1	0	291.322	2.814	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1cccc(F)c1[O-]	ZINC000931942939	619165767	/nfs/dbraw/zinc/16/57/67/619165767.db2.gz	YUFUAJCGNFSBSD-UHFFFAOYSA-N	-1	0	278.327	2.933	20	30		CFEDRM
CC(C)[C@H]1CC(=NNc2cnnc([O-])c2Cl)CS1	ZINC000814782693	619258926	/nfs/dbraw/zinc/25/89/26/619258926.db2.gz	NPKFJJSCLBXOSQ-SECBINFHSA-N	-1	0	286.788	2.765	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000261868940	619299370	/nfs/dbraw/zinc/29/93/70/619299370.db2.gz	YTFJEGKDLCJMFN-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
CCCCCOc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000048478797	619342573	/nfs/dbraw/zinc/34/25/73/619342573.db2.gz	FITRECXLOPOOID-UHFFFAOYSA-N	-1	0	285.365	2.520	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1c(C)oc(C)c1C	ZINC000048518586	619348444	/nfs/dbraw/zinc/34/84/44/619348444.db2.gz	MDWBXBFAQMFIGC-UHFFFAOYSA-N	-1	0	273.354	2.639	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1cccs1	ZINC000048519112	619349411	/nfs/dbraw/zinc/34/94/11/619349411.db2.gz	RDCLJJSVCFKDMA-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519382	619349981	/nfs/dbraw/zinc/34/99/81/619349981.db2.gz	WKJGACXROMNOAE-LBPRGKRZSA-N	-1	0	279.361	2.829	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000049003924	619503213	/nfs/dbraw/zinc/50/32/13/619503213.db2.gz	NKILQNRUDBWNPC-GFCCVEGCSA-N	-1	0	299.392	2.764	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(CSC(F)F)o1)C(=O)[O-]	ZINC000793071345	619506737	/nfs/dbraw/zinc/50/67/37/619506737.db2.gz	IIYAHARGTJWIDC-SECBINFHSA-N	-1	0	292.307	2.522	20	30		CFEDRM
CC[C@H](NN=C(C)C(C)(C)c1ccc(F)cc1)C(=O)[O-]	ZINC000793081531	619508437	/nfs/dbraw/zinc/50/84/37/619508437.db2.gz	MMPNIOWXJMVCMU-ZDUSSCGKSA-N	-1	0	280.343	2.932	20	30		CFEDRM
CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000049134963	619535213	/nfs/dbraw/zinc/53/52/13/619535213.db2.gz	LGTBHMCVKWIFNY-JTQLQIEISA-N	-1	0	293.344	2.520	20	30		CFEDRM
C=CC1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	ZINC000909549887	619863995	/nfs/dbraw/zinc/86/39/95/619863995.db2.gz	WMRRMFOJLAYCCV-UHFFFAOYSA-N	-1	0	291.391	2.836	20	30		CFEDRM
CCCc1ncc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000840707862	619871082	/nfs/dbraw/zinc/87/10/82/619871082.db2.gz	ASLUTTCXTQCCTD-VIZOYTHASA-N	-1	0	289.291	2.860	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCC2CCOCC2)c1	ZINC000840708554	619880707	/nfs/dbraw/zinc/88/07/07/619880707.db2.gz	YASURVSXKZYKOD-LFIBNONCSA-N	-1	0	292.335	2.926	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCC[C@@H]3C[C@@H]32)c1	ZINC000840710291	619902635	/nfs/dbraw/zinc/90/26/35/619902635.db2.gz	IRJLBRSGPJFSPO-RRBOOTQTSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=C1CC(C)(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1	ZINC000909624254	620003241	/nfs/dbraw/zinc/00/32/41/620003241.db2.gz	MOAIQHPFFOITRV-LSDHHAIUSA-N	-1	0	299.370	2.670	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000899296481	620541298	/nfs/dbraw/zinc/54/12/98/620541298.db2.gz	YAFUCQQVSDNUKV-LLVKDONJSA-N	-1	0	261.321	2.603	20	30		CFEDRM
CC1(C)CCC/C(=C\c2ccc(C(=O)[O-])nc2)C1=O	ZINC000899363187	620550675	/nfs/dbraw/zinc/55/06/75/620550675.db2.gz	HDJKRQAQVACAKM-DHZHZOJOSA-N	-1	0	259.305	2.942	20	30		CFEDRM
O=C(/C=C\c1ccnn1C1CCC1)c1ccc(O)cc1[O-]	ZINC000899362506	620553655	/nfs/dbraw/zinc/55/36/55/620553655.db2.gz	VVJSTBTVCAFPOU-DAXSKMNVSA-N	-1	0	284.315	2.915	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000899538726	620579808	/nfs/dbraw/zinc/57/98/08/620579808.db2.gz	ZTYNTRWWKXGFTO-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1F	ZINC000042243285	620580655	/nfs/dbraw/zinc/58/06/55/620580655.db2.gz	MDGCKYXFBDUQHS-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(CC#N)c1	ZINC000899787762	620599658	/nfs/dbraw/zinc/59/96/58/620599658.db2.gz	BAHBJYOPZDTQGR-ZDUSSCGKSA-N	-1	0	288.347	2.828	20	30		CFEDRM
C=C(CC)CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899788938	620599845	/nfs/dbraw/zinc/59/98/45/620599845.db2.gz	JJVGXXTVGKSBPC-AWEZNQCLSA-N	-1	0	275.348	2.636	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1	ZINC000899788963	620599857	/nfs/dbraw/zinc/59/98/57/620599857.db2.gz	JRWMTPZCGVDKBW-ZDUSSCGKSA-N	-1	0	288.347	2.942	20	30		CFEDRM
C=CCN(C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)C1CC1	ZINC000899817698	620604142	/nfs/dbraw/zinc/60/41/42/620604142.db2.gz	BCSPPUVEXYSZFL-OAHLLOKOSA-N	-1	0	287.359	2.730	20	30		CFEDRM
C=C(C)CN(C)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899818611	620604499	/nfs/dbraw/zinc/60/44/99/620604499.db2.gz	QGHCDUGTCULUEI-AWEZNQCLSA-N	-1	0	275.348	2.588	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899826770	620604961	/nfs/dbraw/zinc/60/49/61/620604961.db2.gz	GJGCJKWJGLOUAO-XREXNNHRSA-N	-1	0	291.391	2.760	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000899854930	620606774	/nfs/dbraw/zinc/60/67/74/620606774.db2.gz	QFEMWVSQGKXXGU-MRXNPFEDSA-N	-1	0	293.338	2.639	20	30		CFEDRM
CCc1nocc1/C=C1\CCc2occ(C(=O)[O-])c2C1=O	ZINC000901516105	620853751	/nfs/dbraw/zinc/85/37/51/620853751.db2.gz	PYBYVQXANOXZOL-VMPITWQZSA-N	-1	0	287.271	2.741	20	30		CFEDRM
CC(C)Cn1nccc1/C=C/C(=O)c1cncc(C(=O)[O-])c1	ZINC000901553315	620862535	/nfs/dbraw/zinc/86/25/35/620862535.db2.gz	ZPSIVQRLECNOTP-ONEGZZNKSA-N	-1	0	299.330	2.528	20	30		CFEDRM
C=CCC[C@H](NCc1nc2c(s1)CCCC2)C(=O)[O-]	ZINC000901690332	620895795	/nfs/dbraw/zinc/89/57/95/620895795.db2.gz	NYCWACJXDUCTKY-NSHDSACASA-N	-1	0	280.393	2.531	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000902026658	620954375	/nfs/dbraw/zinc/95/43/75/620954375.db2.gz	OFBBINZWKZUXRI-GRYCIOLGSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1	ZINC000902052346	620965141	/nfs/dbraw/zinc/96/51/41/620965141.db2.gz	ZGPDFPJNHDCCKN-ZHRWSRJISA-N	-1	0	289.331	2.806	20	30		CFEDRM
CC(C)C[C@H](CNC(=O)C1(C#N)CCCCC1)CC(=O)[O-]	ZINC000902079871	620969933	/nfs/dbraw/zinc/96/99/33/620969933.db2.gz	JGPXNQQBPMIBSV-ZDUSSCGKSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1cccc(C#N)c1	ZINC000902730746	621160495	/nfs/dbraw/zinc/16/04/95/621160495.db2.gz	SLWVUEINPUNXNC-NSHDSACASA-N	-1	0	288.347	2.626	20	30		CFEDRM
C=CCCCCCN1c2ccsc2C([O-])=CS1(=O)=O	ZINC000902801696	621173550	/nfs/dbraw/zinc/17/35/50/621173550.db2.gz	QYNNISIHWREFLO-UHFFFAOYSA-N	-1	0	299.417	2.827	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccccc1F)C(=O)[O-]	ZINC000905016112	621681828	/nfs/dbraw/zinc/68/18/28/621681828.db2.gz	PXQYVYDICHWXHF-GFCCVEGCSA-N	-1	0	280.299	2.757	20	30		CFEDRM
C=CCCC[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000905507967	621783443	/nfs/dbraw/zinc/78/34/43/621783443.db2.gz	AMBNEINRENLKBJ-JSGCOSHPSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCn1ncc2ccc(N[C@H](C)[C@H]3C[C@@H]3C(=O)[O-])cc21	ZINC000905751017	621832713	/nfs/dbraw/zinc/83/27/13/621832713.db2.gz	HIAVFHJDLQXLSU-HONMWMINSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C=CCn1ncc2ccc(NC3CC(C)(C(=O)[O-])C3)cc21	ZINC000905750409	621832873	/nfs/dbraw/zinc/83/28/73/621832873.db2.gz	DIEZHFVEGNUTRE-UHFFFAOYSA-N	-1	0	285.347	2.888	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000907608062	622138876	/nfs/dbraw/zinc/13/88/76/622138876.db2.gz	CXJPZLYKQVLWBT-HZMBPMFUSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000907584723	622139693	/nfs/dbraw/zinc/13/96/93/622139693.db2.gz	LPNAHHNMCBGSNF-LSDHHAIUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](C)CCC(=O)[O-])CCCCC1	ZINC000907623242	622142577	/nfs/dbraw/zinc/14/25/77/622142577.db2.gz	GWTBZKWDEVFDNF-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000907661835	622148396	/nfs/dbraw/zinc/14/83/96/622148396.db2.gz	RUSSZTLMNMBXRJ-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000907662893	622148425	/nfs/dbraw/zinc/14/84/25/622148425.db2.gz	ZLXUUMLAKVIKTO-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000907704057	622153847	/nfs/dbraw/zinc/15/38/47/622153847.db2.gz	SSQLZZVODCNTFE-NHYWBVRUSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000907704053	622153859	/nfs/dbraw/zinc/15/38/59/622153859.db2.gz	SSQLZZVODCNTFE-ABAIWWIYSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000907780070	622162956	/nfs/dbraw/zinc/16/29/56/622162956.db2.gz	BIDYPNUUKUZASJ-IGQOVBAYSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc(C(=O)[O-])oc1C	ZINC000908220982	622203201	/nfs/dbraw/zinc/20/32/01/622203201.db2.gz	ZZIIPEJHRVQWQO-UHFFFAOYSA-N	-1	0	265.309	2.715	20	30		CFEDRM
C=C1CCC(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1	ZINC000908607229	622249277	/nfs/dbraw/zinc/24/92/77/622249277.db2.gz	ZRUNMBJBPXTBET-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@@H](CC=C(C)C)C(=O)[O-])c1	ZINC000908622770	622253266	/nfs/dbraw/zinc/25/32/66/622253266.db2.gz	YCFBJFZPKNGOOA-AWEZNQCLSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3cc(C(=O)[O-])ccc32)C1	ZINC000908646445	622253652	/nfs/dbraw/zinc/25/36/52/622253652.db2.gz	NHFUUJXDYVVSEZ-UHFFFAOYSA-N	-1	0	271.316	2.630	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1nc(CCC)cs1)C(=O)[O-]	ZINC000908682566	622259425	/nfs/dbraw/zinc/25/94/25/622259425.db2.gz	BLOFSBRGJHWLGP-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C#CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1CCCCC1	ZINC000908759653	622272919	/nfs/dbraw/zinc/27/29/19/622272919.db2.gz	DMBKSRNUMWNIKM-LSDHHAIUSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000909030554	622298134	/nfs/dbraw/zinc/29/81/34/622298134.db2.gz	MKRFEATUOKJJGY-AWEZNQCLSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909030913	622298227	/nfs/dbraw/zinc/29/82/27/622298227.db2.gz	PTCOCZGIEBZBRN-CYBMUJFWSA-N	-1	0	294.326	2.525	20	30		CFEDRM
C=CCCCNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1	ZINC000909123086	622315372	/nfs/dbraw/zinc/31/53/72/622315372.db2.gz	KISLTHBYIJJYJK-CYBMUJFWSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C#CCC1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCCC1	ZINC000909261464	622333689	/nfs/dbraw/zinc/33/36/89/622333689.db2.gz	JAHNUVLWIOJXGV-UHFFFAOYSA-N	-1	0	289.331	2.568	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909704261	622343475	/nfs/dbraw/zinc/34/34/75/622343475.db2.gz	SFPYFIIECMZHPP-CYBMUJFWSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC=C)c1ccccc1)C(=O)[O-]	ZINC000909711500	622343870	/nfs/dbraw/zinc/34/38/70/622343870.db2.gz	CBWSFJZMPBNNQT-LSDHHAIUSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000909711733	622343969	/nfs/dbraw/zinc/34/39/69/622343969.db2.gz	FJRMRMQYUXQJMM-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(C2CCCCC2)CC1)C(=O)[O-]	ZINC000909713495	622344573	/nfs/dbraw/zinc/34/45/73/622344573.db2.gz	FNHJYRPQZHTQQY-ZDUSSCGKSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000909717279	622345983	/nfs/dbraw/zinc/34/59/83/622345983.db2.gz	XQRDOWQGTTXPMB-JSGCOSHPSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909797599	622351527	/nfs/dbraw/zinc/35/15/27/622351527.db2.gz	WHVUZAWMMDWADE-INIZCTEOSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909850925	622357708	/nfs/dbraw/zinc/35/77/08/622357708.db2.gz	IUVFVDUULHFEHU-UHFFFAOYSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C#CCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000909832856	622358648	/nfs/dbraw/zinc/35/86/48/622358648.db2.gz	GUVGUZBHAFAOTG-NSHDSACASA-N	-1	0	259.305	2.617	20	30		CFEDRM
C=CCCC1(CNC(=O)CCSCC(=O)[O-])CCCC1	ZINC000909945000	622375200	/nfs/dbraw/zinc/37/52/00/622375200.db2.gz	NHGCAHGVCFLHEY-UHFFFAOYSA-N	-1	0	299.436	2.837	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000909987394	622380153	/nfs/dbraw/zinc/38/01/53/622380153.db2.gz	SXGUWWRYWOLKNN-HNNXBMFYSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C#CC[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-]	ZINC000910055144	622392498	/nfs/dbraw/zinc/39/24/98/622392498.db2.gz	YHQPGCKAXDBBHP-GPANFISMSA-N	-1	0	299.370	2.553	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910054034	622392536	/nfs/dbraw/zinc/39/25/36/622392536.db2.gz	HRZJLKNINQYJCI-OAGGEKHMSA-N	-1	0	299.370	2.506	20	30		CFEDRM
C#CCCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000910097863	622405181	/nfs/dbraw/zinc/40/51/81/622405181.db2.gz	BMPCWJVXZYEXAX-HOTGVXAUSA-N	-1	0	299.370	2.997	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910154404	622407384	/nfs/dbraw/zinc/40/73/84/622407384.db2.gz	CRAGGGLALGAZEU-QMMMGPOBSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)C(=O)[O-]	ZINC000910268442	622421282	/nfs/dbraw/zinc/42/12/82/622421282.db2.gz	YIVKSIXCPNZCEC-VHSXEESVSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)C1	ZINC000910232728	622414520	/nfs/dbraw/zinc/41/45/20/622414520.db2.gz	FWEUYJFOMQPKQX-CYBMUJFWSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910232712	622414625	/nfs/dbraw/zinc/41/46/25/622414625.db2.gz	FRKGUBYZZVBPMM-BBRMVZONSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000910251806	622419295	/nfs/dbraw/zinc/41/92/95/622419295.db2.gz	YIIAPALKCKWUCJ-UONOGXRCSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000910288723	622426624	/nfs/dbraw/zinc/42/66/24/622426624.db2.gz	ZEIMHEQSOGWORU-NSHDSACASA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000910291221	622429827	/nfs/dbraw/zinc/42/98/27/622429827.db2.gz	GZCCMJXXETVJHY-LBPRGKRZSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=C1CC(C)(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C1	ZINC000910367193	622436348	/nfs/dbraw/zinc/43/63/48/622436348.db2.gz	NEIDZXOGFTXITD-GFCCVEGCSA-N	-1	0	285.343	2.948	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCC[C@@H]1Nc1ccc(Cl)c(C#N)n1	ZINC000910442788	622445137	/nfs/dbraw/zinc/44/51/37/622445137.db2.gz	KDIAFRAEVHNCDI-GWCFXTLKSA-N	-1	0	279.727	2.662	20	30		CFEDRM
N#Cc1cccc(NC[C@@H](C(=O)[O-])C2CCCCC2)n1	ZINC000910477304	622450253	/nfs/dbraw/zinc/45/02/53/622450253.db2.gz	BPJWAXLMEHITBV-CYBMUJFWSA-N	-1	0	273.336	2.646	20	30		CFEDRM
C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)CCCCC1	ZINC000910860068	622483553	/nfs/dbraw/zinc/48/35/53/622483553.db2.gz	QGIWUPGOVHRJNF-ZIAGYGMSSA-N	-1	0	291.391	2.529	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cnc(C(C)C)s1)C(=O)[O-]	ZINC000910911249	622485547	/nfs/dbraw/zinc/48/55/47/622485547.db2.gz	DLNJHRRTHUYZNT-SNVBAGLBSA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1coc2ccccc21)C(=O)[O-]	ZINC000910914324	622486240	/nfs/dbraw/zinc/48/62/40/622486240.db2.gz	JEGZMQTVJGHPCD-ZDUSSCGKSA-N	-1	0	287.315	2.972	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](CC)OC1CCCC1)C(=O)[O-]	ZINC000910914665	622486376	/nfs/dbraw/zinc/48/63/76/622486376.db2.gz	MJPLPAGDVVHPBO-ZIAGYGMSSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C(C)=C(\C)CC)C(=O)[O-]	ZINC000910916712	622486628	/nfs/dbraw/zinc/48/66/28/622486628.db2.gz	IOVOIRFPIRTJLH-IIANPFDCSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1cccs1)C(=O)[O-]	ZINC000910915003	622486727	/nfs/dbraw/zinc/48/67/27/622486727.db2.gz	RPILWAPIAHXNNK-MNOVXSKESA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1cc(C)ccc1F)C(=O)[O-]	ZINC000910916266	622486826	/nfs/dbraw/zinc/48/68/26/622486826.db2.gz	UNSAPSVVNQQQOX-AWEZNQCLSA-N	-1	0	293.338	2.602	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(C)cccc1C)C(=O)[O-]	ZINC000910915333	622486871	/nfs/dbraw/zinc/48/68/71/622486871.db2.gz	XOGPFBJGIUZDRG-ZDUSSCGKSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000910918774	622487170	/nfs/dbraw/zinc/48/71/70/622487170.db2.gz	PJQGGPLKPFZHDX-QMMMGPOBSA-N	-1	0	287.768	2.941	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)[O-]	ZINC000910919583	622487244	/nfs/dbraw/zinc/48/72/44/622487244.db2.gz	YJJTUDRHFQRKPH-NSHDSACASA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)c1ccccc1)C(=O)[O-]	ZINC000910917546	622487373	/nfs/dbraw/zinc/48/73/73/622487373.db2.gz	CTAMMIZAIFLPMZ-AWEZNQCLSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(F)cc(C)cc1F)C(=O)[O-]	ZINC000910922947	622487609	/nfs/dbraw/zinc/48/76/09/622487609.db2.gz	PDNIESCFWCIBSG-GFCCVEGCSA-N	-1	0	297.301	2.813	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000910922645	622487644	/nfs/dbraw/zinc/48/76/44/622487644.db2.gz	LRZZJNOWBPUTIV-OLZOCXBDSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000910922350	622487714	/nfs/dbraw/zinc/48/77/14/622487714.db2.gz	INCMQLZPXDWSKS-LLVKDONJSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccoc1C(C)C)C(=O)[O-]	ZINC000910925995	622488239	/nfs/dbraw/zinc/48/82/39/622488239.db2.gz	PMCKCFWBVUYILZ-GFCCVEGCSA-N	-1	0	279.336	2.942	20	30		CFEDRM
C=C1CCC(CNC(=O)Cc2ccc(C(=O)[O-])cc2)CC1	ZINC000910989558	622496140	/nfs/dbraw/zinc/49/61/40/622496140.db2.gz	AWRYBCYVXIKAFG-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C=C1CCC(CNC(=O)c2ccc(C(=O)[O-])c(C)n2)CC1	ZINC000910991321	622496813	/nfs/dbraw/zinc/49/68/13/622496813.db2.gz	PFRORPKDXRMQTD-UHFFFAOYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)[C@H](CC)C(=O)[O-]	ZINC000911401969	622519472	/nfs/dbraw/zinc/51/94/72/622519472.db2.gz	RYPBUIASCFYZSE-LBPRGKRZSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)[C@H](C)CC(=O)[O-]	ZINC000911401102	622519698	/nfs/dbraw/zinc/51/96/98/622519698.db2.gz	FDUNKKFWDAQBTL-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000911462623	622522714	/nfs/dbraw/zinc/52/27/14/622522714.db2.gz	BFQZMIQCSUCRJH-UHFFFAOYSA-N	-1	0	275.304	2.775	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C)c1ccncc1	ZINC000819819199	622563988	/nfs/dbraw/zinc/56/39/88/622563988.db2.gz	UAGQVZIJMMOBQW-GVXVVHGQSA-N	-1	0	275.352	2.609	20	30		CFEDRM
N#CCCN(Cc1ccco1)Cc1ccccc1C(=O)[O-]	ZINC000833760175	625576990	/nfs/dbraw/zinc/57/69/90/625576990.db2.gz	JEUOYPCSCVKJSP-UHFFFAOYSA-N	-1	0	284.315	2.894	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000819933909	622576738	/nfs/dbraw/zinc/57/67/38/622576738.db2.gz	AKFQZRLCFCNCFB-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
Cc1cccc2c(C([O-])=C(C#N)C(=O)NC(C)C)coc21	ZINC000819943124	622578682	/nfs/dbraw/zinc/57/86/82/622578682.db2.gz	OKDIGQTZHGDEAA-GFCCVEGCSA-N	-1	0	284.315	2.588	20	30		CFEDRM
CCCc1ccc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820326081	622649585	/nfs/dbraw/zinc/64/95/85/622649585.db2.gz	RVDNVHVZSBOCSD-MRXNPFEDSA-N	-1	0	289.331	2.687	20	30		CFEDRM
CCCCCCCCCNC(=O)c1cc(=O)n(C)[n-]1	ZINC000820924524	622793260	/nfs/dbraw/zinc/79/32/60/622793260.db2.gz	GIMPCXUPIKSMIX-UHFFFAOYSA-N	-1	0	267.373	2.606	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2ccc(F)cc2[O-])c[nH]1	ZINC000156718997	622962178	/nfs/dbraw/zinc/96/21/78/622962178.db2.gz	RWSNJSITYVRBNG-GORDUTHDSA-N	-1	0	289.262	2.542	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1CC=CCC1	ZINC000045099679	622964936	/nfs/dbraw/zinc/96/49/36/622964936.db2.gz	VQIQQUWXYNICLL-LBPRGKRZSA-N	-1	0	297.351	2.968	20	30		CFEDRM
CNC(=O)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000184517517	625609933	/nfs/dbraw/zinc/60/99/33/625609933.db2.gz	MUXDPLULMCNHCR-QPJJXVBHSA-N	-1	0	287.340	2.709	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2\Oc3cc(O)ccc3C2=O)c1	ZINC000168394389	623092185	/nfs/dbraw/zinc/09/21/85/623092185.db2.gz	JEHMGYNWHYVUFO-AUWJEWJLSA-N	-1	0	282.251	2.707	20	30		CFEDRM
CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000046708587	623094135	/nfs/dbraw/zinc/09/41/35/623094135.db2.gz	JKYLSTZEGGWICS-UHFFFAOYSA-N	-1	0	289.356	2.943	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c(C)c1	ZINC000046929991	623104767	/nfs/dbraw/zinc/10/47/67/623104767.db2.gz	COQKZJXXSVBYPV-KOLCDFICSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@](COC)(C(=O)[O-])C1	ZINC000823362152	623298114	/nfs/dbraw/zinc/29/81/14/623298114.db2.gz	PODRDHZBBBZPKK-INIZCTEOSA-N	-1	0	299.411	2.687	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(\C)c1ccccc1)C(=O)[O-]	ZINC000823369129	623299681	/nfs/dbraw/zinc/29/96/81/623299681.db2.gz	WUZIYNCDLUJKRX-GETOMWPZSA-N	-1	0	273.332	2.626	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000184773362	625648184	/nfs/dbraw/zinc/64/81/84/625648184.db2.gz	KPLKHWKUSRMESH-QPJJXVBHSA-N	-1	0	267.284	2.984	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814906047	623483534	/nfs/dbraw/zinc/48/35/34/623483534.db2.gz	DJHDXTUWTNINBP-PWSUYJOCSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CCCC(CC)N=Nc1cccc(-c2nn[nH]n2)c1	ZINC000825233451	623655289	/nfs/dbraw/zinc/65/52/89/623655289.db2.gz	PRYRVXJGHRENOQ-UHFFFAOYSA-N	-1	0	258.329	2.845	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1ccc(F)cc1	ZINC000825565451	623716494	/nfs/dbraw/zinc/71/64/94/623716494.db2.gz	DTJWHJOLSZDHGW-JTQLQIEISA-N	-1	0	269.341	2.930	20	30		CFEDRM
C[C@H](NN=Cc1cccc(C(=O)[O-])c1Cl)C(F)(F)F	ZINC000834998458	623920271	/nfs/dbraw/zinc/92/02/71/623920271.db2.gz	HZJLSYACZXGUED-LURJTMIESA-N	-1	0	294.660	2.913	20	30		CFEDRM
CC1(/C=C\C(=O)Nc2cc(C#N)ccc2[O-])CCOCC1	ZINC000827830327	624105111	/nfs/dbraw/zinc/10/51/11/624105111.db2.gz	XCNFJJUPFOXKPL-PLNGDYQASA-N	-1	0	286.331	2.575	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCc2cccc(F)c2)cc1	ZINC000915965591	624203824	/nfs/dbraw/zinc/20/38/24/624203824.db2.gz	VBQRLYPZDNFXGG-UHFFFAOYSA-N	-1	0	272.279	2.648	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(O)cc2)c1	ZINC000916157876	624226460	/nfs/dbraw/zinc/22/64/60/624226460.db2.gz	WSZIVEWQCAGQLC-TWGQIWQCSA-N	-1	0	298.294	2.752	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc3c(c2)OCCO3)c1	ZINC000916255416	624230790	/nfs/dbraw/zinc/23/07/90/624230790.db2.gz	ZLIUGNPSKMZOIC-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
Cn1cccc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000916260030	624230874	/nfs/dbraw/zinc/23/08/74/624230874.db2.gz	XSSMVTLWEXFQSY-UHFFFAOYSA-N	-1	0	277.711	2.823	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc([N+](=O)[O-])c2)c1	ZINC000916255357	624231101	/nfs/dbraw/zinc/23/11/01/624231101.db2.gz	UYEDUPBTGDQJRO-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
Cc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1	ZINC000916304930	624238329	/nfs/dbraw/zinc/23/83/29/624238329.db2.gz	HKWFWBMYKXJGOA-UHFFFAOYSA-N	-1	0	286.282	2.776	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CCCC	ZINC000916788270	624284496	/nfs/dbraw/zinc/28/44/96/624284496.db2.gz	WQCZVDPMDIUGOB-UHFFFAOYSA-N	-1	0	277.430	2.983	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1	ZINC000916893921	624291169	/nfs/dbraw/zinc/29/11/69/624291169.db2.gz	LDCULXQXILVPAW-OAHLLOKOSA-N	-1	0	284.359	2.766	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CCCC)cc1	ZINC000916917071	624291963	/nfs/dbraw/zinc/29/19/63/624291963.db2.gz	HAOZFWHHKHBSDF-OAHLLOKOSA-N	-1	0	284.359	2.654	20	30		CFEDRM
Cc1nnc(N=NC(CCc2ccccc2)C(C)C)[n-]c1=O	ZINC000917539041	624352546	/nfs/dbraw/zinc/35/25/46/624352546.db2.gz	SHRANAUTWYIXQJ-UHFFFAOYSA-N	-1	0	299.378	2.942	20	30		CFEDRM
c1nc2nc[n-]c(NN=C3CCCCc4ccccc43)c-2n1	ZINC000917555872	624359403	/nfs/dbraw/zinc/35/94/03/624359403.db2.gz	ZDCWWXXYRXJTCX-UHFFFAOYSA-N	-1	0	292.346	2.896	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2sccc2s1	ZINC000918486507	624440448	/nfs/dbraw/zinc/44/04/48/624440448.db2.gz	IUIAZWVUAMQELD-QMMMGPOBSA-N	-1	0	292.385	2.810	20	30		CFEDRM
CCC/C=C\C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919241713	624545139	/nfs/dbraw/zinc/54/51/39/624545139.db2.gz	CWTKIEIXVZMMGU-GZTOBOFZSA-N	-1	0	292.360	2.527	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=CC=Cc1ccco1	ZINC000920361390	624714623	/nfs/dbraw/zinc/71/46/23/624714623.db2.gz	NQEYCXPINLAXQA-YNFZOCRNSA-N	-1	0	288.254	2.726	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2n[nH]c3ccccc32)c1	ZINC000920943219	624784853	/nfs/dbraw/zinc/78/48/53/624784853.db2.gz	SHWSWTSIPMQCOV-UHFFFAOYSA-N	-1	0	282.259	2.927	20	30		CFEDRM
Cc1cncc(/C=C/C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000179741337	624976113	/nfs/dbraw/zinc/97/61/13/624976113.db2.gz	RTQZBHXMLUWFME-HWKANZROSA-N	-1	0	279.299	2.619	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1C(C)C)C(=O)[O-]	ZINC000851605420	634454245	/nfs/dbraw/zinc/45/42/45/634454245.db2.gz	JGMVSIUJJPPNHU-CQSZACIVSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000851616527	634458164	/nfs/dbraw/zinc/45/81/64/634458164.db2.gz	QDLZUDZGFBRLGJ-SLTAFYQDSA-N	-1	0	291.391	2.529	20	30		CFEDRM
Cc1nnc(N=NC2CCCC23CCCCC3)[n-]c1=O	ZINC000834926109	625924938	/nfs/dbraw/zinc/92/49/38/625924938.db2.gz	WMJXNWNHWRKXEK-UHFFFAOYSA-N	-1	0	275.356	2.788	20	30		CFEDRM
Cc1nnc(NN=C2CC[C@H](C)c3ccsc32)[n-]c1=O	ZINC000834925297	625924961	/nfs/dbraw/zinc/92/49/61/625924961.db2.gz	LNPQFVUAHFCMLS-ZETCQYMHSA-N	-1	0	289.364	2.661	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ccncn1	ZINC000835000273	625949553	/nfs/dbraw/zinc/94/95/53/625949553.db2.gz	CKQBRCDXJUEMCF-UHFFFAOYSA-N	-1	0	296.330	2.717	20	30		CFEDRM
CC(C)(CCC#N)CN=Nc1ccc(C(=O)[O-])nc1	ZINC000835006934	625954214	/nfs/dbraw/zinc/95/42/14/625954214.db2.gz	MGIKBZRYGILFRX-UHFFFAOYSA-N	-1	0	260.297	2.507	20	30		CFEDRM
C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)[O-])nc2)o1	ZINC000835007429	625954580	/nfs/dbraw/zinc/95/45/80/625954580.db2.gz	TWZSDARZEWTVPV-BXKDBHETSA-N	-1	0	285.303	2.942	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008210	625954809	/nfs/dbraw/zinc/95/48/09/625954809.db2.gz	HCBXAWKPELWBSY-ZANVPECISA-N	-1	0	282.315	2.983	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009134	625955884	/nfs/dbraw/zinc/95/58/84/625955884.db2.gz	OKPAAFPSKFPZTQ-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
COC1CCC(N=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000835010080	625956962	/nfs/dbraw/zinc/95/69/62/625956962.db2.gz	NODLYYJMOPABCZ-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NNCC(C)C	ZINC000814892101	625959821	/nfs/dbraw/zinc/95/98/21/625959821.db2.gz	KBVLSYPFRGPYLM-UHFFFAOYSA-N	-1	0	292.379	2.704	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccnc(Cl)c1	ZINC000073837823	626396140	/nfs/dbraw/zinc/39/61/40/626396140.db2.gz	ZIDPNWMGAJRJPK-UHFFFAOYSA-N	-1	0	290.772	2.558	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000923064057	626448517	/nfs/dbraw/zinc/44/85/17/626448517.db2.gz	LXCQMJQKXOGMQB-AWEZNQCLSA-N	-1	0	260.293	2.572	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000923076588	626449224	/nfs/dbraw/zinc/44/92/24/626449224.db2.gz	SHLXNCNQYOECGL-UHFFFAOYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000923080785	626449407	/nfs/dbraw/zinc/44/94/07/626449407.db2.gz	NCJPIUGTCQUUKE-MEBBXXQBSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923093152	626450397	/nfs/dbraw/zinc/45/03/97/626450397.db2.gz	YTOAPFSZGZJHFQ-QMMMGPOBSA-N	-1	0	283.349	2.674	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000923098129	626451023	/nfs/dbraw/zinc/45/10/23/626451023.db2.gz	GIEXUEDMRNUGCD-ZDUSSCGKSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923168863	626454484	/nfs/dbraw/zinc/45/44/84/626454484.db2.gz	VAGGTAZJSDDGQB-BBRMVZONSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C[C@@H]1C(=NNCCC(C)(C)C)CC[C@H]1CC(=O)[O-]	ZINC000814901357	626480768	/nfs/dbraw/zinc/48/07/68/626480768.db2.gz	KHHDSRAPEXCNKN-QWRGUYRKSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1	ZINC000842798526	626485403	/nfs/dbraw/zinc/48/54/03/626485403.db2.gz	CYDUWIFTOZYSQY-NWDGAFQWSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CCCCCCCCC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000103433443	626535111	/nfs/dbraw/zinc/53/51/11/626535111.db2.gz	ZMSNFBRNSLUBLR-GFCCVEGCSA-N	-1	0	257.374	2.916	20	30		CFEDRM
CCO[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCC1	ZINC000867013250	626538010	/nfs/dbraw/zinc/53/80/10/626538010.db2.gz	OZQFLNGSAUJZFZ-OAHLLOKOSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000103504163	626547520	/nfs/dbraw/zinc/54/75/20/626547520.db2.gz	YKBRSNDIZZALLC-ZDUSSCGKSA-N	-1	0	257.374	2.962	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000757466980	626552950	/nfs/dbraw/zinc/55/29/50/626552950.db2.gz	AJCMMPFMJGOMDT-AATRIKPKSA-N	-1	0	292.722	2.689	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)cc2F)n1	ZINC000758069932	626575542	/nfs/dbraw/zinc/57/55/42/626575542.db2.gz	OVPQKQUREAOCPO-BASDRIDLSA-N	-1	0	290.273	2.880	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758117616	626577287	/nfs/dbraw/zinc/57/72/87/626577287.db2.gz	FRLDDEXXBRTLLE-CYBMUJFWSA-N	-1	0	280.280	2.568	20	30		CFEDRM
C[C@H](C[C@@H]1CCOC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759641120	626678977	/nfs/dbraw/zinc/67/89/77/626678977.db2.gz	BUHCDUMAVCDOJU-OUFKSKKLSA-N	-1	0	278.308	2.534	20	30		CFEDRM
COC1CCC(CC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000759720647	626687003	/nfs/dbraw/zinc/68/70/03/626687003.db2.gz	QMTJZYRWTCSKPN-UHFFFAOYSA-N	-1	0	288.347	2.798	20	30		CFEDRM
Cc1nc(C2CC2)oc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000760017896	626709752	/nfs/dbraw/zinc/70/97/52/626709752.db2.gz	CJQLGHPXRYICNP-UHFFFAOYSA-N	-1	0	283.287	2.690	20	30		CFEDRM
CCCC[C@@H](CC)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000760250086	626724123	/nfs/dbraw/zinc/72/41/23/626724123.db2.gz	PHWILNSHHUGREO-LLVKDONJSA-N	-1	0	265.361	2.890	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000760335471	626735846	/nfs/dbraw/zinc/73/58/46/626735846.db2.gz	VAYTXPCKCSWXMH-JTQLQIEISA-N	-1	0	257.318	2.591	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc2sccc2c1	ZINC000761037256	626792923	/nfs/dbraw/zinc/79/29/23/626792923.db2.gz	LWTJCYPJIIYBCW-GFCCVEGCSA-N	-1	0	286.356	2.748	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](CC)CCCC	ZINC000762069312	626886653	/nfs/dbraw/zinc/88/66/53/626886653.db2.gz	RISIGCFDGHMQTH-GFCCVEGCSA-N	-1	0	255.358	2.692	20	30		CFEDRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000763101037	626963980	/nfs/dbraw/zinc/96/39/80/626963980.db2.gz	KMEHCGTZXJYVCQ-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccc(F)c2F)nc1	ZINC000763368494	626983061	/nfs/dbraw/zinc/98/30/61/626983061.db2.gz	MOJQGXOOODIOAZ-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])cn2)C[C@H]1OC	ZINC000763370620	626983664	/nfs/dbraw/zinc/98/36/64/626983664.db2.gz	SOPWNUYOZAIXRF-GFCCVEGCSA-N	-1	0	291.351	2.773	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccccc2C(=O)[O-])c1	ZINC000764708213	627086236	/nfs/dbraw/zinc/08/62/36/627086236.db2.gz	DKLHBWPWHHQLPV-UHFFFAOYSA-N	-1	0	268.316	2.817	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000764716350	627087388	/nfs/dbraw/zinc/08/73/88/627087388.db2.gz	WWBNCQOGLARFSI-UHFFFAOYSA-N	-1	0	285.303	2.733	20	30		CFEDRM
O=C([O-])c1cc(N=NCC[C@H]2CCOC2)ccc1Cl	ZINC000765547469	627146564	/nfs/dbraw/zinc/14/65/64/627146564.db2.gz	ATYPODOSJMCXSQ-VIFPVBQESA-N	-1	0	282.727	2.863	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)c(F)c1	ZINC000765559934	627147286	/nfs/dbraw/zinc/14/72/86/627147286.db2.gz	NDZJMBXRIOBHRP-UHFFFAOYSA-N	-1	0	295.705	2.514	20	30		CFEDRM
CC(Cc1ccncc1)N=Nc1cccc(C(=O)[O-])c1	ZINC000767744601	627281550	/nfs/dbraw/zinc/28/15/50/627281550.db2.gz	SGUKJDCTRVVIBL-UHFFFAOYSA-N	-1	0	269.304	2.810	20	30		CFEDRM
Cc1nnc(NN=Cc2ccc(C(C)(C)C)s2)[n-]c1=O	ZINC000769798839	627475305	/nfs/dbraw/zinc/47/53/05/627475305.db2.gz	YTYADJFONXNEJF-UHFFFAOYSA-N	-1	0	291.380	2.691	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1cnccc1C	ZINC000771557802	627613409	/nfs/dbraw/zinc/61/34/09/627613409.db2.gz	NFJJHPMWUHBGHW-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
Cn1nnc2cc(C=CC(=O)c3sccc3[O-])ccc21	ZINC000773142936	627788173	/nfs/dbraw/zinc/78/81/73/627788173.db2.gz	JEVWJAXSYVCBIC-HWKANZROSA-N	-1	0	285.328	2.632	20	30		CFEDRM
Cc1nnc(N=NC(C)Cc2ccc(Cl)cc2)[n-]c1=O	ZINC000773191875	627793720	/nfs/dbraw/zinc/79/37/20/627793720.db2.gz	LOCRQEHIMWZWAV-UHFFFAOYSA-N	-1	0	291.742	2.570	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2s[n-]c(=O)c2Cl)c1	ZINC000773747020	627853740	/nfs/dbraw/zinc/85/37/40/627853740.db2.gz	DEUZBZQRPTXZHK-UHFFFAOYSA-N	-1	0	278.720	2.736	20	30		CFEDRM
COC(=O)c1coc(/C=C\C(=O)c2ccc(F)cc2[O-])c1	ZINC000774134549	627891993	/nfs/dbraw/zinc/89/19/93/627891993.db2.gz	CUSDUKDVWBWUES-HYXAFXHYSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CCC(CC)CNN=Cc1[nH]nc2cc(C(=O)[O-])ccc12	ZINC000774473727	627930326	/nfs/dbraw/zinc/93/03/26/627930326.db2.gz	VXGRVCVSWWEKBL-UHFFFAOYSA-N	-1	0	288.351	2.621	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2cscn2)c1	ZINC000776191323	628114567	/nfs/dbraw/zinc/11/45/67/628114567.db2.gz	GBHKQIRZLPTLLN-SNAWJCMRSA-N	-1	0	289.312	2.503	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2cscn2)cc1	ZINC000776193881	628115164	/nfs/dbraw/zinc/11/51/64/628115164.db2.gz	VXQLKRGIGVCROU-UTCJRWHESA-N	-1	0	289.312	2.503	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccccc2F)ccc1O	ZINC000777431861	628224853	/nfs/dbraw/zinc/22/48/53/628224853.db2.gz	CIXTYNBLUYWLFO-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc2ccccc2s1	ZINC000780196879	628438578	/nfs/dbraw/zinc/43/85/78/628438578.db2.gz	CWURZRDRCFYPCY-UHFFFAOYSA-N	-1	0	299.359	2.936	20	30		CFEDRM
O=C([O-])c1ccccc1NN=C1CCc2cc(O)ccc21	ZINC000780202324	628439060	/nfs/dbraw/zinc/43/90/60/628439060.db2.gz	VMGWUUQBKZATJE-UHFFFAOYSA-N	-1	0	282.299	2.853	20	30		CFEDRM
CC1(C)C[C@H](NN=Cc2cccc(Cl)c2[O-])CCO1	ZINC000780241344	628443211	/nfs/dbraw/zinc/44/32/11/628443211.db2.gz	ODWFLLRTVPTJSD-LLVKDONJSA-N	-1	0	282.771	2.927	20	30		CFEDRM
COc1ccc(NN=C(C)c2sccc2[O-])nc1	ZINC000780268989	628448828	/nfs/dbraw/zinc/44/88/28/628448828.db2.gz	YZNKPKMJFLMAOJ-UHFFFAOYSA-N	-1	0	263.322	2.693	20	30		CFEDRM
COc1ccc(NN=C(C)c2ccc(O)cc2F)nc1	ZINC000780276667	628449556	/nfs/dbraw/zinc/44/95/56/628449556.db2.gz	PJVMUYYGEJJXMY-UHFFFAOYSA-N	-1	0	275.283	2.771	20	30		CFEDRM
Cc1ccc(F)cc1C(=O)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000782025718	628598138	/nfs/dbraw/zinc/59/81/38/628598138.db2.gz	ZVOCVATUMBJGTI-UHFFFAOYSA-N	-1	0	298.273	2.533	20	30		CFEDRM
COc1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)ccn1	ZINC000782096135	628604433	/nfs/dbraw/zinc/60/44/33/628604433.db2.gz	HVMSNMOZLDGAPD-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000782298585	628626037	/nfs/dbraw/zinc/62/60/37/628626037.db2.gz	BKCNWBNWAATBPO-CYBMUJFWSA-N	-1	0	276.336	2.593	20	30		CFEDRM
Cc1nc(F)ccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000782342910	628630486	/nfs/dbraw/zinc/63/04/86/628630486.db2.gz	SQWQSUQYDYIQCK-QHHAFSJGSA-N	-1	0	273.263	2.836	20	30		CFEDRM
CC(C)(C)CCNN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000782906742	628663105	/nfs/dbraw/zinc/66/31/05/628663105.db2.gz	DVLHWHOOKCGKFN-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2cccs2)c1	ZINC000786550159	628968227	/nfs/dbraw/zinc/96/82/27/628968227.db2.gz	NIRQYUJMKFAVQO-CYBMUJFWSA-N	-1	0	298.367	2.695	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000787341195	629007929	/nfs/dbraw/zinc/00/79/29/629007929.db2.gz	MCHHPLSDCJMZLV-QMMMGPOBSA-N	-1	0	294.179	2.531	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1n[n-]c2ccccc2c1=O	ZINC000787681670	629025658	/nfs/dbraw/zinc/02/56/58/629025658.db2.gz	QJITVRVIQNQKQJ-NSHDSACASA-N	-1	0	283.331	2.516	20	30		CFEDRM
CCCCC[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000788314796	629057950	/nfs/dbraw/zinc/05/79/50/629057950.db2.gz	KFNSSMCQEOKYBY-CYBMUJFWSA-N	-1	0	289.335	2.713	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NNc2ccnc(F)c2)c2ccccc21	ZINC000789037630	629119587	/nfs/dbraw/zinc/11/95/87/629119587.db2.gz	PBKGQEFEAYNCED-ZDUSSCGKSA-N	-1	0	299.305	2.999	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOCC(F)(F)F)c2ccccc21	ZINC000789037882	629119771	/nfs/dbraw/zinc/11/97/71/629119771.db2.gz	MQLFRQLSNFSMBS-JTQLQIEISA-N	-1	0	287.237	2.932	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)n(C)n1	ZINC000789155545	629129450	/nfs/dbraw/zinc/12/94/50/629129450.db2.gz	BUKUXFWUSXXGRR-ONEGZZNKSA-N	-1	0	278.258	2.608	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCC(C)(C)C	ZINC000805898239	629170011	/nfs/dbraw/zinc/17/00/11/629170011.db2.gz	DWTGYFVSDONMGW-GFCCVEGCSA-N	-1	0	289.379	2.918	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2c1CCCC2	ZINC000835057910	629361705	/nfs/dbraw/zinc/36/17/05/629361705.db2.gz	GRYBGZUXKXKENP-INIZCTEOSA-N	-1	0	296.370	2.510	20	30		CFEDRM
Cc1sccc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000835063393	629367000	/nfs/dbraw/zinc/36/70/00/629367000.db2.gz	KVBDOUHBPAGYFJ-CYBMUJFWSA-N	-1	0	290.388	2.828	20	30		CFEDRM
Cc1csc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000835063193	629367215	/nfs/dbraw/zinc/36/72/15/629367215.db2.gz	IEDAXMDQCFOPFP-GFCCVEGCSA-N	-1	0	290.388	2.828	20	30		CFEDRM
N#Cc1ccc(C[C@H](C#N)C(=O)[N-]OC2CCCCC2)cc1	ZINC000792337860	629421506	/nfs/dbraw/zinc/42/15/06/629421506.db2.gz	FUSHRXGBJHWHCP-OAHLLOKOSA-N	-1	0	297.358	2.621	20	30		CFEDRM
C#Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000792631500	629439896	/nfs/dbraw/zinc/43/98/96/629439896.db2.gz	KTCIBQSKXUAFOA-UHFFFAOYSA-N	-1	0	264.284	2.812	20	30		CFEDRM
CCCC(Cc1ccccc1)=NN[C@H](CC)C(=O)[O-]	ZINC000793055564	629480693	/nfs/dbraw/zinc/48/06/93/629480693.db2.gz	ACSSLCSHACLDMC-CQSZACIVSA-N	-1	0	262.353	2.838	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000793055230	629480754	/nfs/dbraw/zinc/48/07/54/629480754.db2.gz	KERBCONEQXWZHQ-LLVKDONJSA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@H](NN=Cc1csc(-c2ccccc2)n1)C(=O)[O-]	ZINC000793057881	629481608	/nfs/dbraw/zinc/48/16/08/629481608.db2.gz	QXQLYFVFNCXRCL-LBPRGKRZSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@H](NN=Cc1ccccc1OC1CCCC1)C(=O)[O-]	ZINC000793071360	629482772	/nfs/dbraw/zinc/48/27/72/629482772.db2.gz	DDENCLCNGDGTJQ-AWEZNQCLSA-N	-1	0	290.363	2.795	20	30		CFEDRM
CC[C@H](NN=Cc1cc(Cl)cc(Cl)c1)C(=O)[O-]	ZINC000793071322	629482805	/nfs/dbraw/zinc/48/28/05/629482805.db2.gz	HZLHXPQYOZQSFD-JTQLQIEISA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C)c(Br)c1)C(=O)[O-]	ZINC000793072630	629482899	/nfs/dbraw/zinc/48/28/99/629482899.db2.gz	UCTQSSKRYJLQJZ-NSHDSACASA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(OCCC(C)C)cc1)C(=O)[O-]	ZINC000793071747	629482916	/nfs/dbraw/zinc/48/29/16/629482916.db2.gz	LPSHRNONAXOKEA-OAHLLOKOSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC[C@H](NN=C1CCCOc2c(Cl)cccc21)C(=O)[O-]	ZINC000793070736	629483050	/nfs/dbraw/zinc/48/30/50/629483050.db2.gz	DIGWINYUMYGDHQ-NSHDSACASA-N	-1	0	296.754	2.670	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000793073414	629483868	/nfs/dbraw/zinc/48/38/68/629483868.db2.gz	UWKZWAAKUDSLKB-JTQLQIEISA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H](c2cccnc2)C1)C(=O)[O-]	ZINC000793077883	629484057	/nfs/dbraw/zinc/48/40/57/629484057.db2.gz	JFSKDLCAQKUALZ-RISCZKNCSA-N	-1	0	275.352	2.548	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@H](C)c2ccccc21)C(=O)[O-]	ZINC000793077930	629484442	/nfs/dbraw/zinc/48/44/42/629484442.db2.gz	KBGAFSZVURZKJH-MFKMUULPSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(OC)c2ccccc12)C(=O)[O-]	ZINC000793077875	629484522	/nfs/dbraw/zinc/48/45/22/629484522.db2.gz	JEFQWYDSPGZSFZ-CQSZACIVSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(OCC(=O)[O-])cc1	ZINC000793164054	629496037	/nfs/dbraw/zinc/49/60/37/629496037.db2.gz	QWWHCQPGWPCEIU-NSHDSACASA-N	-1	0	265.309	2.547	20	30		CFEDRM
CC(C)c1ccc2c(c1)C(=N[N-]c1ncncc1F)C(=O)N2	ZINC000793211338	629505501	/nfs/dbraw/zinc/50/55/01/629505501.db2.gz	VQLNKIDFTKBBAQ-UHFFFAOYSA-N	-1	0	299.309	2.507	20	30		CFEDRM
CSCCON=C(C)c1cc(F)cc(F)c1[O-]	ZINC000794572230	629662659	/nfs/dbraw/zinc/66/26/59/629662659.db2.gz	MHMJGVNXATURNR-UHFFFAOYSA-N	-1	0	261.293	2.774	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2ccnc(F)c2)c1	ZINC000794722662	629679966	/nfs/dbraw/zinc/67/99/66/629679966.db2.gz	RYSBSGCMRFSYCD-UPHRSURJSA-N	-1	0	277.276	2.877	20	30		CFEDRM
C[C@@H]1COC(=O)C1=N[N-]c1nc(-c2ccccc2)cs1	ZINC000794887104	629699886	/nfs/dbraw/zinc/69/98/86/629699886.db2.gz	FTVMLILKEKTBBK-SECBINFHSA-N	-1	0	287.344	2.771	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)CC(C)C)CC1	ZINC000835449263	629732949	/nfs/dbraw/zinc/73/29/49/629732949.db2.gz	NEAYUTFCEXBQFQ-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(C)c(Cl)cc1C	ZINC000796637999	629943876	/nfs/dbraw/zinc/94/38/76/629943876.db2.gz	YGYNKBLLAOILOS-GFCCVEGCSA-N	-1	0	290.750	2.582	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000796771827	629963653	/nfs/dbraw/zinc/96/36/53/629963653.db2.gz	NSJKRDBDZNJHNN-CYBMUJFWSA-N	-1	0	288.347	2.656	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000796913041	629988973	/nfs/dbraw/zinc/98/89/73/629988973.db2.gz	RSNPHBDQHXKELQ-LBPRGKRZSA-N	-1	0	295.404	2.796	20	30		CFEDRM
O=C1c2ccc(O)cc2O/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000002888486	630092699	/nfs/dbraw/zinc/09/26/99/630092699.db2.gz	VXXYXZZVKUPRSD-NSIKDUERSA-N	-1	0	299.238	2.622	20	30		CFEDRM
N#CCCCCOC(=O)c1cc([S-])ccc1F	ZINC000798719934	630234134	/nfs/dbraw/zinc/23/41/34/630234134.db2.gz	PAQAAHMZLPWIDS-UHFFFAOYSA-N	-1	0	253.298	2.965	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C2CCC2)c1	ZINC000798814994	630240712	/nfs/dbraw/zinc/24/07/12/630240712.db2.gz	DPIZJVSECJVJKJ-INIZCTEOSA-N	-1	0	296.370	2.899	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C2CCC2)c1	ZINC000798814995	630241827	/nfs/dbraw/zinc/24/18/27/630241827.db2.gz	DPIZJVSECJVJKJ-MRXNPFEDSA-N	-1	0	296.370	2.899	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1cc(CC)on1	ZINC000799639202	630327437	/nfs/dbraw/zinc/32/74/37/630327437.db2.gz	GJUKRDOUOBRSJR-UHFFFAOYSA-N	-1	0	274.386	2.949	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1C#N	ZINC000799713535	630338015	/nfs/dbraw/zinc/33/80/15/630338015.db2.gz	XIBGMROTIGWSBG-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CO[C@H]1CCCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000799742802	630342745	/nfs/dbraw/zinc/34/27/45/630342745.db2.gz	JOQZWXBEOXOJTD-MBZALIHDSA-N	-1	0	278.308	2.677	20	30		CFEDRM
Cn1cnc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000800794272	630404698	/nfs/dbraw/zinc/40/46/98/630404698.db2.gz	AKRAIOCJZKHNHF-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2CCCF)n1	ZINC000800804044	630405815	/nfs/dbraw/zinc/40/58/15/630405815.db2.gz	QPXLJHCDXSXZBF-JTQLQIEISA-N	-1	0	266.320	2.808	20	30		CFEDRM
CSC1(CN=Nc2ccccc2C(=O)[O-])CC1	ZINC000800808930	630406251	/nfs/dbraw/zinc/40/62/51/630406251.db2.gz	VMIQPMNVZDSMBY-UHFFFAOYSA-N	-1	0	250.323	2.678	20	30		CFEDRM
Cc1cc(C)nc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000801177953	630431863	/nfs/dbraw/zinc/43/18/63/630431863.db2.gz	BLLJQRXHTDIWTE-UHFFFAOYSA-N	-1	0	267.288	2.528	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)co1	ZINC000802042288	630499547	/nfs/dbraw/zinc/49/95/47/630499547.db2.gz	COIBWHXQKRFUGU-GFCCVEGCSA-N	-1	0	297.314	2.588	20	30		CFEDRM
C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1	ZINC000836158816	630756193	/nfs/dbraw/zinc/75/61/93/630756193.db2.gz	YFWFUJXUUAKGSN-SWZMTVOYSA-N	-1	0	277.280	2.552	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cn3c(n2)CCCC3)cc1	ZINC000806564812	630813543	/nfs/dbraw/zinc/81/35/43/630813543.db2.gz	HFTNGKGGMDTMHK-RMKNXTFCSA-N	-1	0	296.326	2.814	20	30		CFEDRM
C#C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])C(C)(C)C	ZINC000807883865	630919156	/nfs/dbraw/zinc/91/91/56/630919156.db2.gz	GSIPVGUNFJWYTK-NSHDSACASA-N	-1	0	283.730	2.962	20	30		CFEDRM
C=CCO[N-]C(=O)Cc1cc(C(F)(F)F)cc(Cl)n1	ZINC000837047600	630945598	/nfs/dbraw/zinc/94/55/98/630945598.db2.gz	CEESFOLXGKWZAR-UHFFFAOYSA-N	-1	0	294.660	2.530	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1	ZINC000837046425	630945613	/nfs/dbraw/zinc/94/56/13/630945613.db2.gz	ILFFPHBBNFRTPE-UHFFFAOYSA-N	-1	0	285.265	2.971	20	30		CFEDRM
C[C@@H](CC(F)(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000837495635	631047711	/nfs/dbraw/zinc/04/77/11/631047711.db2.gz	CSXLMYMLJXCKQH-ZETCQYMHSA-N	-1	0	272.226	2.791	20	30		CFEDRM
CCCON=Cc1cccc(Br)c1[O-]	ZINC000842558078	631052662	/nfs/dbraw/zinc/05/26/62/631052662.db2.gz	UMOQHLMSKFNCAS-UHFFFAOYSA-N	-1	0	258.115	2.915	20	30		CFEDRM
CCCON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000842558500	631052891	/nfs/dbraw/zinc/05/28/91/631052891.db2.gz	XUJWNWJCSZXRKZ-UHFFFAOYSA-N	-1	0	251.282	2.753	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2s1	ZINC000808979873	631061882	/nfs/dbraw/zinc/06/18/82/631061882.db2.gz	OEHJLPODJIXBOX-LBPRGKRZSA-N	-1	0	298.367	2.834	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000042311822	649997400	/nfs/dbraw/zinc/99/74/00/649997400.db2.gz	FTSZZGZXRYPWOV-UHFFFAOYSA-N	-1	0	294.376	2.781	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccsc2)c1	ZINC000042313600	649997561	/nfs/dbraw/zinc/99/75/61/649997561.db2.gz	KKXUQORCODCQNT-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042243967	649996821	/nfs/dbraw/zinc/99/68/21/649996821.db2.gz	CMQNVWBJMSQNRW-UHFFFAOYSA-N	-1	0	261.368	2.830	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1	ZINC000042313655	649997655	/nfs/dbraw/zinc/99/76/55/649997655.db2.gz	VDGAJXINIGTSOS-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042320842	649997866	/nfs/dbraw/zinc/99/78/66/649997866.db2.gz	LAEXXUIZQDBQPN-CMDGGOBGSA-N	-1	0	265.334	2.910	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042320267	649998009	/nfs/dbraw/zinc/99/80/09/649998009.db2.gz	QASUXXILDNNHRP-HJWRWDBZSA-N	-1	0	267.350	2.990	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC1CCC(C(=O)[O-])CC1	ZINC000841505898	631418127	/nfs/dbraw/zinc/41/81/27/631418127.db2.gz	WOFKSWZZPTUYKK-UHFFFAOYSA-N	-1	0	286.331	2.816	20	30		CFEDRM
CO[C@@H](CN=Nc1ccccc1C(=O)[O-])CC(C)C	ZINC000841614803	631430894	/nfs/dbraw/zinc/43/08/94/631430894.db2.gz	RNDAIPYBWFUWPL-LLVKDONJSA-N	-1	0	264.325	2.844	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)CC1	ZINC000810985608	631491224	/nfs/dbraw/zinc/49/12/24/631491224.db2.gz	CFBAQPNIHSVTFZ-NSHDSACASA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(CCC)CCC2)CC1	ZINC000810982075	631491323	/nfs/dbraw/zinc/49/13/23/631491323.db2.gz	LCHRODPMHHTFTC-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
O=C([N-]Cc1cc(F)c(C(F)(F)F)cc1F)C(F)F	ZINC000811529573	631577461	/nfs/dbraw/zinc/57/74/61/631577461.db2.gz	UWUJFQROYRKPME-UHFFFAOYSA-N	-1	0	289.150	2.865	20	30		CFEDRM
C[C@H](Oc1ccc(C=NOC/C=C\Cl)cc1)C(=O)[O-]	ZINC000811668305	631603176	/nfs/dbraw/zinc/60/31/76/631603176.db2.gz	DMJHBZCWOKRUCV-DGGDVPPWSA-N	-1	0	283.711	2.642	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1ccc(CC(=O)[O-])cc1	ZINC000811670851	631604402	/nfs/dbraw/zinc/60/44/02/631604402.db2.gz	GNLWIIQFWPGUPN-CSRGVBMISA-N	-1	0	267.712	2.807	20	30		CFEDRM
COc1ccc(F)cc1C=NNc1cccc(C(=O)[O-])c1	ZINC000812221655	631669295	/nfs/dbraw/zinc/66/92/95/631669295.db2.gz	BQFRFIDXICHGQO-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
CC(C)(C)c1n[nH]cc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000812368803	631697394	/nfs/dbraw/zinc/69/73/94/631697394.db2.gz	AFNNAYZYOHOVSF-UHFFFAOYSA-N	-1	0	286.335	2.851	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ccccc2F)ccc1[O-]	ZINC000812459641	631721787	/nfs/dbraw/zinc/72/17/87/631721787.db2.gz	DKHKCSHBFSMWFD-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1cc(-c2cccs2)on1	ZINC000842825888	631753021	/nfs/dbraw/zinc/75/30/21/631753021.db2.gz	CLQQEMBZFAOOBM-UHFFFAOYSA-N	-1	0	296.373	2.558	20	30		CFEDRM
CO[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(C)C	ZINC000841481981	631921748	/nfs/dbraw/zinc/92/17/48/631921748.db2.gz	HRXXNIJOTHRJLZ-LIOBOASVSA-N	-1	0	280.324	2.780	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000813485350	631925152	/nfs/dbraw/zinc/92/51/52/631925152.db2.gz	NHWRQFWMXMGPFB-UHFFFAOYSA-N	-1	0	296.311	2.635	20	30		CFEDRM
O=C(C=Cc1cnn(CC(F)F)c1)c1sccc1[O-]	ZINC000814189535	632027949	/nfs/dbraw/zinc/02/79/49/632027949.db2.gz	FOXRDVFQEJDBCJ-OWOJBTEDSA-N	-1	0	284.287	2.811	20	30		CFEDRM
CCCCCCCCCC=Nn1c(=O)[n-][nH]c1=O	ZINC000814233385	632041721	/nfs/dbraw/zinc/04/17/21/632041721.db2.gz	NDSNOUHQTRYMMQ-UHFFFAOYSA-N	-1	0	254.334	2.664	20	30		CFEDRM
C[C@H](Oc1cccc(C=NOCCC2CC2)c1)C(=O)[O-]	ZINC000814245525	632044835	/nfs/dbraw/zinc/04/48/35/632044835.db2.gz	WJWRFIAZPANXSV-NSHDSACASA-N	-1	0	277.320	2.689	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(Cl)c(C)c1	ZINC000856027789	635703496	/nfs/dbraw/zinc/70/34/96/635703496.db2.gz	AOAZWCXDWJBSRX-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000814685265	632107637	/nfs/dbraw/zinc/10/76/37/632107637.db2.gz	FJYKPPAPUUNKFH-ONGXEEELSA-N	-1	0	291.307	2.884	20	30		CFEDRM
CO[C@@](C)(CN=Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000814687667	632108620	/nfs/dbraw/zinc/10/86/20/632108620.db2.gz	QFWCIKGKOKHVIW-AWEZNQCLSA-N	-1	0	262.309	2.598	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc[nH]n1	ZINC000814690037	632108632	/nfs/dbraw/zinc/10/86/32/632108632.db2.gz	RBZWDLUQRDAHET-UHFFFAOYSA-N	-1	0	278.699	2.597	20	30		CFEDRM
Cc1cccc(C=NNc2ccccc2C(=O)[O-])c1O	ZINC000814769411	632121096	/nfs/dbraw/zinc/12/10/96/632121096.db2.gz	ZUVPEHXYGQDPNW-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
CC(N=Nc1cnccn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814797873	632125936	/nfs/dbraw/zinc/12/59/36/632125936.db2.gz	XCHZWWHTJYBOPF-JTQLQIEISA-N	-1	0	264.329	2.546	20	30		CFEDRM
COc1ccnc(N=NC(C)CCCCCCC(=O)[O-])n1	ZINC000814798493	632126220	/nfs/dbraw/zinc/12/62/20/632126220.db2.gz	HEIPARHBJIJZFI-UHFFFAOYSA-N	-1	0	294.355	2.698	20	30		CFEDRM
Cc1c(Cl)cccc1N=NC1CC(C(=O)[O-])C1	ZINC000814801404	632126941	/nfs/dbraw/zinc/12/69/41/632126941.db2.gz	FLDAJGPVCNKGSV-UHFFFAOYSA-N	-1	0	252.701	2.911	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(F)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814809010	632130131	/nfs/dbraw/zinc/13/01/31/632130131.db2.gz	WPAYGGWEWWIJCI-MWLCHTKSSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cnc2ccccc2n1	ZINC000814830311	632133613	/nfs/dbraw/zinc/13/36/13/632133613.db2.gz	GVOSRRLITOFQGR-GHMZBOCLSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1CC(=NNCc2cc(F)ccc2F)CC[C@H]1C(=O)[O-]	ZINC000814872786	632144836	/nfs/dbraw/zinc/14/48/36/632144836.db2.gz	YLTBTJKRHXORAI-TVQRCGJNSA-N	-1	0	296.317	2.931	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNC[C@@H](C)C#N	ZINC000814881201	632146563	/nfs/dbraw/zinc/14/65/63/632146563.db2.gz	LAWQXJMEZKUTSJ-NSHDSACASA-N	-1	0	253.346	2.537	20	30		CFEDRM
CC(C)(C)OC(=O)CCNN=Cc1cccc(O)c1Cl	ZINC000814901669	632156023	/nfs/dbraw/zinc/15/60/23/632156023.db2.gz	UBJKSBUPUNFIIG-UHFFFAOYSA-N	-1	0	298.770	2.701	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCC(F)(F)F)c1Cl	ZINC000814904704	632157283	/nfs/dbraw/zinc/15/72/83/632157283.db2.gz	VLDMRFJMGXGMHX-UHFFFAOYSA-N	-1	0	280.633	2.524	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NNCC(F)(F)F	ZINC000814904678	632157621	/nfs/dbraw/zinc/15/76/21/632157621.db2.gz	UJXMSXBLZFILBK-UHFFFAOYSA-N	-1	0	286.253	2.577	20	30		CFEDRM
O=C([O-])c1cccc(C=NOC2CCOCC2)c1Cl	ZINC000814906188	632158382	/nfs/dbraw/zinc/15/83/82/632158382.db2.gz	KCFMQPAUBCQUFA-UHFFFAOYSA-N	-1	0	283.711	2.568	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814911312	632161047	/nfs/dbraw/zinc/16/10/47/632161047.db2.gz	ATDPJLSHIOPADA-JQWIXIFHSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CSCCON=C1CCCc2cc(C(=O)[O-])ccc21	ZINC000814921931	632165998	/nfs/dbraw/zinc/16/59/98/632165998.db2.gz	KSHQXMFHYIKBRK-UHFFFAOYSA-N	-1	0	279.361	2.805	20	30		CFEDRM
CSCCON=Cc1cc(C(=O)[O-])c(C)cc1C	ZINC000814922072	632166045	/nfs/dbraw/zinc/16/60/45/632166045.db2.gz	SAFBPSCCOKLMFG-UHFFFAOYSA-N	-1	0	267.350	2.715	20	30		CFEDRM
CC(N=Nc1cncnc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814926866	632167719	/nfs/dbraw/zinc/16/77/19/632167719.db2.gz	NRBPNCVUCRKYJA-SNVBAGLBSA-N	-1	0	264.329	2.546	20	30		CFEDRM
CC(=NNC[C@H]1CCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814934504	632172833	/nfs/dbraw/zinc/17/28/33/632172833.db2.gz	AHUNQIZXBQXBEO-WCQYABFASA-N	-1	0	286.441	2.986	20	30		CFEDRM
C[C@@H]1C(=NNC[C@H]2CCSC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814935880	632173378	/nfs/dbraw/zinc/17/33/78/632173378.db2.gz	SHXGPQUBVYRLAU-UTUOFQBUSA-N	-1	0	298.452	2.842	20	30		CFEDRM
CC(C)OCCON=C1CCCc2cc(C(=O)[O-])ccc21	ZINC000814936729	632173382	/nfs/dbraw/zinc/17/33/82/632173382.db2.gz	HEENBDZMXPMJPR-UHFFFAOYSA-N	-1	0	291.347	2.867	20	30		CFEDRM
CC(=NOC1CCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814936680	632173470	/nfs/dbraw/zinc/17/34/70/632173470.db2.gz	FZFDASASQINZSG-NSHDSACASA-N	-1	0	277.320	2.832	20	30		CFEDRM
CC(=NOC1CCC1)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814936679	632173745	/nfs/dbraw/zinc/17/37/45/632173745.db2.gz	FZFDASASQINZSG-LLVKDONJSA-N	-1	0	277.320	2.832	20	30		CFEDRM
CC[C@@H](NN=C1CCCCC12CCCC2)C(=O)[O-]	ZINC000814937123	632174517	/nfs/dbraw/zinc/17/45/17/632174517.db2.gz	VSWWIQOKNDCPAQ-LLVKDONJSA-N	-1	0	252.358	2.930	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(Sc2ccccc2)cc1	ZINC000814958984	632179668	/nfs/dbraw/zinc/17/96/68/632179668.db2.gz	DUXYPBWPFHVGTJ-UHFFFAOYSA-N	-1	0	286.356	2.846	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000814958137	632180100	/nfs/dbraw/zinc/18/01/00/632180100.db2.gz	ADGYQJNFSBMGJE-UHFFFAOYSA-N	-1	0	268.316	2.752	20	30		CFEDRM
O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccccc1[O-]	ZINC000156602231	650057703	/nfs/dbraw/zinc/05/77/03/650057703.db2.gz	QROUIKADSDHBGC-JXMROGBWSA-N	-1	0	291.310	2.869	20	30		CFEDRM
C=C(C)CON=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000844618930	632264949	/nfs/dbraw/zinc/26/49/49/632264949.db2.gz	NZRZRAOUIVRFBN-UHFFFAOYSA-N	-1	0	250.254	2.617	20	30		CFEDRM
CCC[C@H](CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844622219	632265855	/nfs/dbraw/zinc/26/58/55/632265855.db2.gz	AESGDMCZFZQJIB-LLVKDONJSA-N	-1	0	264.325	2.906	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844621972	632266209	/nfs/dbraw/zinc/26/62/09/632266209.db2.gz	RCRKLUDTDAJVMO-QMMMGPOBSA-N	-1	0	250.254	2.616	20	30		CFEDRM
Cc1c(NN=C2CCCc3nn(C)cc32)cccc1C(=O)[O-]	ZINC000844622663	632266789	/nfs/dbraw/zinc/26/67/89/632266789.db2.gz	IAROXWARHQXCQZ-UHFFFAOYSA-N	-1	0	298.346	2.579	20	30		CFEDRM
Cc1c(N=NC2CCO[C@@H](C)C2)cccc1C(=O)[O-]	ZINC000844623051	632266959	/nfs/dbraw/zinc/26/69/59/632266959.db2.gz	HIPDCRVECCVPMV-VIFPVBQESA-N	-1	0	262.309	2.660	20	30		CFEDRM
Cc1c(NN=Cc2cncn2C(C)C)cccc1C(=O)[O-]	ZINC000844624397	632267527	/nfs/dbraw/zinc/26/75/27/632267527.db2.gz	XLLOASLQKIRDEA-UHFFFAOYSA-N	-1	0	286.335	2.917	20	30		CFEDRM
CCn1cc(C(C)=NNc2cccc(C(=O)[O-])c2C)cn1	ZINC000844623841	632267717	/nfs/dbraw/zinc/26/77/17/632267717.db2.gz	NFRUYBYWYWKNJV-UHFFFAOYSA-N	-1	0	286.335	2.746	20	30		CFEDRM
CO[C@@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844625343	632268511	/nfs/dbraw/zinc/26/85/11/632268511.db2.gz	ZJAJPKNUBKIQKR-JTQLQIEISA-N	-1	0	250.298	2.516	20	30		CFEDRM
CC[C@@H](C#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000845821163	632575224	/nfs/dbraw/zinc/57/52/24/632575224.db2.gz	MULWUESMRJCYML-ZETCQYMHSA-N	-1	0	261.306	2.605	20	30		CFEDRM
CC[C@@H](NN=C(C)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000817328747	632604139	/nfs/dbraw/zinc/60/41/39/632604139.db2.gz	MVGBTVAFHSLJGU-GFCCVEGCSA-N	-1	0	286.734	2.850	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(CCCC)cc1	ZINC000846151815	632649018	/nfs/dbraw/zinc/64/90/18/632649018.db2.gz	HPNZROZBUVYWBJ-LBPRGKRZSA-N	-1	0	290.363	2.590	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1	ZINC000817555711	632661198	/nfs/dbraw/zinc/66/11/98/632661198.db2.gz	OIPFPAIJCUHYIK-TUAOUCFPSA-N	-1	0	256.305	2.639	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ncc(-c2ccccc2C)o1	ZINC000846263263	632676796	/nfs/dbraw/zinc/67/67/96/632676796.db2.gz	HZCMTGPXFHUMNY-UHFFFAOYSA-N	-1	0	286.331	2.723	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1c(C)cccc1Cl	ZINC000846263818	632677204	/nfs/dbraw/zinc/67/72/04/632677204.db2.gz	XTEVFJGLQNSIHW-UHFFFAOYSA-N	-1	0	253.729	2.721	20	30		CFEDRM
CC[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000817706840	632687956	/nfs/dbraw/zinc/68/79/56/632687956.db2.gz	FETUPMOELTXQNZ-VBTYFWCOSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	ZINC000846535705	632725138	/nfs/dbraw/zinc/72/51/38/632725138.db2.gz	LAMWSYAIFZHPHT-UHFFFAOYSA-N	-1	0	296.298	2.635	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)OC1CCCCC1	ZINC000846535821	632725193	/nfs/dbraw/zinc/72/51/93/632725193.db2.gz	DUBZDICJGGUAKV-CYBMUJFWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)Oc1ccc(OCC)cc1	ZINC000846538243	632727521	/nfs/dbraw/zinc/72/75/21/632727521.db2.gz	SFILQNWMHJMWHD-UHFFFAOYSA-N	-1	0	293.363	2.867	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1c(Cl)cccc1Cl	ZINC000846540604	632729434	/nfs/dbraw/zinc/72/94/34/632729434.db2.gz	CRMPKDLVXIGEIZ-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(F)c(F)c1	ZINC000846540536	632729567	/nfs/dbraw/zinc/72/95/67/632729567.db2.gz	ZZTIDEMHDLRLJV-UHFFFAOYSA-N	-1	0	273.304	2.681	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CNc1cccc(C(F)(F)F)c1	ZINC000846546902	632735158	/nfs/dbraw/zinc/73/51/58/632735158.db2.gz	ZYNRBKBGOIWVFE-VIFPVBQESA-N	-1	0	288.269	2.740	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1c(F)cccc1F	ZINC000846546942	632735299	/nfs/dbraw/zinc/73/52/99/632735299.db2.gz	HEBUHFIFDRQALN-BDAKNGLRSA-N	-1	0	255.264	2.691	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CN(CC)Cc1ccccc1Cl	ZINC000846552886	632740931	/nfs/dbraw/zinc/74/09/31/632740931.db2.gz	SDAMXZDWAJLMJV-GFCCVEGCSA-N	-1	0	296.798	2.784	20	30		CFEDRM
COCC1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000846757283	632787783	/nfs/dbraw/zinc/78/77/83/632787783.db2.gz	WWLTTWXDSJJINY-UUASQNMZSA-N	-1	0	298.726	2.799	20	30		CFEDRM
COCC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000846757282	632787954	/nfs/dbraw/zinc/78/79/54/632787954.db2.gz	WWLTTWXDSJJINY-GIDUJCDVSA-N	-1	0	298.726	2.799	20	30		CFEDRM
O=C([N-]Cc1c(F)cc(F)cc1F)C(F)(F)C(F)F	ZINC000818521602	632857381	/nfs/dbraw/zinc/85/73/81/632857381.db2.gz	OIRWBZWGTBNJAG-UHFFFAOYSA-N	-1	0	289.150	2.621	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21	ZINC000848245250	633222868	/nfs/dbraw/zinc/22/28/68/633222868.db2.gz	JTHOGARNWDWGHL-SMDDNHRTSA-N	-1	0	275.348	2.737	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000848285777	633233525	/nfs/dbraw/zinc/23/35/25/633233525.db2.gz	XWSMRWQZFFZFOC-JTQLQIEISA-N	-1	0	286.356	2.602	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)CC(C)C	ZINC000848414035	633252541	/nfs/dbraw/zinc/25/25/41/633252541.db2.gz	HZDDBXKDKNXQIE-AWEZNQCLSA-N	-1	0	278.352	2.773	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NCCCC2CCOCC2)cc1	ZINC000848413642	633252716	/nfs/dbraw/zinc/25/27/16/633252716.db2.gz	BAMHIHBUXNNUFI-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C(F)(F)F	ZINC000848415351	633253382	/nfs/dbraw/zinc/25/33/82/633253382.db2.gz	ZSMNIOIZDIVGBT-UHFFFAOYSA-N	-1	0	260.215	2.664	20	30		CFEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCOC1	ZINC000848415781	633253503	/nfs/dbraw/zinc/25/35/03/633253503.db2.gz	PWFCAGNFMNSIBQ-LBPRGKRZSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848415135	633253532	/nfs/dbraw/zinc/25/35/32/633253532.db2.gz	XGFNBGNVVKSPOF-HNNXBMFYSA-N	-1	0	290.363	2.917	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CC[C@@H]2C2CC2)cc1	ZINC000848414804	633253551	/nfs/dbraw/zinc/25/35/51/633253551.db2.gz	RVSKOEGNBIZLHL-CYBMUJFWSA-N	-1	0	258.321	2.902	20	30		CFEDRM
CCCCCCCC(=O)N(CC(=O)[O-])C1CCC1	ZINC000848456090	633261682	/nfs/dbraw/zinc/26/16/82/633261682.db2.gz	ABKIUHZDBYTTDM-UHFFFAOYSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C=CCN(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	ZINC000848595193	633297863	/nfs/dbraw/zinc/29/78/63/633297863.db2.gz	DXDSUAQVTPOXTG-RWMBFGLXSA-N	-1	0	296.411	2.728	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccnn2CC2CC2)c([O-])c1	ZINC000849246357	633589686	/nfs/dbraw/zinc/58/96/86/633589686.db2.gz	HOJDSULQVVHMNU-DAXSKMNVSA-N	-1	0	298.342	2.903	20	30		CFEDRM
N#CCC1(COC(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000849626592	633644646	/nfs/dbraw/zinc/64/46/46/633644646.db2.gz	CPODHGMANSUVQI-UHFFFAOYSA-N	-1	0	265.696	2.896	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCC1CCSCC1	ZINC000853281282	634958169	/nfs/dbraw/zinc/95/81/69/634958169.db2.gz	XWCZEIOUSRTXHV-UHFFFAOYSA-N	-1	0	264.350	2.926	20	30		CFEDRM
CCC(CC)NN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853308860	634964664	/nfs/dbraw/zinc/96/46/64/634964664.db2.gz	YUCVXZZDPWJPGB-UHFFFAOYSA-N	-1	0	252.289	2.636	20	30		CFEDRM
CCc1cccc2cc(C=NN[C@@H](CC)C(=O)[O-])oc21	ZINC000853348276	634979730	/nfs/dbraw/zinc/97/97/30/634979730.db2.gz	FSOPSGLGZNARHA-ZDUSSCGKSA-N	-1	0	274.320	2.782	20	30		CFEDRM
COC1(C(C)N=Nc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000853355319	634982237	/nfs/dbraw/zinc/98/22/37/634982237.db2.gz	LCNRUCVZFDHSNB-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@@H]1CC(=NN2CCCC[C@@H]2C)CC[C@@H]1C(=O)[O-]	ZINC000853382042	634988934	/nfs/dbraw/zinc/98/89/34/634988934.db2.gz	REQKIXYALZUGHE-MDZLAQPJSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@H](Oc1ccc(C=NN2CCCC[C@@H]2C)cc1)C(=O)[O-]	ZINC000853382276	634988949	/nfs/dbraw/zinc/98/89/49/634988949.db2.gz	WRAYJLIOKUPUKE-STQMWFEESA-N	-1	0	290.363	2.747	20	30		CFEDRM
C=CCCONC(=O)CCSc1ccccc1	ZINC000856028532	635702174	/nfs/dbraw/zinc/70/21/74/635702174.db2.gz	WAHLREFKAXZOQW-UHFFFAOYSA-N	-1	0	251.351	2.793	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000856030359	635705486	/nfs/dbraw/zinc/70/54/86/635705486.db2.gz	DIBXACAUBVYEAU-OAHLLOKOSA-N	-1	0	288.347	2.586	20	30		CFEDRM
C=CCCO[N-]C(=O)CNc1cccc(C(F)(F)F)c1	ZINC000856031207	635706184	/nfs/dbraw/zinc/70/61/84/635706184.db2.gz	HYIBJOANXUXJIW-UHFFFAOYSA-N	-1	0	288.269	2.741	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)OC1CCCCCC1	ZINC000856032771	635708094	/nfs/dbraw/zinc/70/80/94/635708094.db2.gz	PXLKCHBNGSYZFN-LBPRGKRZSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1CCc2c1cccc2Cl	ZINC000856034068	635709058	/nfs/dbraw/zinc/70/90/58/635709058.db2.gz	FOLLWURYRBTJII-GFCCVEGCSA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000856034082	635709381	/nfs/dbraw/zinc/70/93/81/635709381.db2.gz	GBLFUCKJVVBEOM-NSHDSACASA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(\C)c1cccs1)C(=O)[O-]	ZINC000856926230	635886196	/nfs/dbraw/zinc/88/61/96/635886196.db2.gz	RMOPXCZKLDDAFN-USKTWTLRSA-N	-1	0	279.361	2.687	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ncc(Cl)cn1	ZINC000857220304	635949702	/nfs/dbraw/zinc/94/97/02/635949702.db2.gz	FLGBHVWUVHZXBG-UHFFFAOYSA-N	-1	0	282.731	2.563	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048454345	650267081	/nfs/dbraw/zinc/26/70/81/650267081.db2.gz	JFGQFDCQMJPDPY-QMMMGPOBSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000048474515	650268628	/nfs/dbraw/zinc/26/86/28/650268628.db2.gz	AQAKENSXJJUYND-SNVBAGLBSA-N	-1	0	287.406	2.700	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)s1	ZINC000048505821	650269293	/nfs/dbraw/zinc/26/92/93/650269293.db2.gz	LMDYEZNSFWYGGD-UHFFFAOYSA-N	-1	0	281.786	2.836	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)cc1	ZINC000048519014	650269755	/nfs/dbraw/zinc/26/97/55/650269755.db2.gz	NHQDZPLFQCHTSL-NSHDSACASA-N	-1	0	295.360	2.697	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000048519764	650270051	/nfs/dbraw/zinc/27/00/51/650270051.db2.gz	SHCPPRIXYITVFI-QMTHXVAHSA-N	-1	0	293.388	2.867	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2CCCOC2)c1[O-]	ZINC000048627857	650273564	/nfs/dbraw/zinc/27/35/64/650273564.db2.gz	QJZISEUUOCIQAU-HXBVQPGFSA-N	-1	0	298.726	2.799	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)C(C)(C)c1ccc(C#N)cc1	ZINC000861809432	637239555	/nfs/dbraw/zinc/23/95/55/637239555.db2.gz	RLLYNUJFYKZVEQ-LBPRGKRZSA-N	-1	0	274.364	2.930	20	30		CFEDRM
CCCO[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862103314	637274469	/nfs/dbraw/zinc/27/44/69/637274469.db2.gz	HQAVHTYOERBPPV-UHFFFAOYSA-N	-1	0	272.348	2.828	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)OCc1ccccc1C	ZINC000862133420	637278879	/nfs/dbraw/zinc/27/88/79/637278879.db2.gz	ZQGCZGMYJHKAFZ-OLZOCXBDSA-N	-1	0	263.337	2.522	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC12CC2	ZINC000863106233	637556502	/nfs/dbraw/zinc/55/65/02/637556502.db2.gz	RHBRTBAAZBXBMA-JTQLQIEISA-N	-1	0	260.293	2.591	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCCCO1	ZINC000863125991	637566131	/nfs/dbraw/zinc/56/61/31/637566131.db2.gz	CSRQLFUYWMUWOR-CQSZACIVSA-N	-1	0	276.336	2.671	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1	ZINC000864156198	637895473	/nfs/dbraw/zinc/89/54/73/637895473.db2.gz	MWQAQKYLHQQBMU-ZVTBTPLYSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000864166777	637899865	/nfs/dbraw/zinc/89/98/65/637899865.db2.gz	TUNNIHUNKJTAJQ-SWLSCSKDSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864179427	637905020	/nfs/dbraw/zinc/90/50/20/637905020.db2.gz	VFANKBQEFDANSJ-MXMFLMJRSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C)ccc1C)C(=O)[O-]	ZINC000864182122	637906633	/nfs/dbraw/zinc/90/66/33/637906633.db2.gz	JKPIHYOUZQPMPZ-LBPRGKRZSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864183095	637906688	/nfs/dbraw/zinc/90/66/88/637906688.db2.gz	QPYZYJCWZRFEOB-GFCCVEGCSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000864182626	637906789	/nfs/dbraw/zinc/90/67/89/637906789.db2.gz	BQCFMLAYKBLBNN-KRZKBDHCSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000864183783	637906851	/nfs/dbraw/zinc/90/68/51/637906851.db2.gz	MLROFUIVXMPTSK-DLOVCJGASA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1sccc1CC)C(=O)[O-]	ZINC000864185363	637907177	/nfs/dbraw/zinc/90/71/77/637907177.db2.gz	VVTVGUZBZFWKPG-SECBINFHSA-N	-1	0	287.768	2.636	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000864184623	637907248	/nfs/dbraw/zinc/90/72/48/637907248.db2.gz	PDALYEFJUBCEHF-ZDUSSCGKSA-N	-1	0	295.766	2.965	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000864185692	637907412	/nfs/dbraw/zinc/90/74/12/637907412.db2.gz	ZRWWLIHXPHQKEC-SNVBAGLBSA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000864184147	637907673	/nfs/dbraw/zinc/90/76/73/637907673.db2.gz	OCGUMVJATGXFHA-WCQGTBRESA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)c1ccccc1)C(=O)[O-]	ZINC000864187259	637908347	/nfs/dbraw/zinc/90/83/47/637908347.db2.gz	HQIWBBZWYAUWSS-WONIAPNHSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc2c1CCC2)C(=O)[O-]	ZINC000864186607	637908355	/nfs/dbraw/zinc/90/83/55/637908355.db2.gz	SVFSVCVZQSACSY-CYBMUJFWSA-N	-1	0	293.750	2.501	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccccc1CC)C(=O)[O-]	ZINC000864186239	637908728	/nfs/dbraw/zinc/90/87/28/637908728.db2.gz	LIJPZELBYBEKJE-GFCCVEGCSA-N	-1	0	281.739	2.575	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccccc1CC)C(=O)[O-]	ZINC000864186500	637908743	/nfs/dbraw/zinc/90/87/43/637908743.db2.gz	QXJUPUABPKEXDN-ZDUSSCGKSA-N	-1	0	295.766	2.504	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)c1ccc(F)cc1)C(=O)[O-]	ZINC000864187827	637909411	/nfs/dbraw/zinc/90/94/11/637909411.db2.gz	PGVAWHKXGYMJAR-CFRMROPGSA-N	-1	0	291.322	2.765	20	30		CFEDRM
CO[C@H]1C[C@@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000864345548	637945798	/nfs/dbraw/zinc/94/57/98/637945798.db2.gz	ABEASCWQLZCSLR-KQAZXTNESA-N	-1	0	298.726	2.798	20	30		CFEDRM
C=C(C)C[C@H](NCc1nc2c(s1)CCCC2)C(=O)[O-]	ZINC000864529574	638013785	/nfs/dbraw/zinc/01/37/85/638013785.db2.gz	JYMHREOQAASVPQ-NSHDSACASA-N	-1	0	280.393	2.531	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000076807610	650404486	/nfs/dbraw/zinc/40/44/86/650404486.db2.gz	WMSPUDUGUSSILC-GFCCVEGCSA-N	-1	0	298.408	2.756	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](c1cccnc1)C1CCCCC1	ZINC000868763328	638976545	/nfs/dbraw/zinc/97/65/45/638976545.db2.gz	IJQOJYKHGQJDJG-HNNXBMFYSA-N	-1	0	274.364	2.979	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1sc(C)cc1C	ZINC000870135005	639527581	/nfs/dbraw/zinc/52/75/81/639527581.db2.gz	RDZRPFATDAINSJ-GFCCVEGCSA-N	-1	0	292.404	2.994	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)s1	ZINC000870143461	639529262	/nfs/dbraw/zinc/52/92/62/639529262.db2.gz	SZONMNPDPNLVCB-NSHDSACASA-N	-1	0	278.377	2.548	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CC23CCSCC3)c1	ZINC000870690046	639772422	/nfs/dbraw/zinc/77/24/22/639772422.db2.gz	HTXYUMWQTIQRJE-CYBMUJFWSA-N	-1	0	288.372	2.502	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C(F)=C2CCCC2)c1	ZINC000870691853	639774966	/nfs/dbraw/zinc/77/49/66/639774966.db2.gz	SEDHTXWWYITEMT-UHFFFAOYSA-N	-1	0	260.268	2.766	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCC2(C)C)CC1	ZINC000870833374	641091349	/nfs/dbraw/zinc/09/13/49/641091349.db2.gz	CGRCSVFHYNWRFO-GFCCVEGCSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)CC2CCCC2)CC1	ZINC000870833759	641091771	/nfs/dbraw/zinc/09/17/71/641091771.db2.gz	BZLCXNJENZQLKX-ZDUSSCGKSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2CCC(C)(C)CC2)CC1	ZINC000870834292	641091822	/nfs/dbraw/zinc/09/18/22/641091822.db2.gz	UOQDUIOYPZBJMO-UHFFFAOYSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCCC(C)C)CC1	ZINC000870835049	641091896	/nfs/dbraw/zinc/09/18/96/641091896.db2.gz	ZLAUOQLMOSOTBD-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)[N-]OCCCC(F)(F)F	ZINC000871215179	641251564	/nfs/dbraw/zinc/25/15/64/641251564.db2.gz	RIWBNCMPEXVWJA-JTQLQIEISA-N	-1	0	253.264	2.979	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCCCC(F)(F)F)CC12CCCC2	ZINC000871215596	641252149	/nfs/dbraw/zinc/25/21/49/641252149.db2.gz	CCEKPYYRFVVARM-GFCCVEGCSA-N	-1	0	290.285	2.851	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)s1	ZINC000193367835	650647510	/nfs/dbraw/zinc/64/75/10/650647510.db2.gz	RZGCBVINBTXUCF-NSHDSACASA-N	-1	0	278.377	2.685	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000193367617	650647665	/nfs/dbraw/zinc/64/76/65/650647665.db2.gz	PZVUQQDCWBZBBR-CYBMUJFWSA-N	-1	0	292.766	2.969	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Cl)c1	ZINC000193367911	650647675	/nfs/dbraw/zinc/64/76/75/650647675.db2.gz	WXEJQFYBUGMZRK-CYBMUJFWSA-N	-1	0	292.766	2.969	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1	ZINC000871597530	641362955	/nfs/dbraw/zinc/36/29/55/641362955.db2.gz	RZLIQDIGOCYFKG-BQINTAKRSA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=CCNc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1	ZINC000871849913	641480908	/nfs/dbraw/zinc/48/09/08/641480908.db2.gz	UUBXQQCOAQLQPI-UHFFFAOYSA-N	-1	0	276.233	2.602	20	30		CFEDRM
C=CCCNc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1	ZINC000871849901	641481434	/nfs/dbraw/zinc/48/14/34/641481434.db2.gz	UIDLHLIUOWSKMJ-UHFFFAOYSA-N	-1	0	290.260	2.992	20	30		CFEDRM
CC[C@@H](C)c1cc(=O)n(-c2cc(C#N)cc(Cl)n2)[n-]1	ZINC000871953956	641527551	/nfs/dbraw/zinc/52/75/51/641527551.db2.gz	AYHRMBWGPQLZHA-MRVPVSSYSA-N	-1	0	276.727	2.745	20	30		CFEDRM
C=C(Cl)CN1CCc2c(C(=O)[O-])ccc(OC)c2C1	ZINC000872166714	641686691	/nfs/dbraw/zinc/68/66/91/641686691.db2.gz	OKZLATXAZBYPQZ-UHFFFAOYSA-N	-1	0	281.739	2.504	20	30		CFEDRM
O=c1[n-]c(N=NC2CC[C@@H]3C[C@@H]32)nc2ccccc21	ZINC000872356563	641764904	/nfs/dbraw/zinc/76/49/04/641764904.db2.gz	SLBDBQVKOCLQSV-SCZZXKLOSA-N	-1	0	254.293	2.533	20	30		CFEDRM
C=CCC1(CN=Nc2ccc(C(=O)[O-])cn2)CCOCC1	ZINC000872360864	641767858	/nfs/dbraw/zinc/76/78/58/641767858.db2.gz	VAQXSDODDMANRP-UHFFFAOYSA-N	-1	0	289.335	2.550	20	30		CFEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000872379671	641782991	/nfs/dbraw/zinc/78/29/91/641782991.db2.gz	HFXAXPQRJYMOFY-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNC[C@H]1CCCC1(F)F	ZINC000872407988	641797167	/nfs/dbraw/zinc/79/71/67/641797167.db2.gz	JDOVQASLWUNZMG-LLVKDONJSA-N	-1	0	282.290	2.744	20	30		CFEDRM
C#CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCCCC1	ZINC000872914282	641962424	/nfs/dbraw/zinc/96/24/24/641962424.db2.gz	DMBKSRNUMWNIKM-CABCVRRESA-N	-1	0	291.391	2.672	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nc(C)cc(C)n1	ZINC000194806600	650729387	/nfs/dbraw/zinc/72/93/87/650729387.db2.gz	CPEKNMFITOKGJX-UHFFFAOYSA-N	-1	0	285.413	2.806	20	30		CFEDRM
CC(C)CCOCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000194853447	650731386	/nfs/dbraw/zinc/73/13/86/650731386.db2.gz	YYRCMSCNQDQUCL-XNTDXEJSSA-N	-1	0	280.324	2.782	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2coc(C(C)(C)C)n2)nc(C)n1	ZINC000873498288	642224484	/nfs/dbraw/zinc/22/44/84/642224484.db2.gz	UJWOQHRUSNYIOF-NSHDSACASA-N	-1	0	298.346	2.869	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000874420824	642381911	/nfs/dbraw/zinc/38/19/11/642381911.db2.gz	UEQYZSSNAWNDHH-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000874420827	642382107	/nfs/dbraw/zinc/38/21/07/642382107.db2.gz	UEQYZSSNAWNDHH-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000874861036	642532324	/nfs/dbraw/zinc/53/23/24/642532324.db2.gz	CNPWMZSNJBTBAT-HOMQSWHASA-N	-1	0	279.286	2.592	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)c(F)c2)ccc1CC(=O)[O-]	ZINC000874973675	642570092	/nfs/dbraw/zinc/57/00/92/642570092.db2.gz	RLTJAXVZQHHBBT-UHFFFAOYSA-N	-1	0	283.258	2.804	20	30		CFEDRM
C#Cc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1	ZINC000083883152	650769805	/nfs/dbraw/zinc/76/98/05/650769805.db2.gz	VSJGZYKOMIJOOQ-CQSZACIVSA-N	-1	0	286.331	2.529	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CC1	ZINC000888677970	642692553	/nfs/dbraw/zinc/69/25/53/642692553.db2.gz	JBZQSYBSGDMEEJ-UHFFFAOYSA-N	-1	0	299.330	2.715	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(C)c1	ZINC000086055446	650794877	/nfs/dbraw/zinc/79/48/77/650794877.db2.gz	GOHDXEBJSKJAIY-UHFFFAOYSA-N	-1	0	281.377	2.880	20	30		CFEDRM
Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086056567	650795320	/nfs/dbraw/zinc/79/53/20/650795320.db2.gz	HOSKTKYCKRRJNX-UHFFFAOYSA-N	-1	0	281.377	2.880	20	30		CFEDRM
C=CCN(CCC#N)Cc1ccc(F)c(F)c1[O-]	ZINC000877546116	643348088	/nfs/dbraw/zinc/34/80/88/643348088.db2.gz	OOZWTSQAHJGQOP-UHFFFAOYSA-N	-1	0	252.264	2.572	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000089963780	650860523	/nfs/dbraw/zinc/86/05/23/650860523.db2.gz	KSLPMLHQPDLGNQ-ONNFQVAWSA-N	-1	0	283.349	2.697	20	30		CFEDRM
Cc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000091696027	650905641	/nfs/dbraw/zinc/90/56/41/650905641.db2.gz	MHAQJSBFBOCDQC-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127880840	644354922	/nfs/dbraw/zinc/35/49/22/644354922.db2.gz	CTWUHUNMRUXWAZ-HNNXBMFYSA-N	-1	0	296.326	2.794	20	30		CFEDRM
Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C(C)(C)C)n1	ZINC000092814962	650925812	/nfs/dbraw/zinc/92/58/12/650925812.db2.gz	QJJFXPJCSNMEPY-UHFFFAOYSA-N	-1	0	298.346	2.547	20	30		CFEDRM
N#Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000094592465	650959265	/nfs/dbraw/zinc/95/92/65/650959265.db2.gz	ZWEDFLPCBFRNBY-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
C#CCC1(NC(=O)c2ccc3oc(=S)[n-]c3c2)CCC1	ZINC000886798319	647141736	/nfs/dbraw/zinc/14/17/36/647141736.db2.gz	XRCRUTPTHCZQMI-UHFFFAOYSA-N	-1	0	286.356	2.792	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCC3(COC3)CC2)c1	ZINC000887270054	647256688	/nfs/dbraw/zinc/25/66/88/647256688.db2.gz	GUJIBPONKFHYQM-LZYBPNLTSA-N	-1	0	290.319	2.679	20	30		CFEDRM
C=C1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1	ZINC000887327140	647273178	/nfs/dbraw/zinc/27/31/78/647273178.db2.gz	YHUNTJQFUUFINY-UHFFFAOYSA-N	-1	0	265.353	2.637	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000109626241	647820465	/nfs/dbraw/zinc/82/04/65/647820465.db2.gz	MLUATTYLZXIXMC-QWHCGFSZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
Cc1nnc(NN=C2CCCC[C@H]2c2ccccc2)[n-]c1=O	ZINC000007809879	647868970	/nfs/dbraw/zinc/86/89/70/647868970.db2.gz	GPSRMURIMJHJNB-ZDUSSCGKSA-N	-1	0	297.362	2.599	20	30		CFEDRM
C#CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C(C)C	ZINC000928622940	648937055	/nfs/dbraw/zinc/93/70/55/648937055.db2.gz	FQGVFMGLRGPWNN-UHFFFAOYSA-N	-1	0	285.265	2.895	20	30		CFEDRM
N#CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C(F)(F)F	ZINC000928815666	648960063	/nfs/dbraw/zinc/96/00/63/648960063.db2.gz	SQUYFSPBRONNCA-SECBINFHSA-N	-1	0	292.644	2.620	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034631	648974500	/nfs/dbraw/zinc/97/45/00/648974500.db2.gz	QXEHIKNPQYPSSQ-GXSJLCMTSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000931625904	649465742	/nfs/dbraw/zinc/46/57/42/649465742.db2.gz	KHUQEOZZHJQUGD-JTQLQIEISA-N	-1	0	287.319	2.571	20	30		CFEDRM
Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)cc1	ZINC000254289265	651083102	/nfs/dbraw/zinc/08/31/02/651083102.db2.gz	GTIFTJLMNRGJIQ-UHFFFAOYSA-N	-1	0	286.316	2.788	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000254856599	651096736	/nfs/dbraw/zinc/09/67/36/651096736.db2.gz	SNZXXONMLGADKF-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
COc1nc(-c2cc(F)cc(F)c2[O-])ccc1C#N	ZINC001243501047	782236676	/nfs/dbraw/zinc/23/66/76/782236676.db2.gz	XPVBZPZFTOUSSE-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(F)cc(F)c1[O-]	ZINC001243501028	782237249	/nfs/dbraw/zinc/23/72/49/782237249.db2.gz	XDLAQZVIIVULGV-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#CCc1ccnc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243511532	782247337	/nfs/dbraw/zinc/24/73/37/782247337.db2.gz	FNRWLDRKIXKTCB-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1ccncc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243516238	782250570	/nfs/dbraw/zinc/25/05/70/782250570.db2.gz	RZZZWGDUTKWDEV-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243515066	782249387	/nfs/dbraw/zinc/24/93/87/782249387.db2.gz	QKFZHHOUEPQCDS-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1cc(-c2cc(F)c([O-])cc2F)cnc1F	ZINC001211353586	770489140	/nfs/dbraw/zinc/48/91/40/770489140.db2.gz	XXHPCDTXLQYUIL-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
CCCCCCCCCCCOC(=O)[C@@H](O)CC(=O)[O-]	ZINC001224752205	778665442	/nfs/dbraw/zinc/66/54/42/778665442.db2.gz	JKIMXTSDYSJAAQ-ZDUSSCGKSA-N	-1	0	288.384	2.896	20	30		CFEDRM
Cc1cc([N-]c2nnc(Br)s2)cnc1C#N	ZINC001210201493	770231340	/nfs/dbraw/zinc/23/13/40/770231340.db2.gz	ULVRVGHWJHGSSJ-UHFFFAOYSA-N	-1	0	296.153	2.619	20	30		CFEDRM
C#CC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000692317615	770580659	/nfs/dbraw/zinc/58/06/59/770580659.db2.gz	ZSYRECSIGXAXOX-UHFFFAOYSA-N	-1	0	263.724	2.531	20	30		CFEDRM
COc1ccc(CO)cc1Nc1scc([O-])c1C#N	ZINC001211519450	770659146	/nfs/dbraw/zinc/65/91/46/770659146.db2.gz	QRZZIQZSAAJTTA-UHFFFAOYSA-N	-1	0	276.317	2.570	20	30		CFEDRM
Cc1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480274	770806170	/nfs/dbraw/zinc/80/61/70/770806170.db2.gz	MUNSYTZJHGPXNM-PLNGDYQASA-N	-1	0	276.723	2.984	20	30		CFEDRM
Cc1noc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N	ZINC001211535302	770829302	/nfs/dbraw/zinc/82/93/02/770829302.db2.gz	YPTMMXRFLURBJL-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
N#Cc1ccc2ncc(C=CC(=O)c3sccc3[O-])n2c1	ZINC000588495679	770863778	/nfs/dbraw/zinc/86/37/78/770863778.db2.gz	SFWBLWFIFBJTAH-IHWYPQMZSA-N	-1	0	295.323	2.869	20	30		CFEDRM
O=C(C=Cc1cnn2ccccc12)c1sccc1[O-]	ZINC000588532010	770944260	/nfs/dbraw/zinc/94/42/60/770944260.db2.gz	DKOZTQRDIXKEAA-PLNGDYQASA-N	-1	0	270.313	2.998	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)c([O-])c1	ZINC000588535201	770950319	/nfs/dbraw/zinc/95/03/19/770950319.db2.gz	UNSSAPZCKXYADI-WAYWQWQTSA-N	-1	0	292.722	2.684	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2c(Cl)cnn2C)c([O-])c1	ZINC000588535023	770950747	/nfs/dbraw/zinc/95/07/47/770950747.db2.gz	JPADKKYDTXDRJR-WAYWQWQTSA-N	-1	0	276.723	2.984	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000588535230	770951069	/nfs/dbraw/zinc/95/10/69/770951069.db2.gz	RTQUSSKDZWCSLD-WZUFQYTHSA-N	-1	0	297.266	2.828	20	30		CFEDRM
Cc1c(C)n(-c2ccc(C)c(C(=O)[O-])c2)c(N)c1C#N	ZINC001211594050	775153300	/nfs/dbraw/zinc/15/33/00/775153300.db2.gz	JTWBRLZPCSPNHG-UHFFFAOYSA-N	-1	0	269.304	2.555	20	30		CFEDRM
COCc1ccc(N=Cc2ccc(O)c(O)c2O)cc1	ZINC000588595781	775248150	/nfs/dbraw/zinc/24/81/50/775248150.db2.gz	KXAJIVHUFSBLSZ-UHFFFAOYSA-N	-1	0	273.288	2.700	20	30		CFEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ccccc1[S-]	ZINC001225584568	775511922	/nfs/dbraw/zinc/51/19/22/775511922.db2.gz	ROERBUDNWBAMIP-SNVBAGLBSA-N	-1	0	265.334	2.590	20	30		CFEDRM
Cc1cc(Nc2cncc(C#N)c2)ccc1C(=O)[O-]	ZINC001211647823	775659927	/nfs/dbraw/zinc/65/99/27/775659927.db2.gz	LEWBJKZENPLCOD-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
CC1(C)[C@@H]2C[C@@H](Oc3[n-]c(=O)c(F)cc3C#N)C[C@@H]21	ZINC001226009692	775665875	/nfs/dbraw/zinc/66/58/75/775665875.db2.gz	ZPLQTJRTBGXXHS-OWUUHHOZSA-N	-1	0	262.284	2.611	20	30		CFEDRM
CC1CCC(Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008884	775665991	/nfs/dbraw/zinc/66/59/91/775665991.db2.gz	NKJOYDPNPGSMBT-UHFFFAOYSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009167	775666044	/nfs/dbraw/zinc/66/60/44/775666044.db2.gz	UDVPLERKSAEJIH-JTQLQIEISA-N	-1	0	250.273	2.922	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009138	775666552	/nfs/dbraw/zinc/66/65/52/775666552.db2.gz	SVTPMLNWYGYAKH-ZDUSSCGKSA-N	-1	0	268.247	2.551	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068344	775687749	/nfs/dbraw/zinc/68/77/49/775687749.db2.gz	OMKOEAYTSOEILG-MRVPVSSYSA-N	-1	0	284.237	2.858	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068457	775687758	/nfs/dbraw/zinc/68/77/58/775687758.db2.gz	PLYDDDQJHWQUPM-KCJUWKMLSA-N	-1	0	296.248	2.858	20	30		CFEDRM
CCCCOC[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222372	775740746	/nfs/dbraw/zinc/74/07/46/775740746.db2.gz	ZCYWDKNGWNHCJS-LLVKDONJSA-N	-1	0	264.325	2.551	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C(C)C)C(F)(F)F)c1C#N	ZINC001226221627	775741108	/nfs/dbraw/zinc/74/11/08/775741108.db2.gz	OJECNZOMRQJARG-SNVBAGLBSA-N	-1	0	274.242	2.933	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCc3ccccc3C2)c1C#N	ZINC001226223086	775742367	/nfs/dbraw/zinc/74/23/67/775742367.db2.gz	KRDYOPWDCIDNEI-CQSZACIVSA-N	-1	0	280.327	2.904	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@@H](C)Oc2ccccc2)c1C#N	ZINC001226223294	775742466	/nfs/dbraw/zinc/74/24/66/775742466.db2.gz	NMNJEMQXCXCQKQ-GFCCVEGCSA-N	-1	0	284.315	2.814	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccc2C#N)c1C#N	ZINC001226223208	775742831	/nfs/dbraw/zinc/74/28/31/775742831.db2.gz	MNJJUCUGSAJDPX-NSHDSACASA-N	-1	0	279.299	2.979	20	30		CFEDRM
COC(C)(C)C[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226223066	775743334	/nfs/dbraw/zinc/74/33/34/775743334.db2.gz	KHRMZJMDIVMOGQ-JTQLQIEISA-N	-1	0	264.325	2.550	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226335607	775783907	/nfs/dbraw/zinc/78/39/07/775783907.db2.gz	JLVOQQIIUHUHGF-SCVCMEIPSA-N	-1	0	293.323	2.850	20	30		CFEDRM
N#C[C@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)c1ccccc1	ZINC001226343925	775785643	/nfs/dbraw/zinc/78/56/43/775785643.db2.gz	GFBYPNHFAHMMMP-VIFPVBQESA-N	-1	0	295.220	2.845	20	30		CFEDRM
C#CC[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531765	775862287	/nfs/dbraw/zinc/86/22/87/775862287.db2.gz	HMUDXQOPBUJVLN-SNVBAGLBSA-N	-1	0	258.273	2.598	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226555725	775871765	/nfs/dbraw/zinc/87/17/65/775871765.db2.gz	FYMRMRCDLMOFQO-VIFPVBQESA-N	-1	0	291.738	2.955	20	30		CFEDRM
C=CC[C@@H](Oc1nc2ncnc-2c(S)[n-]1)C(C)C	ZINC001226787394	775966103	/nfs/dbraw/zinc/96/61/03/775966103.db2.gz	XSFQSOHUQXFADY-MRVPVSSYSA-N	-1	0	264.354	2.621	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227096279	776094442	/nfs/dbraw/zinc/09/44/42/776094442.db2.gz	NSBLNWBQJJKBRH-SNVBAGLBSA-N	-1	0	287.275	2.753	20	30		CFEDRM
Cc1cc(Nc2ccc(N)cc2C#N)ccc1C(=O)[O-]	ZINC001211660616	776201641	/nfs/dbraw/zinc/20/16/41/776201641.db2.gz	CXGWXVBOJAANTD-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2ccccc2s1	ZINC000124568839	776210880	/nfs/dbraw/zinc/21/08/80/776210880.db2.gz	VBYCYTAJHYYYJL-GFCCVEGCSA-N	-1	0	298.367	2.846	20	30		CFEDRM
C=CC[C@H](Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-])C(C)C	ZINC001227627918	776248009	/nfs/dbraw/zinc/24/80/09/776248009.db2.gz	JYBJFFLVKDJIGU-QMMMGPOBSA-N	-1	0	299.352	2.792	20	30		CFEDRM
C=CCC[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[nH]c21	ZINC001227695843	776261466	/nfs/dbraw/zinc/26/14/66/776261466.db2.gz	QKGFQEOUEXURKV-VIFPVBQESA-N	-1	0	276.296	2.990	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227743099	776275531	/nfs/dbraw/zinc/27/55/31/776275531.db2.gz	JDQSLYPGYCJIBH-SNVBAGLBSA-N	-1	0	259.265	2.981	20	30		CFEDRM
N#Cc1cc(Nc2c([O-])cc(F)cc2F)ccc1N	ZINC001213436206	776289959	/nfs/dbraw/zinc/28/99/59/776289959.db2.gz	WDFTZLQQEWIDGY-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
C=CC[C@@H](Oc1ccc(-n2nn[n-]c2=S)cc1)C(C)C	ZINC001228439945	776491854	/nfs/dbraw/zinc/49/18/54/776491854.db2.gz	BUPRNUUVMMFFPN-CYBMUJFWSA-N	-1	0	290.392	2.931	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2ncn(C)c21)c1ccccc1	ZINC001228674134	776561750	/nfs/dbraw/zinc/56/17/50/776561750.db2.gz	LDQNJMAFUZLJDJ-LBPRGKRZSA-N	-1	0	296.330	2.765	20	30		CFEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228672307	776562434	/nfs/dbraw/zinc/56/24/34/776562434.db2.gz	AGQSPSUQWIGUFO-LLVKDONJSA-N	-1	0	290.367	2.973	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(F)c1	ZINC001228898478	776650296	/nfs/dbraw/zinc/65/02/96/776650296.db2.gz	GWOWNEFDWZMAAO-VIFPVBQESA-N	-1	0	258.252	2.938	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2cc(F)ccc21	ZINC001228901813	776651674	/nfs/dbraw/zinc/65/16/74/776651674.db2.gz	OBAWJHKBWJPLCA-CYBMUJFWSA-N	-1	0	270.263	2.864	20	30		CFEDRM
CCCC(=O)[C@@H](CCC)Oc1[n-]c(=O)ccc1C#N	ZINC001228900544	776651709	/nfs/dbraw/zinc/65/17/09/776651709.db2.gz	FZMJAZIQLXIDDD-GFCCVEGCSA-N	-1	0	262.309	2.576	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCCN(c2ccccc2)C1	ZINC001228902660	776653273	/nfs/dbraw/zinc/65/32/73/776653273.db2.gz	SPXDVRJFJIEDJB-OAHLLOKOSA-N	-1	0	295.342	2.707	20	30		CFEDRM
N#C[C@@H](Oc1ccccc1-c1nn[nH]n1)c1ccccc1F	ZINC001229950478	776922706	/nfs/dbraw/zinc/92/27/06/776922706.db2.gz	LFCGVVAMWYPTGU-CQSZACIVSA-N	-1	0	295.277	2.649	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240584	776963082	/nfs/dbraw/zinc/96/30/82/776963082.db2.gz	MZHMWIRNFAXIGJ-KXUCPTDWSA-N	-1	0	283.759	2.990	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240586	776963119	/nfs/dbraw/zinc/96/31/19/776963119.db2.gz	MZHMWIRNFAXIGJ-UTLUCORTSA-N	-1	0	283.759	2.990	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2ncc(C(=O)OC)[n-]2)C1	ZINC001230279070	776971420	/nfs/dbraw/zinc/97/14/20/776971420.db2.gz	BWTGIMGLEWAOKG-AAEUAGOBSA-N	-1	0	276.336	2.876	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889220	777083474	/nfs/dbraw/zinc/08/34/74/777083474.db2.gz	SRNJZTFYCREWKN-RISCZKNCSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C[C@@H](Oc1ncnc2c(C#N)cccc12)C1=CC=C[CH]1	ZINC001231038304	777121721	/nfs/dbraw/zinc/12/17/21/777121721.db2.gz	AOKLDQGRQUUPQR-LLVKDONJSA-N	-1	0	262.292	2.969	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231224776	777173735	/nfs/dbraw/zinc/17/37/35/777173735.db2.gz	QUKXECGHQYLHGM-SECBINFHSA-N	-1	0	294.263	2.779	20	30		CFEDRM
CCOC(=O)C[C@@H](CC#N)Oc1cccc([S-])c1	ZINC001226015704	777382671	/nfs/dbraw/zinc/38/26/71/777382671.db2.gz	MNJHSZTXQWBGTE-LLVKDONJSA-N	-1	0	265.334	2.590	20	30		CFEDRM
C=CC[C@H](Oc1nncc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226171193	777467539	/nfs/dbraw/zinc/46/75/39/777467539.db2.gz	YMMGRQFCIUWORH-NSHDSACASA-N	-1	0	277.711	2.927	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCOC[C@@H]2c2ccccc2)c1	ZINC001232673552	777636645	/nfs/dbraw/zinc/63/66/45/777636645.db2.gz	IYGGHAMYUANUQC-QGZVFWFLSA-N	-1	0	294.354	2.837	20	30		CFEDRM
C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)ccc1[O-]	ZINC001232678919	777639669	/nfs/dbraw/zinc/63/96/69/777639669.db2.gz	UWOUFLKVDIGYET-GFCCVEGCSA-N	-1	0	267.332	2.642	20	30		CFEDRM
COc1ccc2c(c1)CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001232679979	777640402	/nfs/dbraw/zinc/64/04/02/777640402.db2.gz	WFJOFCGPIPISHS-UHFFFAOYSA-N	-1	0	280.327	2.788	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228483769	778130392	/nfs/dbraw/zinc/13/03/92/778130392.db2.gz	XKDAKCYJTPZPCA-NSHDSACASA-N	-1	0	275.695	2.869	20	30		CFEDRM
C#C[C@@H](Oc1ccc2[n-]c(=S)sc2c1)C(=O)OCC	ZINC001234425365	778224071	/nfs/dbraw/zinc/22/40/71/778224071.db2.gz	SOXBBJKRQTZSBN-SNVBAGLBSA-N	-1	0	293.369	2.529	20	30		CFEDRM
C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234515197	778240608	/nfs/dbraw/zinc/24/06/08/778240608.db2.gz	GTANKCLDRYUWTO-TVQRCGJNSA-N	-1	0	269.304	2.774	20	30		CFEDRM
CCC(CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510608	778241307	/nfs/dbraw/zinc/24/13/07/778241307.db2.gz	BUYIDQMLOVVNAK-UHFFFAOYSA-N	-1	0	257.293	2.774	20	30		CFEDRM
C#C[C@H](Oc1nc[nH]c(=O)c1-c1ccccc1)C(C)C	ZINC001234690869	778289364	/nfs/dbraw/zinc/28/93/64/778289364.db2.gz	GTYVKRCCINOJJH-ZDUSSCGKSA-N	-1	0	268.316	2.886	20	30		CFEDRM
C#C[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234814809	778299366	/nfs/dbraw/zinc/29/93/66/778299366.db2.gz	RSGSGRQJLJVGSH-NSHDSACASA-N	-1	0	258.273	2.598	20	30		CFEDRM
C#CC[C@@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234818302	778301288	/nfs/dbraw/zinc/30/12/88/778301288.db2.gz	IRRSUEVVYYRFOZ-GFCCVEGCSA-N	-1	0	272.300	2.988	20	30		CFEDRM
Cc1cc(=O)c2c(O[C@H](C)CS)cc([O-])cc2o1	ZINC001234818371	778302579	/nfs/dbraw/zinc/30/25/79/778302579.db2.gz	JVNNCKXCVJYRQH-MRVPVSSYSA-N	-1	0	266.318	2.504	20	30		CFEDRM
C=C[C@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC	ZINC001223893556	778359744	/nfs/dbraw/zinc/35/97/44/778359744.db2.gz	XIMHVOUKIYULPB-ZEIZSXSISA-N	-1	0	265.309	2.821	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C=CC(=O)[O-])cc3)ncc12	ZINC001235150398	778397894	/nfs/dbraw/zinc/39/78/94/778397894.db2.gz	WHQHOCAKFOHJQD-ZZXKWVIFSA-N	-1	0	290.282	2.594	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(F)cc(Br)c1[O-]	ZINC001235299572	778449386	/nfs/dbraw/zinc/44/93/86/778449386.db2.gz	VZZZUTOYWOKASJ-JTQLQIEISA-N	-1	0	299.143	2.782	20	30		CFEDRM
COc1ncc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1C#N	ZINC001235457679	778497339	/nfs/dbraw/zinc/49/73/39/778497339.db2.gz	FNCQULXCSWHBFJ-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#Cc1cnccc1-c1c(F)cc(F)c([O-])c1F	ZINC001235998856	778648629	/nfs/dbraw/zinc/64/86/29/778648629.db2.gz	RDZSIRAPEVRAFM-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000436815586	778654914	/nfs/dbraw/zinc/65/49/14/778654914.db2.gz	LRNNBECQVQKHMH-UHFFFAOYSA-N	-1	0	274.707	2.842	20	30		CFEDRM
C=CCn1ccc2c1ncnc2-c1ccc(C(=O)[O-])cc1	ZINC001236055292	778670990	/nfs/dbraw/zinc/67/09/90/778670990.db2.gz	GXXFLLSETGLZFF-UHFFFAOYSA-N	-1	0	279.299	2.983	20	30		CFEDRM
Cc1c(Cl)c(-c2ccc(C#N)nn2)ccc1C(=O)[O-]	ZINC001236107940	778697536	/nfs/dbraw/zinc/69/75/36/778697536.db2.gz	JJZBQFGMYNAHFN-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1ccc2nc(N)ncc2c1	ZINC001213108030	778794956	/nfs/dbraw/zinc/79/49/56/778794956.db2.gz	APORIRMZRSNUPW-UHFFFAOYSA-N	-1	0	283.316	2.594	20	30		CFEDRM
COc1ccc(CN2CC[C@@](C)(C#N)C2)c([O-])c1Cl	ZINC001236809169	778949004	/nfs/dbraw/zinc/94/90/04/778949004.db2.gz	KDZPSSDPQITTHU-AWEZNQCLSA-N	-1	0	280.755	2.790	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCC(F)(F)F)c1	ZINC000176399017	779123177	/nfs/dbraw/zinc/12/31/77/779123177.db2.gz	KWIRDZPFUMMFJN-UHFFFAOYSA-N	-1	0	258.199	2.545	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccncc2Cl)c1	ZINC000176399106	779123855	/nfs/dbraw/zinc/12/38/55/779123855.db2.gz	RODKALIIKWYVEZ-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176400448	779124022	/nfs/dbraw/zinc/12/40/22/779124022.db2.gz	UKKKDUCXUVBXAN-QMMMGPOBSA-N	-1	0	285.303	2.611	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC001237621548	779146239	/nfs/dbraw/zinc/14/62/39/779146239.db2.gz	CABJALNFORCTCK-QMMMGPOBSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(F)cc(Cl)c1[O-]	ZINC001237802807	779183191	/nfs/dbraw/zinc/18/31/91/779183191.db2.gz	PRAZAKXITKIZIP-UWVGGRQHSA-N	-1	0	272.682	2.621	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2ncc(Cl)n2C)n1	ZINC001123232590	779364035	/nfs/dbraw/zinc/36/40/35/779364035.db2.gz	BBATXQXOIILYGF-SNVBAGLBSA-N	-1	0	288.738	2.521	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)[O-])nn1	ZINC001238841762	779402128	/nfs/dbraw/zinc/40/21/28/779402128.db2.gz	FCKRXRRKESHKSY-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2F)ccc1CC#N	ZINC001239250264	779483564	/nfs/dbraw/zinc/48/35/64/779483564.db2.gz	NLGVXUMUWGKWNJ-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])cc3F)cnc12	ZINC001239262551	779490800	/nfs/dbraw/zinc/49/08/00/779490800.db2.gz	YKEQTRVZYJUNLM-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
CC(C)(C)[C@@](C)(C#N)NC(=O)c1cccc(F)c1[O-]	ZINC001127533259	779517218	/nfs/dbraw/zinc/51/72/18/779517218.db2.gz	OTXJDSUNRZKSAU-CQSZACIVSA-N	-1	0	264.300	2.589	20	30		CFEDRM
COc1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001239333474	779523042	/nfs/dbraw/zinc/52/30/42/779523042.db2.gz	QTTWZSRVFBISOK-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239346366	779531865	/nfs/dbraw/zinc/53/18/65/779531865.db2.gz	ZNGCYBGSTPDDLD-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COc1cc(-c2ccc(CC#N)nc2)ccc1C(=O)[O-]	ZINC001240742761	780408734	/nfs/dbraw/zinc/40/87/34/780408734.db2.gz	ADRKBRSSTWUEEX-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2cccnc2CC#N)ccc1C(=O)[O-]	ZINC001240745719	780410844	/nfs/dbraw/zinc/41/08/44/780410844.db2.gz	HWMOZLDFSAYMHO-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])s1	ZINC001240849072	780476129	/nfs/dbraw/zinc/47/61/29/780476129.db2.gz	LALULXQDIILXHB-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240971356	780559336	/nfs/dbraw/zinc/55/93/36/780559336.db2.gz	CTICZJZARZJNJO-UHFFFAOYSA-N	-1	0	299.355	2.673	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1ccc(CC(=O)[O-])cc1	ZINC001240971783	780560715	/nfs/dbraw/zinc/56/07/15/780560715.db2.gz	INCWLKSALDZFJR-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240974606	780563711	/nfs/dbraw/zinc/56/37/11/780563711.db2.gz	XEAZOZRYPPYRMH-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(CC(=O)[O-])cc1	ZINC001240978489	780566892	/nfs/dbraw/zinc/56/68/92/780566892.db2.gz	VWOWBGDHJOEMQS-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(OCC#N)cn1	ZINC001241001127	780584809	/nfs/dbraw/zinc/58/48/09/780584809.db2.gz	PGTYHVBZUINXHU-UHFFFAOYSA-N	-1	0	268.272	2.658	20	30		CFEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cn1	ZINC001212511089	780600781	/nfs/dbraw/zinc/60/07/81/780600781.db2.gz	RJQPOVIFQJQPGY-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
N#Cc1c(F)cncc1-c1c(F)cc([O-])cc1F	ZINC001241123260	780652171	/nfs/dbraw/zinc/65/21/71/780652171.db2.gz	YAKQRXYBRHYMEU-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(F)c(C(=O)[O-])c3)ccc2[nH]1	ZINC001241242551	780726101	/nfs/dbraw/zinc/72/61/01/780726101.db2.gz	LXHUKEPWFSFELZ-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ncc1C#N	ZINC001241342992	780797908	/nfs/dbraw/zinc/79/79/08/780797908.db2.gz	ACFQBKSMDVYYEW-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000703741698	781053476	/nfs/dbraw/zinc/05/34/76/781053476.db2.gz	YNUBTFUWLAXUSZ-STQMWFEESA-N	-1	0	284.400	2.709	20	30		CFEDRM
COc1cc(-c2cncc(C(=O)[O-])c2)ccc1CC#N	ZINC001241801404	781132408	/nfs/dbraw/zinc/13/24/08/781132408.db2.gz	JCRPKHFHCOHMEY-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
CO/N=C/c1cc(-c2cncc(C(=O)[O-])c2)ccc1F	ZINC001241802405	781133662	/nfs/dbraw/zinc/13/36/62/781133662.db2.gz	QKXSMQDPYIQGRH-CAOOACKPSA-N	-1	0	274.251	2.566	20	30		CFEDRM
N#Cc1cc2[nH]ccc2c(-c2cncc(C(=O)[O-])c2)c1	ZINC001241803978	781135344	/nfs/dbraw/zinc/13/53/44/781135344.db2.gz	WOYITBLCKPEXLV-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cc(F)cc(C(=O)[O-])c1)CCC2	ZINC001241821395	781143767	/nfs/dbraw/zinc/14/37/67/781143767.db2.gz	PCNMQNBTZBXNRF-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1ccc(-c2ccc(-c3cnn(CC(=O)[O-])c3)cc2)o1	ZINC001242184217	781316199	/nfs/dbraw/zinc/31/61/99/781316199.db2.gz	DMRVVKGPCFVVBD-UHFFFAOYSA-N	-1	0	293.282	2.766	20	30		CFEDRM
COc1nc(-c2cc(C(=O)[O-])cc(F)c2C)ccc1C#N	ZINC001242205991	781325958	/nfs/dbraw/zinc/32/59/58/781325958.db2.gz	ZGMRFRFFLWLPKG-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1cccc(CC(=O)[O-])c1	ZINC001242261306	781346378	/nfs/dbraw/zinc/34/63/78/781346378.db2.gz	BQUVGDXYOIKOHB-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
N#Cc1ccc(-c2cccc(CC(=O)[O-])c2)c(C#N)c1	ZINC001242263596	781348644	/nfs/dbraw/zinc/34/86/44/781348644.db2.gz	LDGVZLRJQQJLSX-UHFFFAOYSA-N	-1	0	262.268	2.724	20	30		CFEDRM
CC1(C)CC(=O)C=C(c2ccc(S(=O)(=O)[O-])cc2)C1	ZINC001242317490	781394798	/nfs/dbraw/zinc/39/47/98/781394798.db2.gz	LVWZXRLXHLGOCR-UHFFFAOYSA-N	-1	0	280.345	2.706	20	30		CFEDRM
N#Cc1c2ccccc2cnc1-c1ccc(C(=O)[O-])nc1	ZINC001242333787	781403593	/nfs/dbraw/zinc/40/35/93/781403593.db2.gz	NMTMRQOBRHPNJJ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
O=C([O-])c1ccc(-c2ccc3c(c2)CC/C3=N/O)cn1	ZINC001242338075	781409562	/nfs/dbraw/zinc/40/95/62/781409562.db2.gz	MTWAUAFHLFLSFW-LGMDPLHJSA-N	-1	0	268.272	2.571	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1cccc(F)c1[O-]	ZINC001242350985	781422385	/nfs/dbraw/zinc/42/23/85/781422385.db2.gz	XDWXGMWBYDXVOW-UHFFFAOYSA-N	-1	0	272.279	2.509	20	30		CFEDRM
N#Cc1ccnc(-c2cccc(C(=O)[O-])c2F)c1F	ZINC001242377997	781446560	/nfs/dbraw/zinc/44/65/60/781446560.db2.gz	LVEDMAOIOUURQO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cnc(F)c(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242381138	781450302	/nfs/dbraw/zinc/45/03/02/781450302.db2.gz	IJIUGFRWSPKASR-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2F)cc1C#N	ZINC001242380750	781450397	/nfs/dbraw/zinc/45/03/97/781450397.db2.gz	RZBZLEFDRSMFSP-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
CC#Cc1cncc(-c2cc(C(=O)[O-])ccc2OC)c1	ZINC001242392279	781461721	/nfs/dbraw/zinc/46/17/21/781461721.db2.gz	QVUYMSFPYWEENQ-UHFFFAOYSA-N	-1	0	267.284	2.827	20	30		CFEDRM
Cn1c2ccccc2cc(-c2ccc([O-])c(C#N)c2)c1=O	ZINC001242565167	781603551	/nfs/dbraw/zinc/60/35/51/781603551.db2.gz	OVRQXWVBBZHHDG-UHFFFAOYSA-N	-1	0	276.295	2.783	20	30		CFEDRM
Cc1cc(-c2ccccc2S(=O)(=O)[O-])ccc1C#N	ZINC001242767383	781750998	/nfs/dbraw/zinc/75/09/98/781750998.db2.gz	SZWNPLPZZASRED-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
COc1ccnc(-c2cccc([O-])c2Cl)c1C#N	ZINC001242798305	781764272	/nfs/dbraw/zinc/76/42/72/781764272.db2.gz	RBWJMWYXAKLRNC-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
COc1cnc(-c2cccc([O-])c2Cl)c(C#N)c1	ZINC001242798362	781764332	/nfs/dbraw/zinc/76/43/32/781764332.db2.gz	UJLJTFJXQZZOQW-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3ccccc3C(=O)[O-])cc12	ZINC001242879770	781819495	/nfs/dbraw/zinc/81/94/95/781819495.db2.gz	GKTKQCNNUBAQLO-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ncc(C)cc1/C=N/O	ZINC001242921975	781843739	/nfs/dbraw/zinc/84/37/39/781843739.db2.gz	XMRBDZAJHBIZFF-CAOOACKPSA-N	-1	0	286.287	2.572	20	30		CFEDRM
CCOc1nc(O[C@@H](C)C2=CC=C[CH]2)c(C#N)s1	ZINC001231090851	781903245	/nfs/dbraw/zinc/90/32/45/781903245.db2.gz	KEJWBNAOYIMLHT-VIFPVBQESA-N	-1	0	261.326	2.881	20	30		CFEDRM
Cc1ccnc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N	ZINC000594541699	349444357	/nfs/dbraw/zinc/44/43/57/349444357.db2.gz	XENFCHZQOHFOMZ-WCFLWFBJSA-N	-1	0	287.363	2.809	20	30		CFEDRM
C[C@H](CNc1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000594545359	349444920	/nfs/dbraw/zinc/44/49/20/349444920.db2.gz	MKKJWNGAWGNJQI-SSDOTTSWSA-N	-1	0	272.226	2.710	20	30		CFEDRM
C[C@@H](C#N)Cn1[n-]c(-c2c(F)cccc2Cl)cc1=O	ZINC000594660180	349470301	/nfs/dbraw/zinc/47/03/01/349470301.db2.gz	LNWJFRJNTNCJIU-QMMMGPOBSA-N	-1	0	279.702	2.575	20	30		CFEDRM
N#Cc1c(F)cc(CN=c2nc(C3CC3)[n-]s2)cc1F	ZINC000594873934	349491520	/nfs/dbraw/zinc/49/15/20/349491520.db2.gz	UFDCHHYKJZBTPT-UHFFFAOYSA-N	-1	0	292.314	2.599	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(NCCC(=O)[O-])c2c1	ZINC000263526701	383676977	/nfs/dbraw/zinc/67/69/77/383676977.db2.gz	UHIYOYXSDWVQPR-UHFFFAOYSA-N	-1	0	269.304	2.610	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2cccc(C#N)c2)n1	ZINC000070092601	346906179	/nfs/dbraw/zinc/90/61/79/346906179.db2.gz	YXTDVYIUJWKQOS-UHFFFAOYSA-N	-1	0	269.304	2.875	20	30		CFEDRM
Cc1c(Cl)cnc(NCC2(C(=O)[O-])CCC2)c1C#N	ZINC000595971769	349772875	/nfs/dbraw/zinc/77/28/75/349772875.db2.gz	USAYTBVIVBMPKI-UHFFFAOYSA-N	-1	0	279.727	2.582	20	30		CFEDRM
C[C@@H]1CCN(c2cccc(Cl)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000595969996	349773070	/nfs/dbraw/zinc/77/30/70/349773070.db2.gz	SZSSNAAJCJUWMX-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@@H](CN(C)c1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595967686	349773150	/nfs/dbraw/zinc/77/31/50/349773150.db2.gz	AZSAMABMSRQXEP-QMMMGPOBSA-N	-1	0	268.263	2.653	20	30		CFEDRM
N#Cc1c(F)cccc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595977449	349773539	/nfs/dbraw/zinc/77/35/39/349773539.db2.gz	JGQFQVMXKKNILD-NSHDSACASA-N	-1	0	262.284	2.610	20	30		CFEDRM
N#Cc1c(F)cccc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595977448	349773636	/nfs/dbraw/zinc/77/36/36/349773636.db2.gz	JGQFQVMXKKNILD-LLVKDONJSA-N	-1	0	262.284	2.610	20	30		CFEDRM
Cc1nsc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C#N	ZINC000595973154	349773680	/nfs/dbraw/zinc/77/36/80/349773680.db2.gz	RTRGYUBQMALQEB-CYBMUJFWSA-N	-1	0	299.355	2.512	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000595977469	349773730	/nfs/dbraw/zinc/77/37/30/349773730.db2.gz	KHSBJJHDSBQGJJ-LBPRGKRZSA-N	-1	0	262.284	2.610	20	30		CFEDRM
Cc1c(Cl)cnc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1C#N	ZINC000595972344	349773949	/nfs/dbraw/zinc/77/39/49/349773949.db2.gz	ASYBPMGPEIKJKI-WCBMZHEXSA-N	-1	0	293.754	2.605	20	30		CFEDRM
N#CC1(CC(=O)N2CCCC[C@H]2CC(=O)[O-])CCCCC1	ZINC000596000052	349774496	/nfs/dbraw/zinc/77/44/96/349774496.db2.gz	UFSPTSAXWNIKNQ-ZDUSSCGKSA-N	-1	0	292.379	2.706	20	30		CFEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1(C#N)CCCCC1	ZINC000595988376	349774742	/nfs/dbraw/zinc/77/47/42/349774742.db2.gz	IEIABGYPCNYOJE-STQMWFEESA-N	-1	0	292.379	2.562	20	30		CFEDRM
C[C@](O)(CN=c1[n-]c(C#N)c(Cl)s1)C1CCCCC1	ZINC000596208645	349826971	/nfs/dbraw/zinc/82/69/71/349826971.db2.gz	UMBPPZZIEXDPTN-ZDUSSCGKSA-N	-1	0	299.827	2.833	20	30		CFEDRM
N#Cc1[n-]c(=N[C@@H](CO)CC2CCCCC2)sc1Cl	ZINC000596276572	349850714	/nfs/dbraw/zinc/85/07/14/349850714.db2.gz	DMUBGUHYXYZICE-SNVBAGLBSA-N	-1	0	299.827	2.833	20	30		CFEDRM
COC[C@H](CC(C)(C)C)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596296363	349855614	/nfs/dbraw/zinc/85/56/14/349855614.db2.gz	IFLJCGRONCXQOV-QMMMGPOBSA-N	-1	0	287.816	2.953	20	30		CFEDRM
COCc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000097261766	185573060	/nfs/dbraw/zinc/57/30/60/185573060.db2.gz	CVLWFBOTMDCMDB-SNVBAGLBSA-N	-1	0	276.317	2.681	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@@H]2C)c1O	ZINC000005110695	346210312	/nfs/dbraw/zinc/21/03/12/346210312.db2.gz	WBQLJQFQLBCBQB-HWEXLZCJSA-N	-1	0	262.353	2.586	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2C)c1O	ZINC000005110698	346210541	/nfs/dbraw/zinc/21/05/41/346210541.db2.gz	WBQLJQFQLBCBQB-GSAIQRRHSA-N	-1	0	262.353	2.586	20	30		CFEDRM
CC(C)[C@@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081369073	347415664	/nfs/dbraw/zinc/41/56/64/347415664.db2.gz	IABIOGQOPZRNDM-SNVBAGLBSA-N	-1	0	275.333	2.768	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cc(C#N)cs2)nc(C)n1	ZINC000083938179	347454830	/nfs/dbraw/zinc/45/48/30/347454830.db2.gz	OWWRUOASQVZCTP-NSHDSACASA-N	-1	0	282.328	2.517	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	ZINC000089285144	347515442	/nfs/dbraw/zinc/51/54/42/347515442.db2.gz	LCTQBVWDAHNWKF-RKDXNWHRSA-N	-1	0	299.314	2.827	20	30		CFEDRM
CC(C)[C@@H](CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000133565482	347892741	/nfs/dbraw/zinc/89/27/41/347892741.db2.gz	GFUXEPYQRVPSCP-SECBINFHSA-N	-1	0	268.263	2.605	20	30		CFEDRM
C=CCN(c1ncnc2sc(C(=O)[O-])c(C)c21)C1CC1	ZINC000162247623	348029590	/nfs/dbraw/zinc/02/95/90/348029590.db2.gz	PMJQLFKAFFIUMF-UHFFFAOYSA-N	-1	0	289.360	2.853	20	30		CFEDRM
C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)C(=O)[O-]	ZINC000163854342	348035015	/nfs/dbraw/zinc/03/50/15/348035015.db2.gz	QSLJEMYTNADTFH-ZETCQYMHSA-N	-1	0	272.226	2.710	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000163852539	348035276	/nfs/dbraw/zinc/03/52/76/348035276.db2.gz	WHMKHFWQQLYMRB-NSHDSACASA-N	-1	0	286.253	2.876	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(OCC(=O)[O-])cc2)nc1	ZINC000255012553	348302547	/nfs/dbraw/zinc/30/25/47/348302547.db2.gz	INVDTHKSHIGVGV-KTAJNNJTSA-N	-1	0	280.283	2.587	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CCSCC2)c1	ZINC000264874376	348318687	/nfs/dbraw/zinc/31/86/87/348318687.db2.gz	BHZRLFGIWBYJGT-NTEUORMPSA-N	-1	0	280.349	2.863	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(Cl)cc2O)n1	ZINC000589463743	348834442	/nfs/dbraw/zinc/83/44/42/348834442.db2.gz	ZIURENFQUZWMIE-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N1CCC(C(=O)[O-])CC1	ZINC000591325024	349009072	/nfs/dbraw/zinc/00/90/72/349009072.db2.gz	KLUUXABICYYRIY-UHFFFAOYSA-N	-1	0	295.342	2.716	20	30		CFEDRM
N#Cc1cc(NCCCCCC(=O)[O-])c2ccccc2n1	ZINC000591326588	349009544	/nfs/dbraw/zinc/00/95/44/349009544.db2.gz	QLHQYCZCAFRGFL-UHFFFAOYSA-N	-1	0	283.331	2.585	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N(C)C[C@@H](C)C(=O)[O-]	ZINC000591327344	349010461	/nfs/dbraw/zinc/01/04/61/349010461.db2.gz	CHLOMINIGRKKPT-LLVKDONJSA-N	-1	0	283.331	2.572	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1	ZINC000591531167	349029343	/nfs/dbraw/zinc/02/93/43/349029343.db2.gz	GOSIBJVDYWCYAG-UHFFFAOYSA-N	-1	0	272.304	2.532	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1	ZINC000592420534	349117849	/nfs/dbraw/zinc/11/78/49/349117849.db2.gz	HYXWQPYWQXDGAH-CMPLNLGQSA-N	-1	0	287.363	2.916	20	30		CFEDRM
C[C@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000592420601	349117993	/nfs/dbraw/zinc/11/79/93/349117993.db2.gz	FUORWYHHFGEOGH-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CCCCCCCC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000100136458	282652028	/nfs/dbraw/zinc/65/20/28/282652028.db2.gz	YSUHNCSEROGBAG-LBPRGKRZSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000597997057	350175271	/nfs/dbraw/zinc/17/52/71/350175271.db2.gz	FFGZDFCGDSTHBO-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000597998269	350176124	/nfs/dbraw/zinc/17/61/24/350176124.db2.gz	MXJSKXBBPJQBTA-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
CCCCC[C@@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175293060	282690862	/nfs/dbraw/zinc/69/08/62/282690862.db2.gz	XDGVSRVCOOKZFM-SNVBAGLBSA-N	-1	0	273.340	2.698	20	30		CFEDRM
C[C@H]1C[C@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000600672565	350594268	/nfs/dbraw/zinc/59/42/68/350594268.db2.gz	OSMLXXAOVUYTDZ-QWRGUYRKSA-N	-1	0	261.369	2.998	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1	ZINC000600676404	350595853	/nfs/dbraw/zinc/59/58/53/350595853.db2.gz	UTYQKXFGFABWHL-UHFFFAOYSA-N	-1	0	298.346	2.846	20	30		CFEDRM
Cc1ccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)cc1C#N	ZINC000600965961	350638749	/nfs/dbraw/zinc/63/87/49/350638749.db2.gz	YMGKSZWVDHRGTA-NSHDSACASA-N	-1	0	269.304	2.766	20	30		CFEDRM
N#Cc1csc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1	ZINC000600942606	350634357	/nfs/dbraw/zinc/63/43/57/350634357.db2.gz	GBDSTIRVIZYJCT-QWHCGFSZSA-N	-1	0	299.355	2.815	20	30		CFEDRM
CC1(c2nc(=NCc3ccc(C#N)c(F)c3)s[n-]2)CC1	ZINC000601063686	350656952	/nfs/dbraw/zinc/65/69/52/350656952.db2.gz	HSRXFHDXXBKUHA-UHFFFAOYSA-N	-1	0	288.351	2.634	20	30		CFEDRM
CN=c1[n-]nc(S[C@@H](C#N)CCc2ccccc2)s1	ZINC000601074715	350659049	/nfs/dbraw/zinc/65/90/49/350659049.db2.gz	ZDPCABFGTFEDEI-LLVKDONJSA-N	-1	0	290.417	2.619	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1Cl	ZINC000601946606	350814610	/nfs/dbraw/zinc/81/46/10/350814610.db2.gz	DCLNNXIJKCBQKP-JTQLQIEISA-N	-1	0	259.696	2.714	20	30		CFEDRM
Cc1[n-]n([C@@H]2CCc3c2cccc3F)c(=O)c1CCC#N	ZINC000601948987	350816042	/nfs/dbraw/zinc/81/60/42/350816042.db2.gz	IEKPVWJZKAIOGK-XHDPSFHLSA-N	-1	0	285.322	2.951	20	30		CFEDRM
CCCCc1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC000601945581	350813497	/nfs/dbraw/zinc/81/34/97/350813497.db2.gz	UIGLTEOWWXBEGM-UHFFFAOYSA-N	-1	0	255.321	2.837	20	30		CFEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)C2CCC=CCC2)[n-]1	ZINC000602279719	350858446	/nfs/dbraw/zinc/85/84/46/350858446.db2.gz	FRWYSZWBXVEIOK-UHFFFAOYSA-N	-1	0	286.379	2.617	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCC2CCC(C#N)CC2)o1	ZINC000603371453	351148961	/nfs/dbraw/zinc/14/89/61/351148961.db2.gz	NBZOFASTGVZKPR-UHFFFAOYSA-N	-1	0	276.384	2.921	20	30		CFEDRM
C=CCCOCC(=O)Nc1cccc(Cl)c1[O-]	ZINC000605880013	351257425	/nfs/dbraw/zinc/25/74/25/351257425.db2.gz	NYZBUBJTYHUOCU-UHFFFAOYSA-N	-1	0	255.701	2.577	20	30		CFEDRM
C[C@@H](N=c1[n-]nc(C(F)F)s1)c1cccc(C#N)c1	ZINC000610909180	351620663	/nfs/dbraw/zinc/62/06/63/351620663.db2.gz	QQPJSFGVCIALKQ-SSDOTTSWSA-N	-1	0	280.303	2.942	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)nc(C)n1	ZINC000613296384	351934477	/nfs/dbraw/zinc/93/44/77/351934477.db2.gz	VEELEIIOKMVASX-NSHDSACASA-N	-1	0	297.362	2.604	20	30		CFEDRM
CCSCC[C@H](C)NC(=O)c1cc(O)cc(C#N)c1	ZINC000614370555	352086524	/nfs/dbraw/zinc/08/65/24/352086524.db2.gz	BWQFUWANZWYLHW-JTQLQIEISA-N	-1	0	278.377	2.525	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC2CCC(C(=O)[O-])CC2)c1	ZINC000263543631	383679314	/nfs/dbraw/zinc/67/93/14/383679314.db2.gz	FKIITYKNPCEZMM-UHFFFAOYSA-N	-1	0	286.331	2.816	20	30		CFEDRM
N#Cc1ccc(CN=c2nc(C3CC3)[n-]s2)cc1Cl	ZINC000619747132	353062668	/nfs/dbraw/zinc/06/26/68/353062668.db2.gz	FGESEHNBPMHCMJ-UHFFFAOYSA-N	-1	0	290.779	2.975	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000621585752	353382517	/nfs/dbraw/zinc/38/25/17/353382517.db2.gz	JKJAXVSUYVSZSR-CQSZACIVSA-N	-1	0	279.380	2.905	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611357	353384094	/nfs/dbraw/zinc/38/40/94/353384094.db2.gz	AWGQQMYZRROGON-IUCAKERBSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611074	353384195	/nfs/dbraw/zinc/38/41/95/353384195.db2.gz	WAUXAJGBWGMKTR-VIFPVBQESA-N	-1	0	294.376	2.787	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1CC(C(=O)[O-])C1)c1ccccc1	ZINC000630297095	355045332	/nfs/dbraw/zinc/04/53/32/355045332.db2.gz	KVUSEYGKJNGZIR-NRXISQOPSA-N	-1	0	287.359	2.921	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630181686	355024365	/nfs/dbraw/zinc/02/43/65/355024365.db2.gz	LABBMESNUBJZAU-STQMWFEESA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(CCC)s1)C(=O)[O-]	ZINC000630182192	355024557	/nfs/dbraw/zinc/02/45/57/355024557.db2.gz	MXMNOWRLDFOWOS-LLVKDONJSA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)[O-]	ZINC000630183261	355024587	/nfs/dbraw/zinc/02/45/87/355024587.db2.gz	VLKARMMNKSRWLU-LLVKDONJSA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630302548	355046550	/nfs/dbraw/zinc/04/65/50/355046550.db2.gz	XSPBBSZCMXXNFL-JXQTWKCFSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000630302530	355046689	/nfs/dbraw/zinc/04/66/89/355046689.db2.gz	XNNCJRJNDMNGSJ-OAHLLOKOSA-N	-1	0	287.359	2.885	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC000630318856	355049334	/nfs/dbraw/zinc/04/93/34/355049334.db2.gz	NDRFLLJHMWSPCU-SNVBAGLBSA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000630319719	355049954	/nfs/dbraw/zinc/04/99/54/355049954.db2.gz	GPOZOGNFXCSJAT-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000630319130	355050047	/nfs/dbraw/zinc/05/00/47/355050047.db2.gz	SQIBGMUXPYMWHA-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-]	ZINC000630319641	355050068	/nfs/dbraw/zinc/05/00/68/355050068.db2.gz	DXPHMXOBHDQOAE-QMMMGPOBSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000630319813	355050162	/nfs/dbraw/zinc/05/01/62/355050162.db2.gz	IFUOLLFBJZYFKS-SKDRFNHKSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630320749	355050904	/nfs/dbraw/zinc/05/09/04/355050904.db2.gz	BEZFMZFJXVTGEQ-ZFWWWQNUSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000630321662	355050976	/nfs/dbraw/zinc/05/09/76/355050976.db2.gz	LEYWBZXFJGUKRP-JTQLQIEISA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630321193	355051034	/nfs/dbraw/zinc/05/10/34/355051034.db2.gz	GULZXHZLSDHSPG-NEPJUHHUSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2cccc(C)c2o1)C(=O)[O-]	ZINC000630324608	355052223	/nfs/dbraw/zinc/05/22/23/355052223.db2.gz	GAORRJHBMJZAEY-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000630326676	355053207	/nfs/dbraw/zinc/05/32/07/355053207.db2.gz	RTRZJYLRFBEMDZ-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1nc(C(C)(C)OC)[n-]s1	ZINC000634150981	356100639	/nfs/dbraw/zinc/10/06/39/356100639.db2.gz	FLSZFCWCDPLQIZ-UHFFFAOYSA-N	-1	0	295.408	2.548	20	30		CFEDRM
C=C(C)CN(C)c1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000135292869	541242320	/nfs/dbraw/zinc/24/23/20/541242320.db2.gz	DKGNJQTWPSZKRL-UHFFFAOYSA-N	-1	0	277.349	2.710	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cc(C(=O)[O-])cs2)nc1	ZINC000445540891	241224297	/nfs/dbraw/zinc/22/42/97/241224297.db2.gz	RMPZTOKWEBSUPL-ARJAWSKDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(CC(C)C)s2)ccc1C#N	ZINC000446965014	241342494	/nfs/dbraw/zinc/34/24/94/241342494.db2.gz	HEBWXLWZONRDGF-UHFFFAOYSA-N	-1	0	286.404	2.951	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(-c3ccco3)o2)ccc1C#N	ZINC000446957674	241342837	/nfs/dbraw/zinc/34/28/37/241342837.db2.gz	NXUSRXIQWOJTFB-UHFFFAOYSA-N	-1	0	280.287	2.544	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000675966355	541712715	/nfs/dbraw/zinc/71/27/15/541712715.db2.gz	LXEVFFKWCIQDSX-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnn2)s1	ZINC000529011023	383684834	/nfs/dbraw/zinc/68/48/34/383684834.db2.gz	UUDYTMIXCHITJE-VIFPVBQESA-N	-1	0	286.360	2.721	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CC=CCC1	ZINC000042242867	372893113	/nfs/dbraw/zinc/89/31/13/372893113.db2.gz	HSHXHRSXYGWZCI-SECBINFHSA-N	-1	0	271.363	2.750	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)n1	ZINC000048520422	373196089	/nfs/dbraw/zinc/19/60/89/373196089.db2.gz	XLMXNEVHUGCBNJ-SECBINFHSA-N	-1	0	274.349	2.788	20	30		CFEDRM
COCc1nc(C([O-])=C(C#N)c2nc(C)cs2)cs1	ZINC000049155610	373272933	/nfs/dbraw/zinc/27/29/33/373272933.db2.gz	RMMBMDUNBMTESK-QMMMGPOBSA-N	-1	0	293.373	2.545	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21	ZINC000049417766	373295107	/nfs/dbraw/zinc/29/51/07/373295107.db2.gz	RAHRETTWDBRHLP-CYBMUJFWSA-N	-1	0	281.377	2.801	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000061834759	373729169	/nfs/dbraw/zinc/72/91/69/373729169.db2.gz	WIBLSJOGLUKSDR-QMMMGPOBSA-N	-1	0	292.360	2.548	20	30		CFEDRM
CC(C)[C@H](Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000061845361	373733319	/nfs/dbraw/zinc/73/33/19/373733319.db2.gz	GVAQHXNKGBAPGR-NSHDSACASA-N	-1	0	252.701	2.733	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1	ZINC000075912370	374512706	/nfs/dbraw/zinc/51/27/06/374512706.db2.gz	HUUKAEMNSLVUMT-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000097261717	375546185	/nfs/dbraw/zinc/54/61/85/375546185.db2.gz	JSFXDGDDAYLTKL-LLVKDONJSA-N	-1	0	279.299	2.965	20	30		CFEDRM
N#Cc1ccc([N+](=O)[O-])c(NCCCCCC(=O)[O-])c1	ZINC000124575794	377064938	/nfs/dbraw/zinc/06/49/38/377064938.db2.gz	FWFGISFZLMMYBU-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
C[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[nH]2)[C@H]1C	ZINC000329902223	378510756	/nfs/dbraw/zinc/51/07/56/378510756.db2.gz	HNFJSVACXSKWOH-VGMNWLOBSA-N	-1	0	254.355	2.978	20	30		CFEDRM
N#CCC1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1	ZINC000334141960	378897050	/nfs/dbraw/zinc/89/70/50/378897050.db2.gz	KYOIUMGIXRHPEQ-UHFFFAOYSA-N	-1	0	298.264	2.575	20	30		CFEDRM
Cc1ncccc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000171419227	379303013	/nfs/dbraw/zinc/30/30/13/379303013.db2.gz	QLHKZSDMYOMZGE-GQCTYLIASA-N	-1	0	265.272	2.525	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC[C@H]2C)[n-]1	ZINC000335605434	379592281	/nfs/dbraw/zinc/59/22/81/379592281.db2.gz	RFXKXXFNYBVWKA-DGCLKSJQSA-N	-1	0	274.368	2.522	20	30		CFEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1Cl	ZINC000334770845	379919837	/nfs/dbraw/zinc/91/98/37/379919837.db2.gz	UKALBGYAEKSWSA-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCC1	ZINC000335255310	380091402	/nfs/dbraw/zinc/09/14/02/380091402.db2.gz	FKGWISOLEJBPQG-UHFFFAOYSA-N	-1	0	282.702	2.608	20	30		CFEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000336265220	380302572	/nfs/dbraw/zinc/30/25/72/380302572.db2.gz	AEUPROZOWYMTSY-INWYIAFRSA-N	-1	0	268.675	2.673	20	30		CFEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000336290489	380310337	/nfs/dbraw/zinc/31/03/37/380310337.db2.gz	LQRPLQMVHSTRCO-QTTZVWFDSA-N	-1	0	268.675	2.673	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC000336615902	380553947	/nfs/dbraw/zinc/55/39/47/380553947.db2.gz	RSFIIFPJAVHKLH-JTQLQIEISA-N	-1	0	267.275	2.851	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1C#N	ZINC000181147659	380747890	/nfs/dbraw/zinc/74/78/90/380747890.db2.gz	IVAIOVPIBMJJAC-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1ccc(-c2nc(NC(=O)C3(C#N)CCCCC3)n[nH]2)o1	ZINC000181873903	380924738	/nfs/dbraw/zinc/92/47/38/380924738.db2.gz	OUFZLENGJWZEFX-UHFFFAOYSA-N	-1	0	299.334	2.786	20	30		CFEDRM
CC(C)(C#N)C(=O)N=c1cc(-c2cc3ccccc3o2)[n-][nH]1	ZINC000368960887	381170088	/nfs/dbraw/zinc/17/00/88/381170088.db2.gz	RVXKNDQYPQTNPT-UHFFFAOYSA-N	-1	0	294.314	2.733	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1cc(Cl)ccc1[O-]	ZINC000342040667	381207822	/nfs/dbraw/zinc/20/78/22/381207822.db2.gz	ALUVSGVTTGZEIH-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
CSCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354455895	381281304	/nfs/dbraw/zinc/28/13/04/381281304.db2.gz	BNUWQLWXOMKBHP-ZDUSSCGKSA-N	-1	0	283.356	2.830	20	30		CFEDRM
C=CCCc1noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n1	ZINC000296231039	381311889	/nfs/dbraw/zinc/31/18/89/381311889.db2.gz	AJNKSQRKHBHWDN-VIFPVBQESA-N	-1	0	291.273	2.564	20	30		CFEDRM
C=CCC1(CNC(=O)CC(C)(C)C(=O)[O-])CCCC1	ZINC000414084892	381558492	/nfs/dbraw/zinc/55/84/92/381558492.db2.gz	FXHBTHRYSXUQIC-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#CCO[N-]C(=O)C(C)(C)c1ccc(OCC(C)C)cc1	ZINC000291170306	381694560	/nfs/dbraw/zinc/69/45/60/381694560.db2.gz	DMKPDIBABSFYPS-UHFFFAOYSA-N	-1	0	289.375	2.680	20	30		CFEDRM
CCCOc1ccccc1[N-]S(=O)(=O)[C@H](C#N)CC	ZINC000360211997	381771808	/nfs/dbraw/zinc/77/18/08/381771808.db2.gz	LEDZLOJJYVYIPS-NSHDSACASA-N	-1	0	282.365	2.519	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C\c2ccc(C#N)cn2)cc1)C(=O)[O-]	ZINC000349104543	381824683	/nfs/dbraw/zinc/82/46/83/381824683.db2.gz	FLTIIWXENBGXIK-DWMUBGRBSA-N	-1	0	294.310	2.976	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nccc2ccccc21	ZINC000361843123	381868072	/nfs/dbraw/zinc/86/80/72/381868072.db2.gz	OJMQDBHGPKNXKK-MRXNPFEDSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C=C(CNC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1	ZINC000349692500	381984348	/nfs/dbraw/zinc/98/43/48/381984348.db2.gz	JOXXYTBFUAOJHV-UHFFFAOYSA-N	-1	0	294.358	2.611	20	30		CFEDRM
C=CCCCCNC(=O)N=c1[n-]nc(CCCC)s1	ZINC000352331230	382276643	/nfs/dbraw/zinc/27/66/43/382276643.db2.gz	OILOQUCMXHQKGN-UHFFFAOYSA-N	-1	0	282.413	2.780	20	30		CFEDRM
CCc1ccc(O)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188596305	382441353	/nfs/dbraw/zinc/44/13/53/382441353.db2.gz	RDLSUKDNKACDLR-UHFFFAOYSA-N	-1	0	282.299	2.784	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1[O-]	ZINC000188423008	382411390	/nfs/dbraw/zinc/41/13/90/382411390.db2.gz	SQLTXDXXPGJJEH-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1[O-]	ZINC000188439106	382413848	/nfs/dbraw/zinc/41/38/48/382413848.db2.gz	YNLUFNVMDOQLMB-UHFFFAOYSA-N	-1	0	281.246	2.527	20	30		CFEDRM
CN1CCc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc21	ZINC000188765160	382471816	/nfs/dbraw/zinc/47/18/16/382471816.db2.gz	ITJCGJWKWMJKSU-UHFFFAOYSA-N	-1	0	293.326	2.508	20	30		CFEDRM
Cc1cc(F)cc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188938298	382508724	/nfs/dbraw/zinc/50/87/24/382508724.db2.gz	FKUGRRQSGVDODR-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCC1(CC)CCCC1)C(=O)[O-]	ZINC000316452528	382530345	/nfs/dbraw/zinc/53/03/45/382530345.db2.gz	LUGIOSHKDZGSCG-GFCCVEGCSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=C[C@@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1	ZINC000190576665	382673988	/nfs/dbraw/zinc/67/39/88/382673988.db2.gz	TZTPVZQONZIISI-ZDUSSCGKSA-N	-1	0	287.359	2.860	20	30		CFEDRM
N#CC(=C([O-])c1cccnc1)c1nc2ccccc2o1	ZINC000193280762	382717906	/nfs/dbraw/zinc/71/79/06/382717906.db2.gz	USTHEKSXOZMVTJ-NSHDSACASA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000191041792	382689013	/nfs/dbraw/zinc/68/90/13/382689013.db2.gz	IKIBOXFMUAIPNH-GUYCJALGSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCCN(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000448010590	383039058	/nfs/dbraw/zinc/03/90/58/383039058.db2.gz	NKWNQPDKVMZEND-UHFFFAOYSA-N	-1	0	294.405	2.728	20	30		CFEDRM
C=CCCCNC(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000448523964	383063106	/nfs/dbraw/zinc/06/31/06/383063106.db2.gz	CLHNKQUUUDRJAA-UHFFFAOYSA-N	-1	0	299.374	2.836	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc(C)c2)n1	ZINC000448541627	383063995	/nfs/dbraw/zinc/06/39/95/383063995.db2.gz	GKHIGBCRANILIP-NSHDSACASA-N	-1	0	257.318	2.645	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)CC1(C(=O)[O-])CCCCC1	ZINC000554403400	383134018	/nfs/dbraw/zinc/13/40/18/383134018.db2.gz	KWTFCXCHIXFINC-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
Cc1c(C#N)c(NCCC(C)(C)C(=O)[O-])nc2ccccc12	ZINC000424373172	383205072	/nfs/dbraw/zinc/20/50/72/383205072.db2.gz	JANZHEYKCYOBLX-UHFFFAOYSA-N	-1	0	297.358	2.750	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(CCC)[C@H](C)C(=O)[O-]	ZINC000562647685	383161249	/nfs/dbraw/zinc/16/12/49/383161249.db2.gz	HGJCORISWHJSCJ-NWDGAFQWSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634907278	383399184	/nfs/dbraw/zinc/39/91/84/383399184.db2.gz	IYDGTXDRHLLOSQ-AWEZNQCLSA-N	-1	0	281.377	2.515	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634907279	383399321	/nfs/dbraw/zinc/39/93/21/383399321.db2.gz	IYDGTXDRHLLOSQ-CQSZACIVSA-N	-1	0	281.377	2.515	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634927564	383407361	/nfs/dbraw/zinc/40/73/61/383407361.db2.gz	SQSGOXIZDQTOIT-BARDWOONSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000634939540	383412874	/nfs/dbraw/zinc/41/28/74/383412874.db2.gz	KJBCARHENPVZAH-KBPBESRZSA-N	-1	0	273.332	2.707	20	30		CFEDRM
O=C([O-])CC1(CC(=O)NCC#Cc2ccccc2)CCCC1	ZINC000634856066	383383597	/nfs/dbraw/zinc/38/35/97/383383597.db2.gz	DQHGBLGPTUNTLN-UHFFFAOYSA-N	-1	0	299.370	2.580	20	30		CFEDRM
CC1=C(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CCC(C)(C)C1	ZINC000569314074	383487096	/nfs/dbraw/zinc/48/70/96/383487096.db2.gz	BEUJGLCEJVVMQD-UHFFFAOYSA-N	-1	0	283.335	2.618	20	30		CFEDRM
C=CC[N@@H+](Cc1cc(C(=O)[O-])nn1C)CC1CCCCC1	ZINC000635303265	383528244	/nfs/dbraw/zinc/52/82/44/383528244.db2.gz	SGPJNIGCOUFWCG-UHFFFAOYSA-N	-1	0	291.395	2.687	20	30		CFEDRM
Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1	ZINC000430643955	383595655	/nfs/dbraw/zinc/59/56/55/383595655.db2.gz	SMZCSZZCYPGQPQ-JTQLQIEISA-N	-1	0	288.376	2.664	20	30		CFEDRM
C=C(C)CNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000570813414	383638221	/nfs/dbraw/zinc/63/82/21/383638221.db2.gz	FRRMHOGWAIQBBL-UHFFFAOYSA-N	-1	0	259.227	2.717	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000570605785	383618892	/nfs/dbraw/zinc/61/88/92/383618892.db2.gz	ONLTUDJEBISUCW-CQSZACIVSA-N	-1	0	290.363	2.638	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000572259751	383768357	/nfs/dbraw/zinc/76/83/57/383768357.db2.gz	NJOCZBIYKRASDH-UHFFFAOYSA-N	-1	0	284.718	2.949	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2ccoc2)n1	ZINC000434615605	383769920	/nfs/dbraw/zinc/76/99/20/383769920.db2.gz	MZJDBXKZGWQZET-SNVBAGLBSA-N	-1	0	298.327	2.925	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000645267914	383661966	/nfs/dbraw/zinc/66/19/66/383661966.db2.gz	ISBJOKVQYNMXCV-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)s2)c1	ZINC000436679936	383871912	/nfs/dbraw/zinc/87/19/12/383871912.db2.gz	LRXJSANMKNMKDX-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
N#C[C@@H](CO)Cc1cccc(-c2cccc(C(=O)[O-])c2)c1	ZINC000573449150	383932963	/nfs/dbraw/zinc/93/29/63/383932963.db2.gz	PYUQBAXHSNSBRM-ZDUSSCGKSA-N	-1	0	281.311	2.726	20	30		CFEDRM
C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(C#N)cc1	ZINC000436759804	383890636	/nfs/dbraw/zinc/89/06/36/383890636.db2.gz	GRVJECQJNSRDQX-SNVBAGLBSA-N	-1	0	284.290	2.894	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)CC2(C#N)CC2)c1	ZINC000646518167	384019337	/nfs/dbraw/zinc/01/93/37/384019337.db2.gz	NIFOWHHSPQQNHT-UHFFFAOYSA-N	-1	0	272.304	2.617	20	30		CFEDRM
CC(C)c1noc(=N[C@@H]2CCCc3cc(C#N)ccc32)[n-]1	ZINC000574142912	384049152	/nfs/dbraw/zinc/04/91/52/384049152.db2.gz	CPABZYQUAIDBFP-CQSZACIVSA-N	-1	0	282.347	2.976	20	30		CFEDRM
C=C(C)CCN=c1[n-]nc(-c2ccc(OC)cc2)o1	ZINC000641635675	384248545	/nfs/dbraw/zinc/24/85/45/384248545.db2.gz	TYXWNGLRQMKRHR-UHFFFAOYSA-N	-1	0	259.309	2.545	20	30		CFEDRM
CSc1nc(=NC(=O)N2CCC(C)=C(C)C2)s[n-]1	ZINC000330357571	533090645	/nfs/dbraw/zinc/09/06/45/533090645.db2.gz	SYJUPEBTRUZIDW-UHFFFAOYSA-N	-1	0	284.410	2.848	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]OCCSC)c1ccccc1	ZINC000280129171	384896072	/nfs/dbraw/zinc/89/60/72/384896072.db2.gz	WKHQHKITMIIFAV-CYBMUJFWSA-N	-1	0	265.378	2.757	20	30		CFEDRM
C[C@H]1C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271260075	385378582	/nfs/dbraw/zinc/37/85/82/385378582.db2.gz	IIVZOXZQLCRWEY-ALNRQSLMSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C=C(C)[C@H](NC(=O)CCC(=O)[O-])c1ccc(F)c(F)c1	ZINC000186827765	260012858	/nfs/dbraw/zinc/01/28/58/260012858.db2.gz	YNZMBHHURDORIR-AWEZNQCLSA-N	-1	0	283.274	2.563	20	30		CFEDRM
C=CCCOCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000682620820	542572783	/nfs/dbraw/zinc/57/27/83/542572783.db2.gz	JNKVIYLGHQXGIS-UHFFFAOYSA-N	-1	0	277.320	2.533	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ncccc2[O-])c1	ZINC000171271798	335061420	/nfs/dbraw/zinc/06/14/20/335061420.db2.gz	HYQQRIYKHXJFLH-UHFFFAOYSA-N	-1	0	270.288	2.604	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000192876452	533531768	/nfs/dbraw/zinc/53/17/68/533531768.db2.gz	PBHHNWKYDNVGSD-GFCCVEGCSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1	ZINC000237992604	131070901	/nfs/dbraw/zinc/07/09/01/131070901.db2.gz	IDLZGUFMIBEWSP-UHFFFAOYSA-N	-1	0	277.320	2.835	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])C(C)C)c1ccccc1	ZINC000262819030	131264797	/nfs/dbraw/zinc/26/47/97/131264797.db2.gz	VQCTZEXUGWAEJB-ZDUSSCGKSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCC1(C(=O)NCCCCCCC(=O)[O-])CCC1	ZINC000263162578	131284292	/nfs/dbraw/zinc/28/42/92/131284292.db2.gz	OXUKABYOMOVKDB-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])c1ccccc1	ZINC000263161403	131284352	/nfs/dbraw/zinc/28/43/52/131284352.db2.gz	OSTJTKDKTLRXBC-GFCCVEGCSA-N	-1	0	261.321	2.707	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000263256502	131287728	/nfs/dbraw/zinc/28/77/28/131287728.db2.gz	INHXAXDIKCUGHP-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C(C)[C@H](N=c1[n-]nc(C)o1)c1ccc(F)c(F)c1	ZINC000342885836	393873108	/nfs/dbraw/zinc/87/31/08/393873108.db2.gz	VKXSETRYUGZDAD-LBPRGKRZSA-N	-1	0	265.263	2.807	20	30		CFEDRM
C=C(C)Cn1c(CC2CC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000460395437	393889359	/nfs/dbraw/zinc/88/93/59/393889359.db2.gz	SUUUQWPYADZGSP-UHFFFAOYSA-N	-1	0	298.390	2.981	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1c(C)cccc1SC	ZINC000416949032	393946938	/nfs/dbraw/zinc/94/69/38/393946938.db2.gz	CSLXRURPUDWDAT-JTQLQIEISA-N	-1	0	284.406	2.761	20	30		CFEDRM
N#CCc1cccc(NCc2cc(=O)[nH]c(C3CC3)n2)c1	ZINC000417045783	393947047	/nfs/dbraw/zinc/94/70/47/393947047.db2.gz	VLLJPMOOIYQTRU-UHFFFAOYSA-N	-1	0	280.331	2.738	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1cc2ccccc2o1	ZINC000121675320	393958654	/nfs/dbraw/zinc/95/86/54/393958654.db2.gz	XKSMTESPAZGLNK-GFCCVEGCSA-N	-1	0	292.360	2.649	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436813010	394022926	/nfs/dbraw/zinc/02/29/26/394022926.db2.gz	CLCUTDYXNRVURC-IWQZZHSRSA-N	-1	0	267.244	2.737	20	30		CFEDRM
N#Cc1cc(NC(=O)c2ccc(F)cc2[O-])ccc1F	ZINC000123672114	393985359	/nfs/dbraw/zinc/98/53/59/393985359.db2.gz	JQNOTAQXUDFDCT-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(O)c(C(=O)[O-])c2)nc1	ZINC000436826933	394025072	/nfs/dbraw/zinc/02/50/72/394025072.db2.gz	CDCDCWBUHZJBAX-RJRFIUFISA-N	-1	0	266.256	2.527	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000519708268	394376016	/nfs/dbraw/zinc/37/60/16/394376016.db2.gz	UIBHOXGXNRFABI-WOPDTQHZSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000685020035	542888341	/nfs/dbraw/zinc/88/83/41/542888341.db2.gz	LYTJJKRBDVAIPM-GWCFXTLKSA-N	-1	0	279.311	2.670	20	30		CFEDRM
CSc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1	ZINC000647185993	395209115	/nfs/dbraw/zinc/20/91/15/395209115.db2.gz	ZJRCLGUDJPRHTF-LLVKDONJSA-N	-1	0	298.371	2.700	20	30		CFEDRM
Cn1c(C#N)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647380039	395320828	/nfs/dbraw/zinc/32/08/28/395320828.db2.gz	FFRUFDUCAVTOLD-LLVKDONJSA-N	-1	0	296.355	2.721	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1	ZINC000647377935	395320847	/nfs/dbraw/zinc/32/08/47/395320847.db2.gz	BMJKQQDUHKHSIU-NSHDSACASA-N	-1	0	286.360	2.727	20	30		CFEDRM
N#CC(=C([O-])c1cnn2c1CCC2)c1nc(C2CC2)cs1	ZINC000647380029	395320929	/nfs/dbraw/zinc/32/09/29/395320929.db2.gz	DQNRMIYRXVDJSF-JTQLQIEISA-N	-1	0	298.371	2.653	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc(C2CC2)cs1	ZINC000647377842	395321034	/nfs/dbraw/zinc/32/10/34/395321034.db2.gz	WNGQTEVADISERK-MRVPVSSYSA-N	-1	0	275.358	2.967	20	30		CFEDRM
CCc1nc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)s1	ZINC000356468009	155274403	/nfs/dbraw/zinc/27/44/03/155274403.db2.gz	DSOSKTLPWZVBMZ-UHFFFAOYSA-N	-1	0	287.344	2.844	20	30		CFEDRM
Cc1sc(/C=C\c2nc(C#N)cs2)nc1C(=O)[O-]	ZINC000357074450	155491750	/nfs/dbraw/zinc/49/17/50/155491750.db2.gz	MLAXJHPYTHFVAE-IHWYPQMZSA-N	-1	0	277.330	2.648	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000345146839	162187155	/nfs/dbraw/zinc/18/71/55/162187155.db2.gz	HWGFHFDJXGPJIM-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1cc(NC(=O)C#Cc2ccccc2)sc1C(=O)[O-]	ZINC000035199841	172044992	/nfs/dbraw/zinc/04/49/92/172044992.db2.gz	XIBCHTZANUGHJA-UHFFFAOYSA-N	-1	0	285.324	2.745	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1	ZINC000035426530	172193941	/nfs/dbraw/zinc/19/39/41/172193941.db2.gz	AIJBGMYOUDYNJS-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000654810463	414004119	/nfs/dbraw/zinc/00/41/19/414004119.db2.gz	YLYMEJTXTPUMDK-LBPRGKRZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C#N)c(C(F)(F)F)c1	ZINC000037330191	173130856	/nfs/dbraw/zinc/13/08/56/173130856.db2.gz	WDJWQGXEIZJYMN-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000659165934	414460699	/nfs/dbraw/zinc/46/06/99/414460699.db2.gz	CFJWGAZEWLBQHK-WCQYABFASA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000659170164	414461344	/nfs/dbraw/zinc/46/13/44/414461344.db2.gz	QMPYKZZORDXTPR-GFCCVEGCSA-N	-1	0	273.332	2.813	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000659244184	414477437	/nfs/dbraw/zinc/47/74/37/414477437.db2.gz	VKZRHQIGWJDVJX-UHFFFAOYSA-N	-1	0	261.321	2.859	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659244170	414477519	/nfs/dbraw/zinc/47/75/19/414477519.db2.gz	TWQYGVZHVHABBN-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)CN(CC)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655906175	414489732	/nfs/dbraw/zinc/48/97/32/414489732.db2.gz	AHOMXJOSXAPBNK-FRRDWIJNSA-N	-1	0	296.411	2.729	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1	ZINC000659409566	414516840	/nfs/dbraw/zinc/51/68/40/414516840.db2.gz	QCZHVROQSZVFNR-KBPBESRZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1	ZINC000040215622	174204839	/nfs/dbraw/zinc/20/48/39/174204839.db2.gz	QEOMJLVKJQVKNC-UHFFFAOYSA-N	-1	0	286.331	2.922	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000663120118	414653493	/nfs/dbraw/zinc/65/34/93/414653493.db2.gz	RSFFKDRUHGRXGI-LLVKDONJSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000312478820	260087221	/nfs/dbraw/zinc/08/72/21/260087221.db2.gz	LLPFBRGUUGFWHC-UHFFFAOYSA-N	-1	0	284.400	2.779	20	30		CFEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1C[C@H]1C1CC1	ZINC000329116013	227307879	/nfs/dbraw/zinc/30/78/79/227307879.db2.gz	TUXFWHIKMJENQB-RYUDHWBXSA-N	-1	0	284.319	2.811	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)C2CCCCC2)c1	ZINC000067952252	260254471	/nfs/dbraw/zinc/25/44/71/260254471.db2.gz	CMSQHFBBELRLCQ-WNLSXJKCSA-N	-1	0	292.335	2.661	20	30		CFEDRM
CO[C@]1(C)C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000080714870	260318793	/nfs/dbraw/zinc/31/87/93/260318793.db2.gz	HPKADPVALUCVDY-PBKRQMHWSA-N	-1	0	292.335	2.923	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513554	260662048	/nfs/dbraw/zinc/66/20/48/260662048.db2.gz	RYVNGUBXCDFQCT-UHFFFAOYSA-N	-1	0	281.377	2.962	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)o1	ZINC000049513682	260662075	/nfs/dbraw/zinc/66/20/75/260662075.db2.gz	DDYPBCGGQOZEOM-UHFFFAOYSA-N	-1	0	271.338	2.555	20	30		CFEDRM
CC1(C)C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000124153680	260744764	/nfs/dbraw/zinc/74/47/64/260744764.db2.gz	MGWQHUGYXMGQJY-BTAWCLGRSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC(C)(C)c1[n-]n(Cc2nccs2)c(=O)c1CCC#N	ZINC000153462930	261078859	/nfs/dbraw/zinc/07/88/59/261078859.db2.gz	WLZHWBPQFTYXMI-UHFFFAOYSA-N	-1	0	290.392	2.847	20	30		CFEDRM
COc1cc(-c2cc(C)cc(C(=O)[O-])c2)ncc1C#N	ZINC001243176446	782037252	/nfs/dbraw/zinc/03/72/52/782037252.db2.gz	BKKIGPVUMYTLGT-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CCCCCCCC(=O)NCCc1nc(C(=O)[O-])cs1	ZINC000117504647	262048477	/nfs/dbraw/zinc/04/84/77/262048477.db2.gz	QUFVJRGJUGFBTH-UHFFFAOYSA-N	-1	0	298.408	2.861	20	30		CFEDRM
COCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000353416750	263020907	/nfs/dbraw/zinc/02/09/07/263020907.db2.gz	PRXZLAXIOJNKPU-MRVPVSSYSA-N	-1	0	293.373	2.545	20	30		CFEDRM
CC(C)(O)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000274861116	263031075	/nfs/dbraw/zinc/03/10/75/263031075.db2.gz	SXAFVYGRGTXDSM-VGOFMYFVSA-N	-1	0	286.715	2.534	20	30		CFEDRM
CC(C)(C#N)CC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000283506125	263083131	/nfs/dbraw/zinc/08/31/31/263083131.db2.gz	RNPGVTBCJOVBJN-UHFFFAOYSA-N	-1	0	275.333	2.995	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000120217044	263283969	/nfs/dbraw/zinc/28/39/69/263283969.db2.gz	GQZNNSSTIGGIHF-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCN(C)C(=O)N=c1[n-]nc(-c2ccccc2)s1	ZINC000341487056	263339293	/nfs/dbraw/zinc/33/92/93/263339293.db2.gz	YFPGLAVAOVNMGG-UHFFFAOYSA-N	-1	0	288.376	2.667	20	30		CFEDRM
CCC(CC)/N=C(/[O-])c1cnc2scc(C)n2c1=O	ZINC000330510246	263956429	/nfs/dbraw/zinc/95/64/29/263956429.db2.gz	DKGXYYNUMBVWEC-UHFFFAOYSA-N	-1	0	279.365	2.558	20	30		CFEDRM
CC(C)(C)c1nc(=NC(=O)NC[C@H]2CC=CCC2)s[n-]1	ZINC000330836548	264051455	/nfs/dbraw/zinc/05/14/55/264051455.db2.gz	WLNHBMZTTTVJFJ-JTQLQIEISA-N	-1	0	294.424	2.940	20	30		CFEDRM
CCn1nc(C)c(NC(=O)c2ncc(C)cc2[O-])c1C	ZINC000331216413	264164131	/nfs/dbraw/zinc/16/41/31/264164131.db2.gz	VWONDJVZHMWUBT-UHFFFAOYSA-N	-1	0	274.324	2.565	20	30		CFEDRM
CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C)C2)s1	ZINC000331266329	264167074	/nfs/dbraw/zinc/16/70/74/264167074.db2.gz	CFUQHZSHGPZZND-VHSXEESVSA-N	-1	0	282.413	2.673	20	30		CFEDRM
O=C(N[C@@H](CO)CC1CCCC1)c1cc(F)c([O-])c(F)c1	ZINC000331250423	264181217	/nfs/dbraw/zinc/18/12/17/264181217.db2.gz	YYZYLQCOBWUEJQ-LLVKDONJSA-N	-1	0	299.317	2.916	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCOCC1	ZINC000424896162	264369966	/nfs/dbraw/zinc/36/99/66/264369966.db2.gz	QLHQGACYJZKQCV-UHFFFAOYSA-N	-1	0	297.301	2.982	20	30		CFEDRM
O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)F	ZINC000096348860	264799404	/nfs/dbraw/zinc/79/94/04/264799404.db2.gz	DQWBFPODUOLWNF-UHFFFAOYSA-N	-1	0	295.182	2.735	20	30		CFEDRM
C=CCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-]	ZINC000362537634	267003872	/nfs/dbraw/zinc/00/38/72/267003872.db2.gz	LOVOBEXFILZVPU-ZDUSSCGKSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(CCCC)s1	ZINC000362938152	267064479	/nfs/dbraw/zinc/06/44/79/267064479.db2.gz	JCPNAPBBQABXQM-NSHDSACASA-N	-1	0	294.424	2.875	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nc2ccccc2o1	ZINC000361119405	268048555	/nfs/dbraw/zinc/04/85/55/268048555.db2.gz	IOSJPQVAZUJAFH-LBPRGKRZSA-N	-1	0	288.266	2.585	20	30		CFEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C#N)o3)nc21	ZINC000429660372	268060153	/nfs/dbraw/zinc/06/01/53/268060153.db2.gz	NNHUROODAWDUJM-LLVKDONJSA-N	-1	0	290.282	2.826	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000262721653	277822828	/nfs/dbraw/zinc/82/28/28/277822828.db2.gz	FECMZDSFAMGEKQ-BBRMVZONSA-N	-1	0	279.380	2.905	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc2cc[nH]c21	ZINC000082345739	280547051	/nfs/dbraw/zinc/54/70/51/280547051.db2.gz	FOWWLCUPRGXXGT-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
Cc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188208265	280860626	/nfs/dbraw/zinc/86/06/26/280860626.db2.gz	MUCMWMYPILOPJQ-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@H](C)CC2)[n-]1	ZINC000565046548	290262767	/nfs/dbraw/zinc/26/27/67/290262767.db2.gz	KRBDNKLEBFMKDH-HAQNSBGRSA-N	-1	0	274.368	2.522	20	30		CFEDRM
Cc1ccc(-c2ccc(C#N)c(F)n2)cc1C(=O)[O-]	ZINC001243193419	782054667	/nfs/dbraw/zinc/05/46/67/782054667.db2.gz	FPVMNIZDGPQLKD-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(C)c(C(=O)[O-])c2)c1	ZINC001243194598	782055516	/nfs/dbraw/zinc/05/55/16/782055516.db2.gz	DIYYBRCCNSMEHA-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2ccc(C)c(C(=O)[O-])c2)nc1C#N	ZINC001243196211	782057823	/nfs/dbraw/zinc/05/78/23/782057823.db2.gz	RHWRZQZIKXTFTO-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1ccsc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000359294897	295426892	/nfs/dbraw/zinc/42/68/92/295426892.db2.gz	AYDAJHYLBUDDBS-PLNGDYQASA-N	-1	0	286.312	2.892	20	30		CFEDRM
C[C@H](CC1CCCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000114537219	298360450	/nfs/dbraw/zinc/36/04/50/298360450.db2.gz	AHOVLSSPSXSYHI-SNVBAGLBSA-N	-1	0	285.351	2.698	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])cc2C)c(F)cc1C#N	ZINC001243203029	782063671	/nfs/dbraw/zinc/06/36/71/782063671.db2.gz	OQGGPXRMRHJWEU-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@H](C(=O)[O-])C1	ZINC000262145358	303203725	/nfs/dbraw/zinc/20/37/25/303203725.db2.gz	QIRMMFDFOCLJID-JTQLQIEISA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)nc1	ZINC001243203890	782064391	/nfs/dbraw/zinc/06/43/91/782064391.db2.gz	QHJAFEXRBMRRGL-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N1CCCC12CCCCC2	ZINC000330271581	304820052	/nfs/dbraw/zinc/82/00/52/304820052.db2.gz	WDCHHWVDLWPSNX-UHFFFAOYSA-N	-1	0	266.370	2.882	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])c(C)c2)c(F)cc1C#N	ZINC001243210924	782072284	/nfs/dbraw/zinc/07/22/84/782072284.db2.gz	DLGOASBXTDHXGR-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1cc(-c2ccc3ncc(C#N)n3c2)ccc1C(=O)[O-]	ZINC001243214265	782075413	/nfs/dbraw/zinc/07/54/13/782075413.db2.gz	CBIJUGXRXCNUPN-UHFFFAOYSA-N	-1	0	277.283	2.880	20	30		CFEDRM
Cc1cc(-c2ccnc(CC#N)c2)ccc1C(=O)[O-]	ZINC001243214308	782075250	/nfs/dbraw/zinc/07/52/50/782075250.db2.gz	DJDULUARFQEFFQ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(-c2ccnc(C)c2C#N)ccc1C(=O)[O-]	ZINC001243216755	782077789	/nfs/dbraw/zinc/07/77/89/782077789.db2.gz	JZRDXFZUNJDZIJ-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000310641612	328080953	/nfs/dbraw/zinc/08/09/53/328080953.db2.gz	BSELXDDNWSNZLV-UHFFFAOYSA-N	-1	0	250.254	2.671	20	30		CFEDRM
N#CCc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1	ZINC000571203252	328092230	/nfs/dbraw/zinc/09/22/30/328092230.db2.gz	SBVKPVNCHFJXLC-UHFFFAOYSA-N	-1	0	270.361	2.516	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(C(C)(C)C)c2)c1C#N	ZINC000573505969	322659073	/nfs/dbraw/zinc/65/90/73/322659073.db2.gz	NMLVTELIWRMQQV-UHFFFAOYSA-N	-1	0	282.347	2.562	20	30		CFEDRM
C=CCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000575319582	335092992	/nfs/dbraw/zinc/09/29/92/335092992.db2.gz	XHLYMXYZHXXXKU-UHFFFAOYSA-N	-1	0	264.281	2.980	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1[O-]	ZINC000188330697	324012886	/nfs/dbraw/zinc/01/28/86/324012886.db2.gz	XHFFKAQRDQIFGZ-UHFFFAOYSA-N	-1	0	296.301	2.996	20	30		CFEDRM
Cc1c(Cl)cnc(N2CCC[C@H](CC(=O)[O-])C2)c1C#N	ZINC000577830692	324783775	/nfs/dbraw/zinc/78/37/75/324783775.db2.gz	VFFJBBQGQYCYOR-SNVBAGLBSA-N	-1	0	293.754	2.606	20	30		CFEDRM
CCc1cnc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)s1	ZINC000583850180	325314680	/nfs/dbraw/zinc/31/46/80/325314680.db2.gz	ITWPOBRZXMDXOL-YVMONPNESA-N	-1	0	286.360	2.529	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000398202894	326874669	/nfs/dbraw/zinc/87/46/69/326874669.db2.gz	GCZAJRYHYPLDLB-AGIUHOORSA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000263517570	327074259	/nfs/dbraw/zinc/07/42/59/327074259.db2.gz	FMEGLPWTPFQHJS-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1	ZINC000263551934	327080062	/nfs/dbraw/zinc/08/00/62/327080062.db2.gz	WXGMUXSWIKFUFQ-NSHDSACASA-N	-1	0	261.321	2.859	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000558807032	327121661	/nfs/dbraw/zinc/12/16/61/327121661.db2.gz	FNIARDDSZDDVIB-MYJAWHEDSA-N	-1	0	285.438	2.606	20	30		CFEDRM
CC(C)[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC000107098949	327247822	/nfs/dbraw/zinc/24/78/22/327247822.db2.gz	IKBNDCWVMCHXQI-WYWPZMPRSA-N	-1	0	289.162	2.628	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000261856082	327457027	/nfs/dbraw/zinc/45/70/27/327457027.db2.gz	XIGUUGLGPBUVEW-CYBMUJFWSA-N	-1	0	282.384	2.629	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncc(C#N)cc2C)n1	ZINC000584366217	329113387	/nfs/dbraw/zinc/11/33/87/329113387.db2.gz	KBALGMVQTCMOJO-NSHDSACASA-N	-1	0	282.328	2.517	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](CCCC)C(=O)[O-]	ZINC000398224897	329440336	/nfs/dbraw/zinc/44/03/36/329440336.db2.gz	POKWLMDEOILPQW-RYUDHWBXSA-N	-1	0	270.373	2.674	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000262793541	330031860	/nfs/dbraw/zinc/03/18/60/330031860.db2.gz	CAONXXRGIVUFBX-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000262811769	330033138	/nfs/dbraw/zinc/03/31/38/330033138.db2.gz	DMMOFAUOVYCOKW-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000262818608	330034076	/nfs/dbraw/zinc/03/40/76/330034076.db2.gz	DVLIDRQRBWEBGT-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sc(CCC)nc1C)C(=O)[O-]	ZINC000262945060	330037424	/nfs/dbraw/zinc/03/74/24/330037424.db2.gz	QEPZNVHOBFOGDU-JTQLQIEISA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)C1CCCC1)C(=O)[O-]	ZINC000262995124	330038226	/nfs/dbraw/zinc/03/82/26/330038226.db2.gz	VSDVEZKIYRXKJQ-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1ccc(C)cc1C)C(=O)[O-]	ZINC000263012993	330038764	/nfs/dbraw/zinc/03/87/64/330038764.db2.gz	XICUDUZWQNYPDY-HNNXBMFYSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC000263221538	330049714	/nfs/dbraw/zinc/04/97/14/330049714.db2.gz	QUEKQNJJBFTDRH-MEDUHNTESA-N	-1	0	293.338	2.844	20	30		CFEDRM
C=C[C@@H](CC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccccc1	ZINC000263261086	330051083	/nfs/dbraw/zinc/05/10/83/330051083.db2.gz	MKPZCGXWEOHPGC-OLZOCXBDSA-N	-1	0	287.359	2.810	20	30		CFEDRM
C=CCCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000263342770	330052635	/nfs/dbraw/zinc/05/26/35/330052635.db2.gz	FTRDAWDDYWOPIZ-CYBMUJFWSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)NCCCC(=O)[O-]	ZINC000263488954	330057622	/nfs/dbraw/zinc/05/76/22/330057622.db2.gz	QKDZXDCFRUVRMK-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263507120	330058341	/nfs/dbraw/zinc/05/83/41/330058341.db2.gz	XKOLVWIYCIDKFB-CQSZACIVSA-N	-1	0	288.347	2.635	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000263514567	330058656	/nfs/dbraw/zinc/05/86/56/330058656.db2.gz	DIQCEEMIFXQBJW-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CCCC1	ZINC000451509919	331031958	/nfs/dbraw/zinc/03/19/58/331031958.db2.gz	XHVMGRFASKISEE-SNVBAGLBSA-N	-1	0	295.408	2.742	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(O)c(F)c1F	ZINC000456782827	331203513	/nfs/dbraw/zinc/20/35/13/331203513.db2.gz	KPFKOQNERGZUKQ-AWEZNQCLSA-N	-1	0	285.290	2.838	20	30		CFEDRM
C=CCCC[C@H](C)Sc1n[n-]c(=NCCOC)s1	ZINC000462367414	331320710	/nfs/dbraw/zinc/32/07/10/331320710.db2.gz	BUIGRKLUZTWSJL-JTQLQIEISA-N	-1	0	287.454	2.855	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000467839410	331424407	/nfs/dbraw/zinc/42/44/07/331424407.db2.gz	OLAQSBLDPWVDAQ-UHFFFAOYSA-N	-1	0	279.409	2.964	20	30		CFEDRM
C=CCC[C@@H](C(=O)N=c1cccn[n-]1)c1ccccc1	ZINC000489042689	332038965	/nfs/dbraw/zinc/03/89/65/332038965.db2.gz	PPHBGIBHHYTGJI-CQSZACIVSA-N	-1	0	267.332	2.587	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)CC1	ZINC000493819900	332455262	/nfs/dbraw/zinc/45/52/62/332455262.db2.gz	KGWGFQPOWKMEPO-HJWRWDBZSA-N	-1	0	297.420	2.678	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CCCc2sccc21)C(=O)[O-]	ZINC000315921482	333384339	/nfs/dbraw/zinc/38/43/39/333384339.db2.gz	PLKYQPUWPGIYMZ-NWDGAFQWSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000316235700	333386320	/nfs/dbraw/zinc/38/63/20/333386320.db2.gz	BYYQSNDCENHVOX-LBPRGKRZSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C/C(=N\COC)c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243324956	782138484	/nfs/dbraw/zinc/13/84/84/782138484.db2.gz	XLOUCXDZVVLYCX-SDNWHVSQSA-N	-1	0	253.685	2.617	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(Cl)cc1C#N	ZINC000052856284	521562722	/nfs/dbraw/zinc/56/27/22/521562722.db2.gz	SONIFQOGXPUZAV-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=Cc1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1	ZINC000341417041	519309285	/nfs/dbraw/zinc/30/92/85/519309285.db2.gz	JPLKVEWXSGEWOV-UHFFFAOYSA-N	-1	0	294.358	2.827	20	30		CFEDRM
CC(C)C[C@H](CNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000126956556	519352609	/nfs/dbraw/zinc/35/26/09/519352609.db2.gz	MBJIIVMSIIDSDZ-SNVBAGLBSA-N	-1	0	282.290	2.995	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000094703535	519353739	/nfs/dbraw/zinc/35/37/39/519353739.db2.gz	QCVWDLCPWADFME-LLVKDONJSA-N	-1	0	264.300	2.856	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@](C)(CC)C(=O)[O-])c1ccccc1	ZINC000263232397	534514989	/nfs/dbraw/zinc/51/49/89/534514989.db2.gz	CMXTTYAECNOPEF-LRDDRELGSA-N	-1	0	275.348	2.716	20	30		CFEDRM
CCC(CC)(CNc1nccc(C)c1C#N)C(=O)[O-]	ZINC000137657980	521444634	/nfs/dbraw/zinc/44/46/34/521444634.db2.gz	AHTMICUVVYHVAS-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000263493244	534674057	/nfs/dbraw/zinc/67/40/57/534674057.db2.gz	XIRZRLMVDOZWDY-RWMBFGLXSA-N	-1	0	275.348	2.572	20	30		CFEDRM
Cc1c(Cl)cnc(NC(C)(C)CCC(=O)[O-])c1C#N	ZINC000263432988	525784779	/nfs/dbraw/zinc/78/47/79/525784779.db2.gz	UFYRYNHIBGFTGM-UHFFFAOYSA-N	-1	0	281.743	2.970	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1F	ZINC000335164783	526665661	/nfs/dbraw/zinc/66/56/61/526665661.db2.gz	XBAJXUGSNPCAIU-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
N#Cc1ccc2c(c1)N(C(=O)c1ccc(F)cc1[O-])CC2	ZINC000334186107	526692645	/nfs/dbraw/zinc/69/26/45/526692645.db2.gz	HIGGSSOQNGEGDI-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1	ZINC000074842351	526750038	/nfs/dbraw/zinc/75/00/38/526750038.db2.gz	IXTYJTRUPOBBFY-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(C(C)(C)C)o1	ZINC000351992649	526935718	/nfs/dbraw/zinc/93/57/18/526935718.db2.gz	FHNJHRYVVVLVTG-UHFFFAOYSA-N	-1	0	287.363	2.966	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([O-])c(Cl)c1	ZINC000334764253	527478286	/nfs/dbraw/zinc/47/82/86/527478286.db2.gz	LTBOTHHPERFZRY-YPMHNXCESA-N	-1	0	281.739	2.509	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1cccc(C#N)n1)C(=O)[O-]	ZINC000416438014	527675489	/nfs/dbraw/zinc/67/54/89/527675489.db2.gz	JHUIHANDHJHQCS-LLVKDONJSA-N	-1	0	261.325	2.645	20	30		CFEDRM
CC(C)Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000443309567	535014844	/nfs/dbraw/zinc/01/48/44/535014844.db2.gz	GYXCWONHQPBFDG-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000935108721	649876607	/nfs/dbraw/zinc/87/66/07/649876607.db2.gz	PJFDPUMRJULAIQ-OJAKKHQRSA-N	-1	0	270.332	2.885	20	30		CFEDRM
CC(C)(C#N)CNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935320715	649897268	/nfs/dbraw/zinc/89/72/68/649897268.db2.gz	UHMXCTQVWANAMY-UHFFFAOYSA-N	-1	0	287.146	2.979	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000736426203	574049549	/nfs/dbraw/zinc/04/95/49/574049549.db2.gz	IYBWOEZTCSPJLO-UHFFFAOYSA-N	-1	0	288.347	2.787	20	30		CFEDRM
Cc1cc(NC(=O)c2sccc2C#N)ccc1C(=O)[O-]	ZINC000738453026	574058092	/nfs/dbraw/zinc/05/80/92/574058092.db2.gz	VKBQCPTYKCYCFD-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1ccc(OCC#N)cc1	ZINC000736553541	574059909	/nfs/dbraw/zinc/05/99/09/574059909.db2.gz	YTKQWSDTWHHBEK-JTQLQIEISA-N	-1	0	265.334	2.685	20	30		CFEDRM
C[C@H](CSCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000736613326	574061457	/nfs/dbraw/zinc/06/14/57/574061457.db2.gz	MIFLEPIBLKCXHP-SNVBAGLBSA-N	-1	0	265.334	2.543	20	30		CFEDRM
C#CCOC(=O)c1cc2ccccc2cc1NC(=O)[O-]	ZINC000738462767	574067818	/nfs/dbraw/zinc/06/78/18/574067818.db2.gz	ACLRWABBZSWRQH-UHFFFAOYSA-N	-1	0	269.256	2.720	20	30		CFEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000736772726	574071703	/nfs/dbraw/zinc/07/17/03/574071703.db2.gz	HYBQXLIDGSUFGT-BDJLRTHQSA-N	-1	0	286.331	2.587	20	30		CFEDRM
C=CCCC(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000738488293	574091084	/nfs/dbraw/zinc/09/10/84/574091084.db2.gz	IANWLGCDXUOEGV-UHFFFAOYSA-N	-1	0	262.309	2.701	20	30		CFEDRM
C=CCCCOC(=O)c1ccc(CNC(=O)[O-])cc1	ZINC000738493227	574095176	/nfs/dbraw/zinc/09/51/76/574095176.db2.gz	LRSMYDDAZXRKBP-UHFFFAOYSA-N	-1	0	263.293	2.577	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000738493052	574095199	/nfs/dbraw/zinc/09/51/99/574095199.db2.gz	JFAUWYOROUADRW-RDBSUJKOSA-N	-1	0	294.395	2.722	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H](CCC)NC(=O)[O-]	ZINC000738493204	574095402	/nfs/dbraw/zinc/09/54/02/574095402.db2.gz	YUXCEJMGPXDVEJ-AWEZNQCLSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCCCN(C)C(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000738494220	574095632	/nfs/dbraw/zinc/09/56/32/574095632.db2.gz	XOVGRKJFFFZTJO-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438832	574096067	/nfs/dbraw/zinc/09/60/67/574096067.db2.gz	QABFLKRDWLAYPQ-XQRVVYSFSA-N	-1	0	260.268	2.767	20	30		CFEDRM
CCC(N=Nc1ccccc1C(=O)[O-])C1CCOCC1	ZINC000745197801	574106276	/nfs/dbraw/zinc/10/62/76/574106276.db2.gz	NKTZXUDTNMMGMC-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
Cc1ncccc1C=NNc1ccccc1C(=O)[O-]	ZINC000728779453	574108474	/nfs/dbraw/zinc/10/84/74/574108474.db2.gz	NIGATBNYFGIXIW-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1	ZINC000737495618	574144967	/nfs/dbraw/zinc/14/49/67/574144967.db2.gz	OIKGAEBHHFSHIO-UHFFFAOYSA-N	-1	0	296.326	2.588	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)CSc1ccccc1	ZINC000737527275	574146263	/nfs/dbraw/zinc/14/62/63/574146263.db2.gz	JCKNTOXZTNUYFK-GFCCVEGCSA-N	-1	0	293.388	2.514	20	30		CFEDRM
CON=C(C)c1cc(Br)c(F)cc1[O-]	ZINC000746566216	574155146	/nfs/dbraw/zinc/15/51/46/574155146.db2.gz	UDOVMKOKKWEGFX-UHFFFAOYSA-N	-1	0	262.078	2.664	20	30		CFEDRM
CO[C@@]1(C)CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000746557364	574154591	/nfs/dbraw/zinc/15/45/91/574154591.db2.gz	AYGZFXHCRKVBOR-HNNXBMFYSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CO[C@]1(C)CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000746563534	574155294	/nfs/dbraw/zinc/15/52/94/574155294.db2.gz	FJLAELXVUREPAX-OAHLLOKOSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(O)c(C)c2)cn1	ZINC000732530836	574160465	/nfs/dbraw/zinc/16/04/65/574160465.db2.gz	SZIKHPFBXLBDGS-XQRVVYSFSA-N	-1	0	256.305	2.813	20	30		CFEDRM
Cc1cccc2ncc(C=NNc3ccc(C(=O)[O-])cc3)n21	ZINC000755453619	574163255	/nfs/dbraw/zinc/16/32/55/574163255.db2.gz	AKIRZMPKUQUXIE-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
N#Cc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000755453800	574163334	/nfs/dbraw/zinc/16/33/34/574163334.db2.gz	CDRHAIFQLSYXFR-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1nccn1C	ZINC000755466533	574163708	/nfs/dbraw/zinc/16/37/08/574163708.db2.gz	FQWUDGRLFBODND-UHFFFAOYSA-N	-1	0	292.726	2.608	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc(O)c(F)c2)c1	ZINC000755471694	574164312	/nfs/dbraw/zinc/16/43/12/574164312.db2.gz	JOEZZIUESHIQRD-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
Cc1cc(CN(CC#N)C2CCCC2)oc1C(=O)[O-]	ZINC000738381746	574166462	/nfs/dbraw/zinc/16/64/62/574166462.db2.gz	GCJHRIJRGCNVAN-UHFFFAOYSA-N	-1	0	262.309	2.554	20	30		CFEDRM
N#Cc1cccc(OCCNc2cccc(CC(=O)[O-])c2)c1	ZINC000738433402	574169145	/nfs/dbraw/zinc/16/91/45/574169145.db2.gz	AQUKNIIKRTUHQJ-UHFFFAOYSA-N	-1	0	296.326	2.676	20	30		CFEDRM
C=CCn1c2ccccc2nc1S[C@H](C)C(=O)[O-]	ZINC000738503285	574171378	/nfs/dbraw/zinc/17/13/78/574171378.db2.gz	NTMWQDPSWFUJQY-SECBINFHSA-N	-1	0	262.334	2.788	20	30		CFEDRM
Cc1ccc([C@@H](CNc2ncccc2C#N)C(=O)[O-])cc1	ZINC000738569882	574173851	/nfs/dbraw/zinc/17/38/51/574173851.db2.gz	VHSACPFGLNQUNB-CQSZACIVSA-N	-1	0	281.315	2.542	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNCCCOc1ccccc1	ZINC000729148090	574179474	/nfs/dbraw/zinc/17/94/74/574179474.db2.gz	SCFIUTCWVRRSHS-UHFFFAOYSA-N	-1	0	298.342	2.777	20	30		CFEDRM
Cc1nc(Cl)cc(N=NCc2ccc(C(=O)[O-])cc2)n1	ZINC000738859847	574187814	/nfs/dbraw/zinc/18/78/14/574187814.db2.gz	VVLFIODSBMUVPT-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(CC(=O)[O-])cc1	ZINC000755822775	574190301	/nfs/dbraw/zinc/19/03/01/574190301.db2.gz	OAQRPMPKEUPOEQ-HNNXBMFYSA-N	-1	0	277.320	2.581	20	30		CFEDRM
C[C@@H](NC(=O)[O-])C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000739015827	574193181	/nfs/dbraw/zinc/19/31/81/574193181.db2.gz	CZPITAALOSNUHO-SNVBAGLBSA-N	-1	0	291.326	2.570	20	30		CFEDRM
Cc1ccnc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000755905617	574195925	/nfs/dbraw/zinc/19/59/25/574195925.db2.gz	JGTHPWWLEHBUJE-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
N#CC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCCC1	ZINC000739075336	574196633	/nfs/dbraw/zinc/19/66/33/574196633.db2.gz	RJZUAFRTLAWNRQ-GFCCVEGCSA-N	-1	0	298.342	2.675	20	30		CFEDRM
N#CCCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739069561	574196878	/nfs/dbraw/zinc/19/68/78/574196878.db2.gz	SKCKTUPSOHSBAR-ALCCZGGFSA-N	-1	0	289.291	2.798	20	30		CFEDRM
N#Cc1cc(F)ccc1COc1ccc(C(=O)[O-])cc1C=O	ZINC000739098928	574198259	/nfs/dbraw/zinc/19/82/59/574198259.db2.gz	LVHCIDWGTUQUOX-UHFFFAOYSA-N	-1	0	299.257	2.787	20	30		CFEDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000739298624	574206038	/nfs/dbraw/zinc/20/60/38/574206038.db2.gz	GAGZKGFQKALJGS-OAHLLOKOSA-N	-1	0	289.335	2.518	20	30		CFEDRM
O=C([O-])C[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1	ZINC000739624459	574220726	/nfs/dbraw/zinc/22/07/26/574220726.db2.gz	KIBHCEXPRSIMMT-OMJMQIJPSA-N	-1	0	285.299	2.733	20	30		CFEDRM
CC/C=C(\C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000729701955	574230030	/nfs/dbraw/zinc/23/00/30/574230030.db2.gz	PIOYTXTWDUXGDT-NKLKJHRZSA-N	-1	0	292.360	2.527	20	30		CFEDRM
C=CCC[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000756379500	574230868	/nfs/dbraw/zinc/23/08/68/574230868.db2.gz	MXHFNOIQHOPTLB-LLVKDONJSA-N	-1	0	282.409	2.950	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NNC3CCCC3)c2c1	ZINC000740191256	574242140	/nfs/dbraw/zinc/24/21/40/574242140.db2.gz	WJNKPBOLCSMYPF-UHFFFAOYSA-N	-1	0	271.320	2.732	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCCN(C(=O)[O-])C2)cc1	ZINC000740317885	574246799	/nfs/dbraw/zinc/24/67/99/574246799.db2.gz	SYVJOWHVTBBNGD-ZDUSSCGKSA-N	-1	0	259.309	2.503	20	30		CFEDRM
N#Cc1ccc(NC[C@@H]2CCCN2C(=O)[O-])cc1Cl	ZINC000740319601	574247125	/nfs/dbraw/zinc/24/71/25/574247125.db2.gz	WJDYJFWGTMURCW-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1cccc(N[C@@H](CNC(=O)[O-])C2CCCCC2)n1	ZINC000740323100	574247142	/nfs/dbraw/zinc/24/71/42/574247142.db2.gz	MGRUFUXBYJOLIV-ZDUSSCGKSA-N	-1	0	288.351	2.582	20	30		CFEDRM
N#Cc1cccnc1N[C@H](CNC(=O)[O-])C1CCCCC1	ZINC000740321698	574247349	/nfs/dbraw/zinc/24/73/49/574247349.db2.gz	GRJHWJRYJYTMJN-CYBMUJFWSA-N	-1	0	288.351	2.582	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc(Cl)n2)c1	ZINC000748410917	574251375	/nfs/dbraw/zinc/25/13/75/574251375.db2.gz	UJEVIQJKBRFFSE-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2nncc3ccccc32)CC1	ZINC000740552024	574255082	/nfs/dbraw/zinc/25/50/82/574255082.db2.gz	YLNRVWGWEAZJKP-UHFFFAOYSA-N	-1	0	299.334	2.608	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000740550940	574255284	/nfs/dbraw/zinc/25/52/84/574255284.db2.gz	CTNIULBZKIBAKA-UHFFFAOYSA-N	-1	0	292.295	2.573	20	30		CFEDRM
N#CCOc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1	ZINC000730149450	574256102	/nfs/dbraw/zinc/25/61/02/574256102.db2.gz	IHMDPEBBIFYHST-SNAWJCMRSA-N	-1	0	286.312	2.914	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C(C)C	ZINC000756901092	574271305	/nfs/dbraw/zinc/27/13/05/574271305.db2.gz	JLRJTSLXJIUUBE-UHFFFAOYSA-N	-1	0	250.298	2.837	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C[C@@H]1CCOC1	ZINC000756905805	574272293	/nfs/dbraw/zinc/27/22/93/574272293.db2.gz	LBPXZEOPRWCWEB-NSHDSACASA-N	-1	0	292.335	2.608	20	30		CFEDRM
CC(C)[C@H](CNc1cc(C#N)c2ccccc2n1)NC(=O)[O-]	ZINC000738786616	574280392	/nfs/dbraw/zinc/28/03/92/574280392.db2.gz	ACSHKVHEVRUNJP-AWEZNQCLSA-N	-1	0	298.346	2.811	20	30		CFEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1C#N	ZINC000741758344	574301143	/nfs/dbraw/zinc/30/11/43/574301143.db2.gz	DNHLPXQRQFPWRS-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
COc1cccc(O)c1/C=N/C[C@@H](O)CC(C)(C)C	ZINC000735228786	574316038	/nfs/dbraw/zinc/31/60/38/574316038.db2.gz	HUWYKSFCPRXETK-YAFRSCOQSA-N	-1	0	265.353	2.617	20	30		CFEDRM
C=CCCCN(C)c1ccc(-c2nn[nH]n2)c(Cl)c1	ZINC000735412503	574322853	/nfs/dbraw/zinc/32/28/53/574322853.db2.gz	DQBYSXYRRVZWTO-UHFFFAOYSA-N	-1	0	277.759	2.923	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000735880604	574341238	/nfs/dbraw/zinc/34/12/38/574341238.db2.gz	YQCLITYEVBTTKS-VIFPVBQESA-N	-1	0	275.333	2.539	20	30		CFEDRM
N#CCCCCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000739068538	574343792	/nfs/dbraw/zinc/34/37/92/574343792.db2.gz	GBNQFGONGFTDJU-UHFFFAOYSA-N	-1	0	294.286	2.731	20	30		CFEDRM
N#C[C@@H](C(=O)c1cccc(NC(=O)[O-])c1)c1ccccn1	ZINC000739073055	574345699	/nfs/dbraw/zinc/34/56/99/574345699.db2.gz	BGCMFBUCMBQLQX-GFCCVEGCSA-N	-1	0	281.271	2.662	20	30		CFEDRM
C=CCCCOC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000736102441	574350373	/nfs/dbraw/zinc/35/03/73/574350373.db2.gz	HWDQSAALBPNXQM-UHFFFAOYSA-N	-1	0	287.315	2.849	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000736102550	574350427	/nfs/dbraw/zinc/35/04/27/574350427.db2.gz	ODQCSEPUZUEPLU-JTQLQIEISA-N	-1	0	296.294	2.548	20	30		CFEDRM
C=C1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1	ZINC000736094579	574350625	/nfs/dbraw/zinc/35/06/25/574350625.db2.gz	NXGGBRCZYMCCOR-UHFFFAOYSA-N	-1	0	260.293	2.569	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2occc2C(=O)[O-])c1	ZINC000736090569	574350699	/nfs/dbraw/zinc/35/06/99/574350699.db2.gz	CKMIRTGIZWKIFT-UHFFFAOYSA-N	-1	0	255.273	2.596	20	30		CFEDRM
C#Cc1cccc(N(CC(=O)[O-])Cc2ccccc2)c1	ZINC000736091402	574350884	/nfs/dbraw/zinc/35/08/84/574350884.db2.gz	QVGAIAXLWAWGCJ-UHFFFAOYSA-N	-1	0	265.312	2.759	20	30		CFEDRM
C=CCCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000736098228	574351067	/nfs/dbraw/zinc/35/10/67/574351067.db2.gz	WZWCLBMJCZKSPM-VQHVLOKHSA-N	-1	0	276.288	2.665	20	30		CFEDRM
C=CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccncc1	ZINC000736096730	574351087	/nfs/dbraw/zinc/35/10/87/574351087.db2.gz	SBHGITGDKPDPRW-HNNXBMFYSA-N	-1	0	296.326	2.827	20	30		CFEDRM
C=CCOCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC000736109614	574351238	/nfs/dbraw/zinc/35/12/38/574351238.db2.gz	SFGOVPHIKNJSRP-UHFFFAOYSA-N	-1	0	297.376	2.885	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000736095705	574351266	/nfs/dbraw/zinc/35/12/66/574351266.db2.gz	AAOADCQKKLJJBM-SECBINFHSA-N	-1	0	278.352	2.668	20	30		CFEDRM
C[C@@H](C#N)CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736203909	574354431	/nfs/dbraw/zinc/35/44/31/574354431.db2.gz	WKJVYHMMYQMGRR-JOYOIKCWSA-N	-1	0	266.728	2.557	20	30		CFEDRM
C[C@@H](C#N)Oc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1	ZINC000736204123	574354456	/nfs/dbraw/zinc/35/44/56/574354456.db2.gz	YQBPBXVBZXTYLE-SEJMYLSOSA-N	-1	0	294.310	2.998	20	30		CFEDRM
N#Cc1ccc(-c2ccn(Cc3cc(C(=O)[O-])co3)n2)cc1	ZINC000739102407	574358282	/nfs/dbraw/zinc/35/82/82/574358282.db2.gz	WLZAWANGHHWFCS-UHFFFAOYSA-N	-1	0	293.282	2.761	20	30		CFEDRM
C=CCCC(CC)=NNc1cnnc([O-])c1Cl	ZINC000750932438	574363761	/nfs/dbraw/zinc/36/37/61/574363761.db2.gz	KRYNHVCURDCXFT-UHFFFAOYSA-N	-1	0	254.721	2.980	20	30		CFEDRM
C[C@@H](NN=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000751130433	574369990	/nfs/dbraw/zinc/36/99/90/574369990.db2.gz	KXVXJKBBZFFRAK-LLVKDONJSA-N	-1	0	285.303	2.985	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000751205434	574371926	/nfs/dbraw/zinc/37/19/26/574371926.db2.gz	FDNGUTZINHWPJU-POHAHGRESA-N	-1	0	297.266	2.828	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)c[nH]1	ZINC000753145108	574399370	/nfs/dbraw/zinc/39/93/70/574399370.db2.gz	VLZPPIFPQGGGQW-DUXPYHPUSA-N	-1	0	289.262	2.542	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1csc(C(=O)[O-])c1	ZINC000753718338	574408746	/nfs/dbraw/zinc/40/87/46/574408746.db2.gz	XFZOVUHQOQZLFT-ONEGZZNKSA-N	-1	0	276.317	2.559	20	30		CFEDRM
COc1cccc(O)c1/C=N\Cc1ccc(C(=O)[O-])cc1	ZINC000818622438	597165096	/nfs/dbraw/zinc/16/50/96/597165096.db2.gz	IIVHKJOQRDJPBC-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
N#Cc1ccc(SCc2ccc(C(=O)[O-])cc2)nc1	ZINC000819106294	597299435	/nfs/dbraw/zinc/29/94/35/597299435.db2.gz	LILCQXOWUYBPGO-UHFFFAOYSA-N	-1	0	270.313	2.944	20	30		CFEDRM
CCOc1ccc(/C=N\[C@H](C(=O)[O-])[C@@H](C)CC)c(O)c1	ZINC000820386958	597393694	/nfs/dbraw/zinc/39/36/94/597393694.db2.gz	DEENZFVWCLSCSQ-NFUFCIBPSA-N	-1	0	279.336	2.709	20	30		CFEDRM
CC(CCc1ccc(Cl)s1)=NNCCC(=O)[O-]	ZINC000820095295	597740275	/nfs/dbraw/zinc/74/02/75/597740275.db2.gz	CPRKDDORSNNZFA-UHFFFAOYSA-N	-1	0	274.773	2.774	20	30		CFEDRM
N#CCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000821324727	598151075	/nfs/dbraw/zinc/15/10/75/598151075.db2.gz	LYWJBQDZPKUTJU-UHFFFAOYSA-N	-1	0	280.283	2.555	20	30		CFEDRM
N#CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000821324443	598154690	/nfs/dbraw/zinc/15/46/90/598154690.db2.gz	FJLZFZDWOOMXID-UHFFFAOYSA-N	-1	0	296.282	2.539	20	30		CFEDRM
N#Cc1ccsc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000821340433	598154741	/nfs/dbraw/zinc/15/47/41/598154741.db2.gz	INDXEERFVLLGQX-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
N#CCOc1ccccc1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000821324873	598180596	/nfs/dbraw/zinc/18/05/96/598180596.db2.gz	VIWGQSDKYKGFCC-UHFFFAOYSA-N	-1	0	296.282	2.539	20	30		CFEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1	ZINC000820113964	598222407	/nfs/dbraw/zinc/22/24/07/598222407.db2.gz	JFZXFOIIMKUKST-OTYXRUKQSA-N	-1	0	294.738	2.522	20	30		CFEDRM
C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc21	ZINC000820237741	598224157	/nfs/dbraw/zinc/22/41/57/598224157.db2.gz	CVKYHAZLAKWQSQ-BDJLRTHQSA-N	-1	0	286.331	2.531	20	30		CFEDRM
CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCCCCCC1	ZINC000820517885	598225842	/nfs/dbraw/zinc/22/58/42/598225842.db2.gz	UQIRKCWAZHLHPI-OAHLLOKOSA-N	-1	0	280.368	2.562	20	30		CFEDRM
CC[C@H](C)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000790182069	629216593	/nfs/dbraw/zinc/21/65/93/629216593.db2.gz	IHQIAOAPMZNAEB-QMMMGPOBSA-N	-1	0	254.717	2.760	20	30		CFEDRM
N#Cc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1ccccc1	ZINC000071264015	599785892	/nfs/dbraw/zinc/78/58/92/599785892.db2.gz	OQOGSLAZOIPOBC-OAHLLOKOSA-N	-1	0	284.290	2.613	20	30		CFEDRM
N#Cc1ccc(N2Cc3ccc(C(=O)[O-])cc3C2)c(F)c1	ZINC000156624233	600006353	/nfs/dbraw/zinc/00/63/53/600006353.db2.gz	GRNNOXDSQHEMEY-UHFFFAOYSA-N	-1	0	282.274	2.916	20	30		CFEDRM
COCCN(C)N=Cc1cc(Cl)c([O-])cc1Cl	ZINC000794963951	629711349	/nfs/dbraw/zinc/71/13/49/629711349.db2.gz	OZNRVHTVLWJGHH-UHFFFAOYSA-N	-1	0	277.151	2.611	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000161209461	600241302	/nfs/dbraw/zinc/24/13/02/600241302.db2.gz	AUEOACUTQITARG-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000163182978	600265465	/nfs/dbraw/zinc/26/54/65/600265465.db2.gz	KSSXMOCYPUJGTI-SNVBAGLBSA-N	-1	0	262.309	2.779	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccsc2)s1	ZINC000042316905	620644366	/nfs/dbraw/zinc/64/43/66/620644366.db2.gz	KZCMHFLQKVTGMF-UHFFFAOYSA-N	-1	0	287.387	2.812	20	30		CFEDRM
COc1ccc(O)c(/C=N\C[C@H](CC(C)C)C(=O)[O-])c1	ZINC000738040640	600816803	/nfs/dbraw/zinc/81/68/03/600816803.db2.gz	BALAWJIXHWLLMK-LUMBYOQCSA-N	-1	0	279.336	2.567	20	30		CFEDRM
N#CCSCCCN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000833068129	600822893	/nfs/dbraw/zinc/82/28/93/600822893.db2.gz	QDHBFYGHMWQEMG-LBPRGKRZSA-N	-1	0	290.388	2.712	20	30		CFEDRM
O=C([O-])c1occc1/C=C1\CCc2c(O)cccc2C1=O	ZINC000833355209	600830800	/nfs/dbraw/zinc/83/08/00/600830800.db2.gz	KDTBVHLXIBEWPD-CMDGGOBGSA-N	-1	0	284.267	2.896	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)OCCC#Cc2ccccc2)c1	ZINC000833328345	600960584	/nfs/dbraw/zinc/96/05/84/600960584.db2.gz	FJZAYYMAZVKJQU-UHFFFAOYSA-N	-1	0	294.306	2.983	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)OCCC#Cc2ccccc2)cc1	ZINC000833311992	600960627	/nfs/dbraw/zinc/96/06/27/600960627.db2.gz	KMKQIMDFSJZHEC-UHFFFAOYSA-N	-1	0	294.306	2.983	20	30		CFEDRM
CCN(CCC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000829692699	601012064	/nfs/dbraw/zinc/01/20/64/601012064.db2.gz	NAACTEGVRIGZEF-GFCCVEGCSA-N	-1	0	266.728	2.701	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000833072527	601061887	/nfs/dbraw/zinc/06/18/87/601061887.db2.gz	UKLUJXLTZRRXIF-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000062828238	601127225	/nfs/dbraw/zinc/12/72/25/601127225.db2.gz	BDTOAVUMOHKZPQ-UHFFFAOYSA-N	-1	0	295.364	2.831	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(COC(=O)CCCNC(=O)[O-])CC1	ZINC000825642576	601194458	/nfs/dbraw/zinc/19/44/58/601194458.db2.gz	XRVGEHAJQYPJMP-CYBMUJFWSA-N	-1	0	281.352	2.880	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(C)C	ZINC000825600573	601194487	/nfs/dbraw/zinc/19/44/87/601194487.db2.gz	VSIWMCDSZZLELN-CYBMUJFWSA-N	-1	0	275.304	2.981	20	30		CFEDRM
Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1	ZINC000832933709	601301440	/nfs/dbraw/zinc/30/14/40/601301440.db2.gz	ILMRIJXHPKAGDC-CQSZACIVSA-N	-1	0	286.356	2.844	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)s1	ZINC000832910967	601330780	/nfs/dbraw/zinc/33/07/80/601330780.db2.gz	GMEZCDGTVWTSPI-GQCTYLIASA-N	-1	0	261.302	2.979	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3sccc3C2=O)[nH]1	ZINC000833311995	601331963	/nfs/dbraw/zinc/33/19/63/601331963.db2.gz	GYORCDJTRKKKLP-BQYQJAHWSA-N	-1	0	273.313	2.987	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)o1	ZINC000832869100	601344478	/nfs/dbraw/zinc/34/44/78/601344478.db2.gz	YHNNFVCVILOTMF-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/CC2(C(=O)[O-])CCCC2)c1	ZINC000830085351	601365635	/nfs/dbraw/zinc/36/56/35/601365635.db2.gz	UAOVZRSFMFLWPE-LICLKQGHSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\CC2(C(=O)[O-])CCCC2)c1	ZINC000830085353	601365722	/nfs/dbraw/zinc/36/57/22/601365722.db2.gz	UAOVZRSFMFLWPE-YVLHZVERSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COc1cccc(C#N)c1	ZINC000830394278	601388445	/nfs/dbraw/zinc/38/84/45/601388445.db2.gz	BSOVHHIFTQDPAG-UHFFFAOYSA-N	-1	0	271.272	2.991	20	30		CFEDRM
C=CCCCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000825671491	601430666	/nfs/dbraw/zinc/43/06/66/601430666.db2.gz	QZYLQFHTVKZNMI-SECBINFHSA-N	-1	0	252.266	2.938	20	30		CFEDRM
C=CCCCC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-]	ZINC000825671292	601436683	/nfs/dbraw/zinc/43/66/83/601436683.db2.gz	KUHZFQORHWPYRC-CYBMUJFWSA-N	-1	0	293.338	2.542	20	30		CFEDRM
C=CCCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000825671426	601437759	/nfs/dbraw/zinc/43/77/59/601437759.db2.gz	PPJXCOYJYOZGQN-UHFFFAOYSA-N	-1	0	259.305	2.583	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1F	ZINC000832157191	601445580	/nfs/dbraw/zinc/44/55/80/601445580.db2.gz	MZPDRNGBCKDOHX-XQRVVYSFSA-N	-1	0	289.262	2.757	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(C#N)c1	ZINC000830391340	601458836	/nfs/dbraw/zinc/45/88/36/601458836.db2.gz	ZXULRAMKWORNBK-UHFFFAOYSA-N	-1	0	299.282	2.769	20	30		CFEDRM
C[C@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(C(=O)[O-])o1	ZINC000827839174	601469842	/nfs/dbraw/zinc/46/98/42/601469842.db2.gz	OHIOGIKOLAPKOJ-JTQLQIEISA-N	-1	0	299.282	2.696	20	30		CFEDRM
CC[C@H](/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000828901370	601498674	/nfs/dbraw/zinc/49/86/74/601498674.db2.gz	RXHHKLHLEHYPLJ-LWLPBDFMSA-N	-1	0	257.289	2.828	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000825675877	601725443	/nfs/dbraw/zinc/72/54/43/601725443.db2.gz	JBEVJTOVOUCNAA-SECBINFHSA-N	-1	0	298.360	2.779	20	30		CFEDRM
N#CCOc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000833067534	601791446	/nfs/dbraw/zinc/79/14/46/601791446.db2.gz	FWQBIIIYIFCGOE-LZCJLJQNSA-N	-1	0	296.282	2.511	20	30		CFEDRM
Cc1cc(C)c2c(c1)OC/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832874970	601793093	/nfs/dbraw/zinc/79/30/93/601793093.db2.gz	QVWKBQWJRXFJTM-XGICHPGQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
N#Cc1ccc2c(c1)CC/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000833074121	601794064	/nfs/dbraw/zinc/79/40/64/601794064.db2.gz	PFOPAJPGEUFMEA-MLPAPPSSSA-N	-1	0	292.294	2.797	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2ccc(C(F)(F)F)cn2)c[nH]1	ZINC000814711145	601795489	/nfs/dbraw/zinc/79/54/89/601795489.db2.gz	DHUKOTVIEBNFMF-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
Cc1ccc(C)c(NN=Cc2c[nH]c(C(=O)[O-])c2)c1	ZINC000814753605	601796302	/nfs/dbraw/zinc/79/63/02/601796302.db2.gz	REMDAYNREMRMRX-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccoc2C(=O)[O-])c1	ZINC000832953692	601825913	/nfs/dbraw/zinc/82/59/13/601825913.db2.gz	YTTNMGCLLTZJGC-HWKANZROSA-N	-1	0	272.256	2.888	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccsc1C(=O)[O-]	ZINC000110956475	601828730	/nfs/dbraw/zinc/82/87/30/601828730.db2.gz	PKEBRESGXIPOKJ-UHFFFAOYSA-N	-1	0	266.366	2.818	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1	ZINC000828156298	601856224	/nfs/dbraw/zinc/85/62/24/601856224.db2.gz	GSVOHCUBSRWNMN-UHFFFAOYSA-N	-1	0	291.282	2.794	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000829184951	601881225	/nfs/dbraw/zinc/88/12/25/601881225.db2.gz	RHCUZYMIWGEITL-STQMWFEESA-N	-1	0	294.395	2.856	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1	ZINC000833072341	601997344	/nfs/dbraw/zinc/99/73/44/601997344.db2.gz	RSQPCTBSNKKXHR-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
C[C@H](Oc1ccc(C=NNCc2ccccc2)cc1)C(=O)[O-]	ZINC000794876935	602069527	/nfs/dbraw/zinc/06/95/27/602069527.db2.gz	AOZHICZTOPDZNW-ZDUSSCGKSA-N	-1	0	298.342	2.662	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C/C(=O)c2cccnc2)cc1)C(=O)[O-]	ZINC000827884695	602106029	/nfs/dbraw/zinc/10/60/29/602106029.db2.gz	YOJMSXVKLOTLPX-UVMWJGKXSA-N	-1	0	297.310	2.830	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H](C)CC(=O)[O-]	ZINC000825682314	602158028	/nfs/dbraw/zinc/15/80/28/602158028.db2.gz	XCXGRNGKHRVAKB-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCCc2ccccc2F)cc1	ZINC000764724677	602180131	/nfs/dbraw/zinc/18/01/31/602180131.db2.gz	XSWYTKJPWKVDAD-UHFFFAOYSA-N	-1	0	286.306	2.690	20	30		CFEDRM
CC(C)c1csc(C(C#N)C(=O)[C@@H](C)CC(=O)[O-])n1	ZINC000827240772	602195501	/nfs/dbraw/zinc/19/55/01/602195501.db2.gz	NRGBWLYCLJEMMZ-DTWKUNHWSA-N	-1	0	280.349	2.554	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825605403	602204523	/nfs/dbraw/zinc/20/45/23/602204523.db2.gz	BZXDAXOBUNRHDD-UHFFFAOYSA-N	-1	0	293.298	2.841	20	30		CFEDRM
C[C@H](CC#N)N(C)CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000827217567	602328066	/nfs/dbraw/zinc/32/80/66/602328066.db2.gz	GHSHHEFSAURVNC-SNVBAGLBSA-N	-1	0	296.754	2.651	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000232620551	602370928	/nfs/dbraw/zinc/37/09/28/602370928.db2.gz	RPSFHIGDHNCYFJ-UHFFFAOYSA-N	-1	0	280.299	2.952	20	30		CFEDRM
Cc1ccc(NN=Cc2ccc(NC(=O)[O-])nc2)cc1	ZINC000830396363	603485206	/nfs/dbraw/zinc/48/52/06/603485206.db2.gz	ZMPJKZAXTPCMGG-UHFFFAOYSA-N	-1	0	270.292	2.926	20	30		CFEDRM
Cc1ccnc(N=NC(C)[C@@H]2CCCCN2C(=O)[O-])c1	ZINC000823532697	603485976	/nfs/dbraw/zinc/48/59/76/603485976.db2.gz	MYERRTSMVVKUHC-LBPRGKRZSA-N	-1	0	276.340	2.710	20	30		CFEDRM
CC(C)(CNc1cc(Cl)ccc1C#N)NC(=O)[O-]	ZINC000824011639	603520035	/nfs/dbraw/zinc/52/00/35/603520035.db2.gz	WYZUCCRANOWFSN-UHFFFAOYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
CCC(CC)(CNc1nc(C)cc(C)c1C#N)NC(=O)[O-]	ZINC000826566301	603523939	/nfs/dbraw/zinc/52/39/39/603523939.db2.gz	FFEQOYGRUQUVHO-UHFFFAOYSA-N	-1	0	290.367	2.808	20	30		CFEDRM
CCCCCCCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1	ZINC000826821483	603713804	/nfs/dbraw/zinc/71/38/04/603713804.db2.gz	UVTASMSPZDJZSJ-GFCCVEGCSA-N	-1	0	270.373	2.558	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000823491386	603765932	/nfs/dbraw/zinc/76/59/32/603765932.db2.gz	VLIHFULNWHCPJU-JTQLQIEISA-N	-1	0	289.335	2.813	20	30		CFEDRM
CC(C)C[C@@H](NC(=O)[O-])c1noc(C2(C#N)CCCC2)n1	ZINC000824216961	603767486	/nfs/dbraw/zinc/76/74/86/603767486.db2.gz	ASMOHPTWWDZHJC-SNVBAGLBSA-N	-1	0	292.339	2.760	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N(C)[C@@H](C)C(=O)[O-])c1	ZINC000900355986	620664043	/nfs/dbraw/zinc/66/40/43/620664043.db2.gz	XXMNKJONQMZDDF-JTQLQIEISA-N	-1	0	262.309	2.657	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1	ZINC000825783855	603978878	/nfs/dbraw/zinc/97/88/78/603978878.db2.gz	PWCIQBNSYVYBQS-UHFFFAOYSA-N	-1	0	299.330	2.605	20	30		CFEDRM
C#CCCCCNC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823440938	604097450	/nfs/dbraw/zinc/09/74/50/604097450.db2.gz	NIXVBDDIASWZSM-ZIAGYGMSSA-N	-1	0	294.395	2.513	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000827111461	604142679	/nfs/dbraw/zinc/14/26/79/604142679.db2.gz	OGFWAOANWFWQDI-UHFFFAOYSA-N	-1	0	294.286	2.683	20	30		CFEDRM
C=CCOC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823516555	604227556	/nfs/dbraw/zinc/22/75/56/604227556.db2.gz	ONYOXVDJPPMQDY-UHFFFAOYSA-N	-1	0	285.683	2.781	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1	ZINC000823490614	604249271	/nfs/dbraw/zinc/24/92/71/604249271.db2.gz	HPUFJNFWPOXKLA-OCCSQVGLSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823473545	604303332	/nfs/dbraw/zinc/30/33/32/604303332.db2.gz	GCJOXBYIORXLIV-UONOGXRCSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CCCC1	ZINC000825609023	604313861	/nfs/dbraw/zinc/31/38/61/604313861.db2.gz	OKPDJCUSSFXNQS-UHFFFAOYSA-N	-1	0	289.306	2.542	20	30		CFEDRM
C[C@H](CC(=O)OCCCCC#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824729404	604416882	/nfs/dbraw/zinc/41/68/82/604416882.db2.gz	QXYSNYOHVLWTJW-CHWSQXEVSA-N	-1	0	296.367	2.640	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825642606	604504281	/nfs/dbraw/zinc/50/42/81/604504281.db2.gz	ZFFZWYXAGBETPX-UHFFFAOYSA-N	-1	0	268.338	2.876	20	30		CFEDRM
N#Cc1c(Cn2ccc(C(F)(F)F)n2)cccc1C(=O)[O-]	ZINC000833761213	604547712	/nfs/dbraw/zinc/54/77/12/604547712.db2.gz	QKEOGUZFULUQNN-UHFFFAOYSA-N	-1	0	295.220	2.520	20	30		CFEDRM
C#CCOCCC(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000833364250	604553837	/nfs/dbraw/zinc/55/38/37/604553837.db2.gz	MVIOCOWVYUUVOK-UHFFFAOYSA-N	-1	0	297.310	2.516	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833406598	604573716	/nfs/dbraw/zinc/57/37/16/604573716.db2.gz	BBQVYPZLVUZHIY-UHFFFAOYSA-N	-1	0	292.360	2.742	20	30		CFEDRM
C=CCN(C(=O)NCCc1cccc(C(=O)[O-])c1)C(C)C	ZINC000135368407	604599679	/nfs/dbraw/zinc/59/96/79/604599679.db2.gz	GDOCDAZUNMHHPR-UHFFFAOYSA-N	-1	0	290.363	2.533	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1ccccc1C(=O)[O-])OCC	ZINC000833368419	604601570	/nfs/dbraw/zinc/60/15/70/604601570.db2.gz	HPWMFJDAIJTLQE-ZDUSSCGKSA-N	-1	0	278.304	2.662	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2ccc(C(=O)[O-])cc2)n1	ZINC000825808847	604632896	/nfs/dbraw/zinc/63/28/96/604632896.db2.gz	GTILSOUGZQEHCC-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CN(Cc1ccc(C#N)s1)[C@H](C(=O)[O-])c1ccccc1	ZINC000833696385	604646089	/nfs/dbraw/zinc/64/60/89/604646089.db2.gz	KYRJCUOYNYZKHM-AWEZNQCLSA-N	-1	0	286.356	2.877	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000232362448	604648749	/nfs/dbraw/zinc/64/87/49/604648749.db2.gz	MHWJAOIKFHCDHW-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
C#CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000776686330	604650703	/nfs/dbraw/zinc/65/07/03/604650703.db2.gz	MRANVRRFEDOFTJ-INIZCTEOSA-N	-1	0	293.322	2.879	20	30		CFEDRM
C[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000763369604	604668530	/nfs/dbraw/zinc/66/85/30/604668530.db2.gz	VQKVZSMXHDHMAP-NSHDSACASA-N	-1	0	269.304	2.981	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000901708057	620903407	/nfs/dbraw/zinc/90/34/07/620903407.db2.gz	LYEGDRKBZGKDFZ-UHFFFAOYSA-N	-1	0	260.293	2.653	20	30		CFEDRM
N#Cc1ccc(OCc2ccoc2C(=O)[O-])c(F)c1	ZINC000232362488	604760569	/nfs/dbraw/zinc/76/05/69/604760569.db2.gz	RMEMHIWZLGLAKG-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
C=C(C)CCOC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833368695	604786366	/nfs/dbraw/zinc/78/63/66/604786366.db2.gz	PZIYOYNVJNNOOP-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
C=CCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000833373604	604813464	/nfs/dbraw/zinc/81/34/64/604813464.db2.gz	UJUBNYQGLMVJAF-UHFFFAOYSA-N	-1	0	273.332	2.626	20	30		CFEDRM
N#Cc1ccccc1COC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833075831	604850732	/nfs/dbraw/zinc/85/07/32/604850732.db2.gz	WZQUXAIZTVTABO-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1	ZINC000162384056	604875007	/nfs/dbraw/zinc/87/50/07/604875007.db2.gz	ZGTUHVBILNFBGI-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
O=C([O-])c1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1	ZINC000768842833	604889491	/nfs/dbraw/zinc/88/94/91/604889491.db2.gz	XDRQBSGFAGSERY-XFXZXTDPSA-N	-1	0	295.294	2.698	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000162395542	604911994	/nfs/dbraw/zinc/91/19/94/604911994.db2.gz	YZSOLLBYAGEJJS-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825642162	604920170	/nfs/dbraw/zinc/92/01/70/604920170.db2.gz	IXBGCCXKSFYLPL-UHFFFAOYSA-N	-1	0	265.284	2.562	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CC1	ZINC000833375279	604928326	/nfs/dbraw/zinc/92/83/26/604928326.db2.gz	NLYYFYPHKAXUAA-UHFFFAOYSA-N	-1	0	289.335	2.637	20	30		CFEDRM
Cc1occc1CN(C)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833029986	604968798	/nfs/dbraw/zinc/96/87/98/604968798.db2.gz	NFGGVFXYVDQLRH-HNNXBMFYSA-N	-1	0	284.315	2.717	20	30		CFEDRM
COc1ccc(C#N)cc1CNc1ccc(C(=O)[O-])cc1	ZINC000832153277	604985000	/nfs/dbraw/zinc/98/50/00/604985000.db2.gz	ZRSLFIIYNBTIDT-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
COc1ccc(C#N)cc1COc1cccc(C(=O)[O-])c1	ZINC000130189700	605009096	/nfs/dbraw/zinc/00/90/96/605009096.db2.gz	SQMPXLHVMCKIMT-UHFFFAOYSA-N	-1	0	283.283	2.844	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(F)cc1	ZINC000833406503	605038158	/nfs/dbraw/zinc/03/81/58/605038158.db2.gz	NBDAOLZEESCTMV-SNVBAGLBSA-N	-1	0	275.283	2.719	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccccc1	ZINC000833408502	605038462	/nfs/dbraw/zinc/03/84/62/605038462.db2.gz	ZDLWFXHXHMZOKH-NSHDSACASA-N	-1	0	257.293	2.580	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833373917	605076788	/nfs/dbraw/zinc/07/67/88/605076788.db2.gz	IWIWWSGTJQWDDX-SECBINFHSA-N	-1	0	278.352	2.804	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833373708	605076913	/nfs/dbraw/zinc/07/69/13/605076913.db2.gz	ZBDXJTLBKLOHLQ-NWDGAFQWSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C\C(=O)c2ccncc2)cc1)C(=O)[O-]	ZINC000794691529	605101127	/nfs/dbraw/zinc/10/11/27/605101127.db2.gz	QBYKFHKWVJHCKR-DJFZKKHWSA-N	-1	0	297.310	2.830	20	30		CFEDRM
C=CCOc1cccnc1C(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000833378499	605116490	/nfs/dbraw/zinc/11/64/90/605116490.db2.gz	HCLUZYQMLNKOSN-UHFFFAOYSA-N	-1	0	299.282	2.564	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833373770	605134798	/nfs/dbraw/zinc/13/47/98/605134798.db2.gz	BYWQLBTUHOPKGJ-SNVBAGLBSA-N	-1	0	296.294	2.719	20	30		CFEDRM
C=CCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833373704	605136991	/nfs/dbraw/zinc/13/69/91/605136991.db2.gz	YZDUOBHJJKOLIY-UHFFFAOYSA-N	-1	0	252.241	2.704	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833406594	605161208	/nfs/dbraw/zinc/16/12/08/605161208.db2.gz	BBHSELBVSTZTBE-UHFFFAOYSA-N	-1	0	279.267	2.621	20	30		CFEDRM
CC(C)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)[O-]	ZINC000833470970	605222743	/nfs/dbraw/zinc/22/27/43/605222743.db2.gz	DKMFXDIFXJKMKH-ZDUSSCGKSA-N	-1	0	287.315	2.508	20	30		CFEDRM
C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)[O-])nc1	ZINC000317350048	605256248	/nfs/dbraw/zinc/25/62/48/605256248.db2.gz	YXFREGHMRCOQDB-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833371681	605280210	/nfs/dbraw/zinc/28/02/10/605280210.db2.gz	UWFMLDLUTQVZET-SSDOTTSWSA-N	-1	0	267.260	2.612	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833371682	605280304	/nfs/dbraw/zinc/28/03/04/605280304.db2.gz	UWFMLDLUTQVZET-ZETCQYMHSA-N	-1	0	267.260	2.612	20	30		CFEDRM
C=C(C)CN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833369192	605293880	/nfs/dbraw/zinc/29/38/80/605293880.db2.gz	JHZXZPKLFRQISL-UHFFFAOYSA-N	-1	0	284.699	2.959	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823491226	605311889	/nfs/dbraw/zinc/31/18/89/605311889.db2.gz	SURAYFTUQINABE-JTQLQIEISA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=CCC(CC=C)c1nc(C[C@@H](C)N(C)C(=O)[O-])no1	ZINC000823490543	605319135	/nfs/dbraw/zinc/31/91/35/605319135.db2.gz	FTEVCYSZRPTJGA-SNVBAGLBSA-N	-1	0	279.340	2.846	20	30		CFEDRM
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)ccc1NC(=O)[O-]	ZINC000829940412	605326723	/nfs/dbraw/zinc/32/67/23/605326723.db2.gz	MQZZZPSDOUHPDG-DGCLKSJQSA-N	-1	0	287.319	2.507	20	30		CFEDRM
Cc1cc(C(=O)C(C#N)c2ccccn2)ccc1NC(=O)[O-]	ZINC000829904495	605347350	/nfs/dbraw/zinc/34/73/50/605347350.db2.gz	NPHHOLSBUAOGJL-GFCCVEGCSA-N	-1	0	295.298	2.970	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2cc(Cl)ccn2)cn1	ZINC000834256289	605391702	/nfs/dbraw/zinc/39/17/02/605391702.db2.gz	PKPABRVVUSUNML-UHFFFAOYSA-N	-1	0	291.698	2.666	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000135305223	605396793	/nfs/dbraw/zinc/39/67/93/605396793.db2.gz	QGSMOFPZAOUMBB-UHFFFAOYSA-N	-1	0	262.309	2.733	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000833550514	605419194	/nfs/dbraw/zinc/41/91/94/605419194.db2.gz	ARQZGYVRTNKVGZ-HNNXBMFYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(C#N)c(Cl)c1	ZINC000825843814	605481262	/nfs/dbraw/zinc/48/12/62/605481262.db2.gz	FRPVNXBTBWFDTR-KOLCDFICSA-N	-1	0	293.754	2.837	20	30		CFEDRM
C#CCOc1ccc(CNc2ccc(NC(=O)[O-])nc2)cc1	ZINC000823462986	605519367	/nfs/dbraw/zinc/51/93/67/605519367.db2.gz	IQWLJJMXYXQPLZ-UHFFFAOYSA-N	-1	0	297.314	2.796	20	30		CFEDRM
CC(C)(CCC#N)CNc1ccc(NC(=O)[O-])nc1	ZINC000823886308	605519412	/nfs/dbraw/zinc/51/94/12/605519412.db2.gz	OSKTYFXJQJEORD-UHFFFAOYSA-N	-1	0	262.313	2.913	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823500950	605561671	/nfs/dbraw/zinc/56/16/71/605561671.db2.gz	NTBJEKOPUYRITA-AWEZNQCLSA-N	-1	0	288.347	2.586	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833361486	605573574	/nfs/dbraw/zinc/57/35/74/605573574.db2.gz	ABHFCQKTHQKIMB-UHFFFAOYSA-N	-1	0	259.305	2.907	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1OC	ZINC000833361574	605575463	/nfs/dbraw/zinc/57/54/63/605575463.db2.gz	BBFAZWOZDYSLMI-UHFFFAOYSA-N	-1	0	290.315	2.883	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(C(=O)[O-])s1	ZINC000833361667	605576793	/nfs/dbraw/zinc/57/67/93/605576793.db2.gz	GQQSMKQMRMJLSD-UHFFFAOYSA-N	-1	0	265.334	2.969	20	30		CFEDRM
CC(N=Nc1ccncc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814899682	605584657	/nfs/dbraw/zinc/58/46/57/605584657.db2.gz	IDPHXWRMBPMOCA-LLVKDONJSA-N	-1	0	263.341	2.572	20	30		CFEDRM
COCCCC(C)N=Nc1cccc(C(=O)[O-])c1	ZINC000759179035	605593866	/nfs/dbraw/zinc/59/38/66/605593866.db2.gz	HSSIMOFWGPANEW-UHFFFAOYSA-N	-1	0	250.298	2.599	20	30		CFEDRM
C#CCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000833362084	605615001	/nfs/dbraw/zinc/61/50/01/605615001.db2.gz	YQMXQJSIXWXMNU-MRXNPFEDSA-N	-1	0	287.359	2.854	20	30		CFEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1	ZINC000833361881	605673436	/nfs/dbraw/zinc/67/34/36/605673436.db2.gz	QMURGKPTHKIMSF-HNNXBMFYSA-N	-1	0	274.316	2.939	20	30		CFEDRM
N#CCc1ccc(NC[C@@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833968616	605678758	/nfs/dbraw/zinc/67/87/58/605678758.db2.gz	ULSIBKQDXCMANZ-ZDUSSCGKSA-N	-1	0	273.336	2.555	20	30		CFEDRM
C#CCCCCCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000833361880	605710368	/nfs/dbraw/zinc/71/03/68/605710368.db2.gz	QMUDBQPFWJCSHU-OAHLLOKOSA-N	-1	0	287.359	2.555	20	30		CFEDRM
C=CCCOCCCCC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000833374971	605794299	/nfs/dbraw/zinc/79/42/99/605794299.db2.gz	PMHGCUMUDBLWBN-CQSZACIVSA-N	-1	0	297.395	2.605	20	30		CFEDRM
C=CCCCC(=O)Oc1ccc(CC(=O)[O-])cc1F	ZINC000833373635	605796605	/nfs/dbraw/zinc/79/66/05/605796605.db2.gz	VHRZMVLFHOHJBU-UHFFFAOYSA-N	-1	0	266.268	2.715	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cccc(Cl)c1	ZINC000834169322	605856965	/nfs/dbraw/zinc/85/69/65/605856965.db2.gz	LXXCSMOXUWIVJF-SNVBAGLBSA-N	-1	0	267.716	2.928	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1c(F)cccc1F	ZINC000834171021	605861845	/nfs/dbraw/zinc/86/18/45/605861845.db2.gz	XCXAJBSEYPJEQH-SECBINFHSA-N	-1	0	269.251	2.553	20	30		CFEDRM
O=C([O-])Nc1cccc(COC(=O)C#Cc2ccccc2)c1	ZINC000834269881	605885396	/nfs/dbraw/zinc/88/53/96/605885396.db2.gz	VHPDRVIQEVWMOJ-UHFFFAOYSA-N	-1	0	295.294	2.871	20	30		CFEDRM
N#Cc1cccc(Cl)c1NC[C@H](NC(=O)[O-])C1CC1	ZINC000833976490	605921084	/nfs/dbraw/zinc/92/10/84/605921084.db2.gz	NMJZIRZTMKENBV-NSHDSACASA-N	-1	0	279.727	2.670	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2c(F)cccc2F)CC1	ZINC000834097342	605992198	/nfs/dbraw/zinc/99/21/98/605992198.db2.gz	ZUMFJHOPIVXUDD-UHFFFAOYSA-N	-1	0	283.278	2.897	20	30		CFEDRM
N#CCCCCOC(=O)Cc1ccccc1NC(=O)[O-]	ZINC000833969128	606089116	/nfs/dbraw/zinc/08/91/16/606089116.db2.gz	RFZFUHGESHOOOB-UHFFFAOYSA-N	-1	0	276.292	2.556	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N(CC(=O)[O-])CC2CC2)n1	ZINC000900970989	620734841	/nfs/dbraw/zinc/73/48/41/620734841.db2.gz	UMZJIFZCJNPDON-UHFFFAOYSA-N	-1	0	287.363	2.552	20	30		CFEDRM
CC[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1	ZINC000049417406	617604055	/nfs/dbraw/zinc/60/40/55/617604055.db2.gz	URBCURSXDPEOAW-GFCCVEGCSA-N	-1	0	269.366	2.875	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1	ZINC000049417947	617604291	/nfs/dbraw/zinc/60/42/91/617604291.db2.gz	HFBAVIMYGCFVAT-UHFFFAOYSA-N	-1	0	295.282	2.748	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1	ZINC000049418019	617604292	/nfs/dbraw/zinc/60/42/92/617604292.db2.gz	HVHTYFDINBMFBE-UHFFFAOYSA-N	-1	0	283.374	2.944	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)c1	ZINC000049515867	617608220	/nfs/dbraw/zinc/60/82/20/617608220.db2.gz	IDIBQFOLXMFHLE-SNVBAGLBSA-N	-1	0	297.376	2.777	20	30		CFEDRM
CC(C)(CCNc1c(C#N)cnn1-c1ccccc1)C(=O)[O-]	ZINC000900960643	620737060	/nfs/dbraw/zinc/73/70/60/620737060.db2.gz	BSOKTTBGWOHKJN-UHFFFAOYSA-N	-1	0	298.346	2.657	20	30		CFEDRM
CCc1nc(C#N)cc(N[C@H](CCC(C)(C)C)C(=O)[O-])n1	ZINC000900961136	620737131	/nfs/dbraw/zinc/73/71/31/620737131.db2.gz	GEDDDSOWFRHWHB-LLVKDONJSA-N	-1	0	290.367	2.602	20	30		CFEDRM
Cc1ccc(C#N)nc1NC[C@H](CC(=O)[O-])CC(C)C	ZINC000900966046	620738176	/nfs/dbraw/zinc/73/81/76/620738176.db2.gz	RTRTWMRCCICXBE-LBPRGKRZSA-N	-1	0	275.352	2.811	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000890556952	617649470	/nfs/dbraw/zinc/64/94/70/617649470.db2.gz	PYMFFZWWRWSVSC-VIFPVBQESA-N	-1	0	251.713	2.836	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(O)cc2C#N)n1	ZINC000901036006	620744778	/nfs/dbraw/zinc/74/47/78/620744778.db2.gz	ZSPVREKEAKAKKB-UHFFFAOYSA-N	-1	0	285.303	2.581	20	30		CFEDRM
CC(C)(C)n1cc(-c2cccc(OCC(=O)[O-])c2C#N)cn1	ZINC000901070619	620746796	/nfs/dbraw/zinc/74/67/96/620746796.db2.gz	SHBQAOVQEGCOHM-UHFFFAOYSA-N	-1	0	299.330	2.640	20	30		CFEDRM
O=C(/C=C\c1cccc2c1OCCO2)c1ccc(O)cc1[O-]	ZINC000255013485	617747803	/nfs/dbraw/zinc/74/78/03/617747803.db2.gz	QXDLPZQCQAVAOA-DAXSKMNVSA-N	-1	0	298.294	2.765	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)s1	ZINC000121565014	617748938	/nfs/dbraw/zinc/74/89/38/617748938.db2.gz	WWJUIUWPUUDRLN-SNVBAGLBSA-N	-1	0	290.388	2.647	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])cc3)C2)CO1	ZINC000901117841	620752684	/nfs/dbraw/zinc/75/26/84/620752684.db2.gz	DNXJKRGBSSSOGX-INHVJJQHSA-N	-1	0	274.320	2.742	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccc3[nH]ccc32)c1	ZINC000176181197	617843311	/nfs/dbraw/zinc/84/33/11/617843311.db2.gz	AZVKOHAOQXYPAZ-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
CCCCNN=Cc1cc(C(=O)[O-])ccc1Br	ZINC000901170219	620761145	/nfs/dbraw/zinc/76/11/45/620761145.db2.gz	SYAVMAQZDOGERE-UHFFFAOYSA-N	-1	0	299.168	2.871	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1s[n-]c(=O)c1Cl	ZINC000890812389	617910384	/nfs/dbraw/zinc/91/03/84/617910384.db2.gz	KBJSHSHJKNHNKN-UHFFFAOYSA-N	-1	0	274.773	2.930	20	30		CFEDRM
CCOC(=O)C(C)(C)ON=Cc1c(C)ccc(F)c1O	ZINC000901249825	620771882	/nfs/dbraw/zinc/77/18/82/620771882.db2.gz	IXZYNGMXZWGYMV-UHFFFAOYSA-N	-1	0	283.299	2.532	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000049003922	618077832	/nfs/dbraw/zinc/07/78/32/618077832.db2.gz	NKILQNRUDBWNPC-LBPRGKRZSA-N	-1	0	299.392	2.764	20	30		CFEDRM
Cc1ccc(C=NN[C@@H]2CCCSC2)cc1C(=O)[O-]	ZINC000901278179	620775739	/nfs/dbraw/zinc/77/57/39/620775739.db2.gz	NBXSDEAUDVOGMJ-GFCCVEGCSA-N	-1	0	278.377	2.512	20	30		CFEDRM
C=C[C@@H](C)ONC(=O)C[C@@H](C)c1ccc(F)cc1	ZINC000846551540	618114239	/nfs/dbraw/zinc/11/42/39/618114239.db2.gz	WKKYBWSAJVOLMB-GHMZBOCLSA-N	-1	0	251.301	2.942	20	30		CFEDRM
CCn1cc(C=NNc2cccc(C(=O)[O-])c2C)c(C)n1	ZINC000901261526	620777705	/nfs/dbraw/zinc/77/77/05/620777705.db2.gz	KXNWCIKFJWSCKK-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccccc1C(C)C	ZINC000092465826	618181127	/nfs/dbraw/zinc/18/11/27/618181127.db2.gz	VZPWUHIMQUSVAO-UHFFFAOYSA-N	-1	0	276.336	2.915	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2F)c1	ZINC000176819824	618205772	/nfs/dbraw/zinc/20/57/72/618205772.db2.gz	DSZSRGSBWDAIMX-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CON=Cc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000255359304	618212091	/nfs/dbraw/zinc/21/20/91/618212091.db2.gz	MJGKJXNDPMESFE-ZDUSSCGKSA-N	-1	0	299.355	2.922	20	30		CFEDRM
CC[C@H](NN=Cc1csc(Cl)c1Cl)C(=O)[O-]	ZINC000309750579	618234966	/nfs/dbraw/zinc/23/49/66/618234966.db2.gz	KKZIUNXBSPGLHJ-LURJTMIESA-N	-1	0	281.164	2.842	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])o1	ZINC000176955528	618246715	/nfs/dbraw/zinc/24/67/15/618246715.db2.gz	XWWLKZNQFTXBPG-ZZXKWVIFSA-N	-1	0	290.246	2.807	20	30		CFEDRM
O=C(/C=C\c1cnc2ccccn12)c1ccccc1[O-]	ZINC000255697741	618265717	/nfs/dbraw/zinc/26/57/17/618265717.db2.gz	WHXLKDGDVPPEOC-HJWRWDBZSA-N	-1	0	264.284	2.936	20	30		CFEDRM
CCn1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cn1	ZINC000255752485	618276216	/nfs/dbraw/zinc/27/62/16/618276216.db2.gz	BOEBORWWUHMEHA-ARJAWSKDSA-N	-1	0	278.258	2.783	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)CCC(C)(C)CC	ZINC000893301532	618281460	/nfs/dbraw/zinc/28/14/60/618281460.db2.gz	WVVWKMLLTMDJQF-UHFFFAOYSA-N	-1	0	289.441	2.861	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cc(C(=O)[O-])cs1	ZINC000814886521	618340046	/nfs/dbraw/zinc/34/00/46/618340046.db2.gz	BCCGCBCYLZELCV-NSHDSACASA-N	-1	0	269.322	2.714	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc3nccnc3c2)cc1	ZINC000013142389	618377372	/nfs/dbraw/zinc/37/73/72/618377372.db2.gz	YARNNPMHKWLMOC-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(C2CC2)o1	ZINC000892495742	618386983	/nfs/dbraw/zinc/38/69/83/618386983.db2.gz	SSWRTZWLZJZUEI-GFCCVEGCSA-N	-1	0	295.298	2.513	20	30		CFEDRM
CCC(=NOCCSC)c1ccc(C(=O)[O-])cc1	ZINC000794572110	618428716	/nfs/dbraw/zinc/42/87/16/618428716.db2.gz	KOGMUQHRYRHCMU-UHFFFAOYSA-N	-1	0	267.350	2.879	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909504321	618457733	/nfs/dbraw/zinc/45/77/33/618457733.db2.gz	BFSMJBWJPNERRG-VIFPVBQESA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000892958599	618783469	/nfs/dbraw/zinc/78/34/69/618783469.db2.gz	NOVQVKDNTWICIW-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Cl)c1	ZINC000119685077	618806030	/nfs/dbraw/zinc/80/60/30/618806030.db2.gz	APZVTCVKQPAYIW-ZDUSSCGKSA-N	-1	0	290.750	2.721	20	30		CFEDRM
N#Cc1ccc2ncc(C=CC(=O)c3sccc3[O-])n2c1	ZINC000184516345	618915752	/nfs/dbraw/zinc/91/57/52/618915752.db2.gz	SFWBLWFIFBJTAH-NSCUHMNNSA-N	-1	0	295.323	2.869	20	30		CFEDRM
C#CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000909369591	619014173	/nfs/dbraw/zinc/01/41/73/619014173.db2.gz	FHEAZFPCYJVJNY-CYBMUJFWSA-N	-1	0	293.750	2.776	20	30		CFEDRM
CC(C)OCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077879554	619124799	/nfs/dbraw/zinc/12/47/99/619124799.db2.gz	QPEVGOZCKNWPSD-LBPRGKRZSA-N	-1	0	299.392	2.849	20	30		CFEDRM
C=CCN(C(=O)c1cc(F)cc(F)c1[O-])C(C)C	ZINC000931925262	619159966	/nfs/dbraw/zinc/15/99/66/619159966.db2.gz	NXLMAEPBSAXNGF-UHFFFAOYSA-N	-1	0	255.264	2.707	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(F)F)cc1	ZINC000726729951	619259470	/nfs/dbraw/zinc/25/94/70/619259470.db2.gz	VQSBOJSNKZFCPS-LBPRGKRZSA-N	-1	0	292.285	2.569	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cncc(F)c1	ZINC000078022952	619298630	/nfs/dbraw/zinc/29/86/30/619298630.db2.gz	KWYFYSYDQPKXQM-DUXPYHPUSA-N	-1	0	288.234	2.731	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000048504273	619345423	/nfs/dbraw/zinc/34/54/23/619345423.db2.gz	PUFZEAOWSSOCAL-NTMALXAHSA-N	-1	0	290.344	2.560	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C1=Cc2ccccc2OC1	ZINC000048505850	619346410	/nfs/dbraw/zinc/34/64/10/619346410.db2.gz	BMBOSMAWKIDZQF-UHFFFAOYSA-N	-1	0	295.360	2.549	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518926	619348809	/nfs/dbraw/zinc/34/88/09/619348809.db2.gz	RLNPLZCBJXBLFX-UHFFFAOYSA-N	-1	0	261.730	2.785	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518933	619349038	/nfs/dbraw/zinc/34/90/38/619349038.db2.gz	GPMYOOSFOGWJSI-JGVFFNPUSA-N	-1	0	273.741	2.641	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C2CC2)cc1	ZINC000048519068	619349406	/nfs/dbraw/zinc/34/94/06/619349406.db2.gz	GHUFNNAWJGHBQL-KTKRTIGZSA-N	-1	0	295.360	2.697	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000048519155	619349552	/nfs/dbraw/zinc/34/95/52/619349552.db2.gz	WPEXXIJXFBPQBC-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519412	619349775	/nfs/dbraw/zinc/34/97/75/619349775.db2.gz	ACANLRBEQFMPJG-UHFFFAOYSA-N	-1	0	269.366	2.909	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c1	ZINC000048519368	619349912	/nfs/dbraw/zinc/34/99/12/619349912.db2.gz	QUWRDFQCPJDHMH-UHFFFAOYSA-N	-1	0	289.356	2.830	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519398	619349949	/nfs/dbraw/zinc/34/99/49/619349949.db2.gz	SRIIKEANFFQUSS-UHFFFAOYSA-N	-1	0	255.339	2.519	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1	ZINC000048619390	619362264	/nfs/dbraw/zinc/36/22/64/619362264.db2.gz	VZNIJTVAICDZKZ-UHFFFAOYSA-N	-1	0	271.382	2.819	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894446611	619387944	/nfs/dbraw/zinc/38/79/44/619387944.db2.gz	WPEPTVMJBFMIQR-AWEZNQCLSA-N	-1	0	266.291	2.796	20	30		CFEDRM
C=CCC[C@@H](NCc1ccc(O)c(F)c1)C(=O)OCC	ZINC000894758270	619458727	/nfs/dbraw/zinc/45/87/27/619458727.db2.gz	GDTQPMDIJPQJAY-CYBMUJFWSA-N	-1	0	281.327	2.519	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(CSC(F)F)o1)C(=O)[O-]	ZINC000793071346	619506856	/nfs/dbraw/zinc/50/68/56/619506856.db2.gz	IIYAHARGTJWIDC-VIFPVBQESA-N	-1	0	292.307	2.522	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](C)c2c1cccc2C)C(=O)[O-]	ZINC000793072592	619506768	/nfs/dbraw/zinc/50/67/68/619506768.db2.gz	NXWHSAKDBDXQAC-JQWIXIFHSA-N	-1	0	260.337	2.659	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1cc(F)ccc1F	ZINC000793081891	619508074	/nfs/dbraw/zinc/50/80/74/619508074.db2.gz	OONZAFVPWVCZKE-GFCCVEGCSA-N	-1	0	270.279	2.532	20	30		CFEDRM
C[C@H](NN=Cc1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C	ZINC000793115703	619510340	/nfs/dbraw/zinc/51/03/40/619510340.db2.gz	SRJWMNOELFSQFM-VIFPVBQESA-N	-1	0	265.313	2.659	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)C1CC1	ZINC000049134958	619535102	/nfs/dbraw/zinc/53/51/02/619535102.db2.gz	IYZMVYKSGABRIQ-SNVBAGLBSA-N	-1	0	267.350	2.768	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)C1CC1	ZINC000049135233	619535359	/nfs/dbraw/zinc/53/53/59/619535359.db2.gz	XEPFAXJUMJQSDW-LLVKDONJSA-N	-1	0	281.377	2.909	20	30		CFEDRM
C=C(C)C[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCC	ZINC000895592788	619565754	/nfs/dbraw/zinc/56/57/54/619565754.db2.gz	SXTNIHXBBPITAW-LBPRGKRZSA-N	-1	0	299.317	2.658	20	30		CFEDRM
N#CC[C@@H](NCc1c(O)cccc1Cl)C(F)(F)F	ZINC000896710030	619795769	/nfs/dbraw/zinc/79/57/69/619795769.db2.gz	BUHDVRJAJVMRFL-SNVBAGLBSA-N	-1	0	278.661	2.980	20	30		CFEDRM
CC(F)(F)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840705893	619844254	/nfs/dbraw/zinc/84/42/54/619844254.db2.gz	GEZAISBNFYNMEW-VGOFMYFVSA-N	-1	0	258.224	2.765	20	30		CFEDRM
CC(C)C[C@@H](Nc1cccc(F)c1C#N)C(=O)[O-]	ZINC000093396153	620028658	/nfs/dbraw/zinc/02/86/58/620028658.db2.gz	UHGOYFFMKCOURM-GFCCVEGCSA-N	-1	0	250.273	2.609	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000909656188	620038172	/nfs/dbraw/zinc/03/81/72/620038172.db2.gz	PHONGQRVBKCYNY-OBJOEFQTSA-N	-1	0	275.348	2.572	20	30		CFEDRM
COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832514639	625395178	/nfs/dbraw/zinc/39/51/78/625395178.db2.gz	HPTVKSLENUGKLS-VURMDHGXSA-N	-1	0	271.272	2.618	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2cc(C#N)ccc2C(F)(F)F)C1	ZINC000263434692	620144195	/nfs/dbraw/zinc/14/41/95/620144195.db2.gz	UVJWSJCGPWDLEG-ZDUSSCGKSA-N	-1	0	298.264	2.878	20	30		CFEDRM
CC(C)(C)c1coc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000898300749	620367736	/nfs/dbraw/zinc/36/77/36/620367736.db2.gz	DOILHDDZCFMFEA-UHFFFAOYSA-N	-1	0	285.303	2.802	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCOC23CCCC3)c1	ZINC000899231442	620533826	/nfs/dbraw/zinc/53/38/26/620533826.db2.gz	DFNHJVARTXDIJN-FBKCMUNRSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000899298413	620542788	/nfs/dbraw/zinc/54/27/88/620542788.db2.gz	LYEYAEDXGYYBAI-LLVKDONJSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCCc1ccccc1C(=O)[O-]	ZINC000899304313	620543152	/nfs/dbraw/zinc/54/31/52/620543152.db2.gz	VYTWJNYJGBERMB-GFCCVEGCSA-N	-1	0	275.348	2.646	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000042233583	620574107	/nfs/dbraw/zinc/57/41/07/620574107.db2.gz	LWTPLVFQFPOOFR-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000899536240	620580135	/nfs/dbraw/zinc/58/01/35/620580135.db2.gz	GLUNOJMCLDRMKI-LBPRGKRZSA-N	-1	0	291.347	2.999	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccsc1	ZINC000042249614	620584454	/nfs/dbraw/zinc/58/44/54/620584454.db2.gz	DKNLNNLILCRUJJ-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC000899759585	620597601	/nfs/dbraw/zinc/59/76/01/620597601.db2.gz	SBNKPUKDORBQBD-GFCCVEGCSA-N	-1	0	274.320	2.634	20	30		CFEDRM
C=CCCCNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899778496	620598534	/nfs/dbraw/zinc/59/85/34/620598534.db2.gz	IFZMSVJREWXSPX-CQSZACIVSA-N	-1	0	275.348	2.636	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899773929	620598906	/nfs/dbraw/zinc/59/89/06/620598906.db2.gz	AKOXNQINXBXUSW-MLGOLLRUSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CC1CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)CC1	ZINC000899816802	620604259	/nfs/dbraw/zinc/60/42/59/620604259.db2.gz	IJUXGIOVZRMJBN-CYBMUJFWSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@](C)(CC)CC(=O)[O-])CC1	ZINC000899837268	620604985	/nfs/dbraw/zinc/60/49/85/620604985.db2.gz	UKZNOWLLJMQZOZ-OAHLLOKOSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#Cc1ccc(NC(=O)CC(C)(C)C(=O)[O-])c(Cl)c1	ZINC000899843067	620605704	/nfs/dbraw/zinc/60/57/04/620605704.db2.gz	NMTMRRSLTSSNGE-UHFFFAOYSA-N	-1	0	279.723	2.761	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000901449184	620824612	/nfs/dbraw/zinc/82/46/12/620824612.db2.gz	HXCOCITYTLJFQR-UXIGCNINSA-N	-1	0	257.333	2.969	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000901466803	620830928	/nfs/dbraw/zinc/83/09/28/620830928.db2.gz	AEINJOFASNMKFP-CYBMUJFWSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000901472158	620832684	/nfs/dbraw/zinc/83/26/84/620832684.db2.gz	AEINJOFASNMKFP-ZDUSSCGKSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cn(-c2cccc(C)c2)nc1C	ZINC000901586136	620862600	/nfs/dbraw/zinc/86/26/00/620862600.db2.gz	KPNDCKWORFCKTG-UHFFFAOYSA-N	-1	0	299.374	2.562	20	30		CFEDRM
C=CCOC[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901808000	620921367	/nfs/dbraw/zinc/92/13/67/620921367.db2.gz	ABLSUMFAPPWOPO-DGCLKSJQSA-N	-1	0	289.331	2.739	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902137013	620980144	/nfs/dbraw/zinc/98/01/44/620980144.db2.gz	XJYOBWSHKWHHHR-WAYWQWQTSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000902631251	621139482	/nfs/dbraw/zinc/13/94/82/621139482.db2.gz	RPQFVWLYDYMZCJ-INIZCTEOSA-N	-1	0	279.380	2.906	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1SCC	ZINC000903596832	621404422	/nfs/dbraw/zinc/40/44/22/621404422.db2.gz	TYQVCXQMWWAOCI-UHFFFAOYSA-N	-1	0	265.378	2.871	20	30		CFEDRM
C=C(Br)CN1CCc2cc(C(=O)[O-])ccc2C1	ZINC000903619333	621406627	/nfs/dbraw/zinc/40/66/27/621406627.db2.gz	XDJFPUPZSSYYEB-UHFFFAOYSA-N	-1	0	296.164	2.652	20	30		CFEDRM
N#Cc1cccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904189142	621545936	/nfs/dbraw/zinc/54/59/36/621545936.db2.gz	BSWNOLBMKIDLSL-QWHCGFSZSA-N	-1	0	271.320	2.549	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904245862	621555445	/nfs/dbraw/zinc/55/54/45/621555445.db2.gz	FYUBTOMTGCRKGL-UONOGXRCSA-N	-1	0	285.347	2.857	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC000905016803	621682479	/nfs/dbraw/zinc/68/24/79/621682479.db2.gz	XKRDKNUDDHKIER-ZDUSSCGKSA-N	-1	0	276.336	2.926	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC(CC(C)C)C2CCOCC2)n1	ZINC000905417270	621764131	/nfs/dbraw/zinc/76/41/31/621764131.db2.gz	PLLULBOEDRGPSZ-UHFFFAOYSA-N	-1	0	292.383	2.731	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccc(C(=O)[O-])cc1C	ZINC000905455300	621776216	/nfs/dbraw/zinc/77/62/16/621776216.db2.gz	GDDCFGUHXHFYPS-UHFFFAOYSA-N	-1	0	275.226	2.996	20	30		CFEDRM
CC(=NNC[C@@H](C)C#N)c1ccc(O)cc1Cl	ZINC000905455755	621776390	/nfs/dbraw/zinc/77/63/90/621776390.db2.gz	LKGKCQOJAVAFDL-QMMMGPOBSA-N	-1	0	251.717	2.519	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NOCC1CCC1	ZINC000905493475	621785107	/nfs/dbraw/zinc/78/51/07/621785107.db2.gz	ZUXDPSOUGKBWBD-UHFFFAOYSA-N	-1	0	268.700	2.584	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000907576799	622138186	/nfs/dbraw/zinc/13/81/86/622138186.db2.gz	LKMWBTIWAAKMRF-OTYXRUKQSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000907579185	622139243	/nfs/dbraw/zinc/13/92/43/622139243.db2.gz	OAVBNYBANGNEDN-BLLLJJGKSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000907585630	622139752	/nfs/dbraw/zinc/13/97/52/622139752.db2.gz	HKJNYQDKZRCTAC-ZFWWWQNUSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000907586139	622139998	/nfs/dbraw/zinc/13/99/98/622139998.db2.gz	WZNODQFZVXFBMM-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000907596326	622141305	/nfs/dbraw/zinc/14/13/05/622141305.db2.gz	APPQQKVPOXFTJB-JSGCOSHPSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000907658595	622148265	/nfs/dbraw/zinc/14/82/65/622148265.db2.gz	CBBSVTNHROFWPO-RISCZKNCSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CC1(CC(=O)N[C@](C)(CCF)C(=O)[O-])CCCCC1	ZINC000907709477	622154308	/nfs/dbraw/zinc/15/43/08/622154308.db2.gz	VXABDWLZHUTUIR-CQSZACIVSA-N	-1	0	285.359	2.832	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907737801	622154785	/nfs/dbraw/zinc/15/47/85/622154785.db2.gz	YZCJZHNUXVTVAS-VBQJREDUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000907744101	622155938	/nfs/dbraw/zinc/15/59/38/622155938.db2.gz	PORVBBJJAGKMLT-YFKTTZPYSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCCCC1	ZINC000907722842	622156694	/nfs/dbraw/zinc/15/66/94/622156694.db2.gz	AUULSYDFDAGJEY-CYBMUJFWSA-N	-1	0	277.364	2.803	20	30		CFEDRM
N#CCC1(COC(=O)CCc2ccc(C(=O)[O-])cc2)CC1	ZINC000833062556	625545463	/nfs/dbraw/zinc/54/54/63/625545463.db2.gz	NCCBNSNPKIZRGE-UHFFFAOYSA-N	-1	0	287.315	2.554	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907981624	622181345	/nfs/dbraw/zinc/18/13/45/622181345.db2.gz	CALDZGOIEINHBR-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
N#CCC1(COC(=O)c2cccc(NC(=O)[O-])c2)CC1	ZINC000833062712	625546256	/nfs/dbraw/zinc/54/62/56/625546256.db2.gz	OVSNZPZPCCYYEP-UHFFFAOYSA-N	-1	0	274.276	2.627	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000908007673	622185376	/nfs/dbraw/zinc/18/53/76/622185376.db2.gz	PWAOTVCZTMXMOW-UONOGXRCSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908084165	622191807	/nfs/dbraw/zinc/19/18/07/622191807.db2.gz	GFHCICFUFFWUMD-UHFFFAOYSA-N	-1	0	275.348	2.879	20	30		CFEDRM
N#CC1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCCCC1	ZINC000908073153	622193059	/nfs/dbraw/zinc/19/30/59/622193059.db2.gz	VRWVDNFHHBZHFR-UHFFFAOYSA-N	-1	0	298.342	2.748	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908072246	622193229	/nfs/dbraw/zinc/19/32/29/622193229.db2.gz	QDIAGRBHIXFWNE-NSHDSACASA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908228698	622206064	/nfs/dbraw/zinc/20/60/64/622206064.db2.gz	IFOMKDACUCTCSM-CQSZACIVSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908237862	622207182	/nfs/dbraw/zinc/20/71/82/622207182.db2.gz	QLEQAZIYOHLCMJ-YOEHRIQHSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])C1	ZINC000908287441	622213162	/nfs/dbraw/zinc/21/31/62/622213162.db2.gz	DOGFPLHUQWRNIQ-ZDUSSCGKSA-N	-1	0	279.380	2.740	20	30		CFEDRM
N#CC1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CCCC1	ZINC000908337365	622217289	/nfs/dbraw/zinc/21/72/89/622217289.db2.gz	CDTLFQFHGUAZLD-UHFFFAOYSA-N	-1	0	292.379	2.612	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000908588415	622249734	/nfs/dbraw/zinc/24/97/34/622249734.db2.gz	VTEANWWDCCSAPZ-HNNXBMFYSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1cccc([C@@H](C)CC)c1)C(=O)[O-]	ZINC000908626901	622250164	/nfs/dbraw/zinc/25/01/64/622250164.db2.gz	FBRSOYZKTZXBDR-FZMZJTMJSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000908646154	622253615	/nfs/dbraw/zinc/25/36/15/622253615.db2.gz	IXRIWUMXLBDHOG-INIZCTEOSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000908682058	622259031	/nfs/dbraw/zinc/25/90/31/622259031.db2.gz	RERQSENITZCQMM-VIFPVBQESA-N	-1	0	297.380	2.807	20	30		CFEDRM
C#CCCCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-]	ZINC000908837025	622279256	/nfs/dbraw/zinc/27/92/56/622279256.db2.gz	GNJAHVYSIPZKDN-AWEZNQCLSA-N	-1	0	287.359	2.539	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000908896545	622285513	/nfs/dbraw/zinc/28/55/13/622285513.db2.gz	VWJYFFCNHYQMKW-CQSZACIVSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=C(C)CCNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1	ZINC000909029894	622297818	/nfs/dbraw/zinc/29/78/18/622297818.db2.gz	FNSKYHRXFYQPDQ-CYBMUJFWSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909133662	622316862	/nfs/dbraw/zinc/31/68/62/622316862.db2.gz	FEEKQHALGDUHPS-INIZCTEOSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909133663	622317126	/nfs/dbraw/zinc/31/71/26/622317126.db2.gz	FEEKQHALGDUHPS-MRXNPFEDSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=CCC(C)(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909135895	622320330	/nfs/dbraw/zinc/32/03/30/622320330.db2.gz	AXUOUDZICGHTSE-UHFFFAOYSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1	ZINC000909294673	622335980	/nfs/dbraw/zinc/33/59/80/622335980.db2.gz	KBYHDNBFUWZZLN-UHFFFAOYSA-N	-1	0	259.305	2.988	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000909296539	622336586	/nfs/dbraw/zinc/33/65/86/622336586.db2.gz	PAPXRROVAZYMFG-UHFFFAOYSA-N	-1	0	263.268	2.819	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)CC1	ZINC000909699235	622342600	/nfs/dbraw/zinc/34/26/00/622342600.db2.gz	PQVNRNVMAIZILW-MRXNPFEDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000909713809	622344659	/nfs/dbraw/zinc/34/46/59/622344659.db2.gz	SGXINUIQWIWWIO-USKTWTLRSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000909813596	622355832	/nfs/dbraw/zinc/35/58/32/622355832.db2.gz	KXHBGJNZFDYFJM-HUUCEWRRSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000909846441	622360572	/nfs/dbraw/zinc/36/05/72/622360572.db2.gz	ROZKCCBKDYHDPI-KRWDZBQOSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910054036	622392946	/nfs/dbraw/zinc/39/29/46/622392946.db2.gz	HRZJLKNINQYJCI-XHSDSOJGSA-N	-1	0	299.370	2.506	20	30		CFEDRM
C=C1CCC(C(=O)N2CCC[C@]2(CCC)C(=O)[O-])CC1	ZINC000910112875	622406625	/nfs/dbraw/zinc/40/66/25/622406625.db2.gz	BIUVYEONHPHNFM-MRXNPFEDSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910164558	622407719	/nfs/dbraw/zinc/40/77/19/622407719.db2.gz	VWAZWPIRDNWKJA-LRDDRELGSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910197093	622408728	/nfs/dbraw/zinc/40/87/28/622408728.db2.gz	XQFSZFMMQIMRGD-MRXNPFEDSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000910201028	622409155	/nfs/dbraw/zinc/40/91/55/622409155.db2.gz	PLKGDTAZYTWZDD-GJZGRUSLSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910232709	622414552	/nfs/dbraw/zinc/41/45/52/622414552.db2.gz	FPQYYMKUGWZMNU-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC1(CNC(=O)c2ccoc2CC(=O)[O-])CCCC1	ZINC000910240892	622416875	/nfs/dbraw/zinc/41/68/75/622416875.db2.gz	DUDIILZNVQZFLT-UHFFFAOYSA-N	-1	0	291.347	2.773	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)C(=O)[O-]	ZINC000910242167	622417437	/nfs/dbraw/zinc/41/74/37/622417437.db2.gz	QHXIXYKCCPQXIU-AWEZNQCLSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)CC1	ZINC000910243932	622417855	/nfs/dbraw/zinc/41/78/55/622417855.db2.gz	GIBCJTATNBSAFV-SOUVJXGZSA-N	-1	0	291.391	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910272134	622422572	/nfs/dbraw/zinc/42/25/72/622422572.db2.gz	SKGTYVGZECJNTI-WCQYABFASA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910272136	622422773	/nfs/dbraw/zinc/42/27/73/622422773.db2.gz	SKGTYVGZECJNTI-YPMHNXCESA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cscc1C(F)F)C(=O)[O-]	ZINC000910294602	622430663	/nfs/dbraw/zinc/43/06/63/622430663.db2.gz	QSOSWEHBWOIEMA-SECBINFHSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cscc1C(F)F)C(=O)[O-]	ZINC000910294618	622430700	/nfs/dbraw/zinc/43/07/00/622430700.db2.gz	QSOSWEHBWOIEMA-VIFPVBQESA-N	-1	0	289.303	2.835	20	30		CFEDRM
CC1(C#N)CCN(Cc2ccc(C(=O)[O-])cc2F)CC1	ZINC000833550820	625569566	/nfs/dbraw/zinc/56/95/66/625569566.db2.gz	DPBMZGSXTWADBW-UHFFFAOYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
N#Cc1cccc(N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1	ZINC000910458644	622446559	/nfs/dbraw/zinc/44/65/59/622446559.db2.gz	YNMFTTPKVZSSIR-HIFRSBDPSA-N	-1	0	299.374	2.813	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC000910458272	622446783	/nfs/dbraw/zinc/44/67/83/622446783.db2.gz	KCSZAJYBQCDMHR-CQSZACIVSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000910912883	622485865	/nfs/dbraw/zinc/48/58/65/622485865.db2.gz	PPVHGCYPPPBQPH-LLVKDONJSA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000910913847	622486118	/nfs/dbraw/zinc/48/61/18/622486118.db2.gz	DRXCCDCUEVIHGZ-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)c(OC)c1)C(=O)[O-]	ZINC000910917938	622487177	/nfs/dbraw/zinc/48/71/77/622487177.db2.gz	GGDXEMXGJWELDN-CYBMUJFWSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCc1ccsc1)C(=O)[O-]	ZINC000910918203	622487382	/nfs/dbraw/zinc/48/73/82/622487382.db2.gz	IPKJOQSQHFNFSO-GFCCVEGCSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000910922647	622487803	/nfs/dbraw/zinc/48/78/03/622487803.db2.gz	LRZZJNOWBPUTIV-QWHCGFSZSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910923270	622487844	/nfs/dbraw/zinc/48/78/44/622487844.db2.gz	RMXJGLWSOZLBSF-SNVBAGLBSA-N	-1	0	291.338	2.984	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCCC1CCOCC1)C(=O)[O-]	ZINC000910924862	622488185	/nfs/dbraw/zinc/48/81/85/622488185.db2.gz	FSIBLKPADFJCMG-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C\C1CCCC1)C(=O)[O-]	ZINC000910925689	622488228	/nfs/dbraw/zinc/48/82/28/622488228.db2.gz	NOGPULRIUPLTAL-OEYXZAGESA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000910926818	622488620	/nfs/dbraw/zinc/48/86/20/622488620.db2.gz	URBUIOUXAYHDKF-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910961490	622490231	/nfs/dbraw/zinc/49/02/31/622490231.db2.gz	URTWULZBWNOKQD-NSHDSACASA-N	-1	0	291.347	2.867	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910948316	622492247	/nfs/dbraw/zinc/49/22/47/622492247.db2.gz	XWIPAOYBTGDGNS-UHFFFAOYSA-N	-1	0	277.345	2.849	20	30		CFEDRM
C=C1CCC(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1	ZINC000910990006	622495943	/nfs/dbraw/zinc/49/59/43/622495943.db2.gz	GSKDAVKGJPCPGP-VQHVLOKHSA-N	-1	0	289.331	2.854	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1	ZINC000911073318	622503837	/nfs/dbraw/zinc/50/38/37/622503837.db2.gz	QWKQSNIQVXZISD-UHFFFAOYSA-N	-1	0	259.305	2.988	20	30		CFEDRM
CO[C@H]1C[C@H]2CC(N=Nc3ccc(C(=O)[O-])cc3)C[C@H]2C1	ZINC000819800917	622559591	/nfs/dbraw/zinc/55/95/91/622559591.db2.gz	FQGGVOJHSCSALV-JYAVWHMHSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C[C@H](N=NC1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccncc1	ZINC000819819408	622564035	/nfs/dbraw/zinc/56/40/35/622564035.db2.gz	ZCIUYHRDMUBJCQ-SUNKGSAMSA-N	-1	0	275.352	2.609	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(C)cc1Br	ZINC000164339176	622949562	/nfs/dbraw/zinc/94/95/62/622949562.db2.gz	NSYPNCULCABFIC-UHFFFAOYSA-N	-1	0	298.180	2.830	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c[nH]1	ZINC000156673442	622953327	/nfs/dbraw/zinc/95/33/27/622953327.db2.gz	WFGPQHJFGHBJSU-DUXPYHPUSA-N	-1	0	289.262	2.542	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708862	623093312	/nfs/dbraw/zinc/09/33/12/623093312.db2.gz	RCCMMVRFFFWYLQ-XCBNKYQSSA-N	-1	0	273.741	2.641	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(F)c1	ZINC000168483507	623095742	/nfs/dbraw/zinc/09/57/42/623095742.db2.gz	LSVKWODLWSEIBZ-MNOVXSKESA-N	-1	0	290.294	2.527	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1	ZINC000046929493	623105507	/nfs/dbraw/zinc/10/55/07/623105507.db2.gz	GGVVJFGAUJWKTH-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
C#CCCCCNC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000229758057	623223128	/nfs/dbraw/zinc/22/31/28/623223128.db2.gz	VPQVDPBHWYHIRK-UHFFFAOYSA-N	-1	0	294.395	2.513	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](CCCC)C(=O)[O-]	ZINC000184959331	625664769	/nfs/dbraw/zinc/66/47/69/625664769.db2.gz	IMTVTQVGRAVIKW-GFCCVEGCSA-N	-1	0	253.342	2.514	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC[C@H]1CCOC1	ZINC000788031590	623951125	/nfs/dbraw/zinc/95/11/25/623951125.db2.gz	GAOLJVXYKHHNTJ-QMMMGPOBSA-N	-1	0	273.691	2.572	20	30		CFEDRM
CSCCON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814921884	624119467	/nfs/dbraw/zinc/11/94/67/624119467.db2.gz	IDJYLNCVINKUJB-MNOVXSKESA-N	-1	0	273.398	2.879	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1coc2ccc(CC)cc12	ZINC000828158416	624189429	/nfs/dbraw/zinc/18/94/29/624189429.db2.gz	URKXRLKUMPRHJI-UHFFFAOYSA-N	-1	0	287.315	2.708	20	30		CFEDRM
Cc1n[nH]c(C)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000915940023	624194765	/nfs/dbraw/zinc/19/47/65/624194765.db2.gz	ZSICCNQSAFBSMZ-UHFFFAOYSA-N	-1	0	292.726	2.824	20	30		CFEDRM
CCCC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1	ZINC000916282976	624232793	/nfs/dbraw/zinc/23/27/93/624232793.db2.gz	WPEYDXQARJYROY-UHFFFAOYSA-N	-1	0	271.324	2.502	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc3c2OCCO3)c1	ZINC000917530863	624355804	/nfs/dbraw/zinc/35/58/04/624355804.db2.gz	GRUSTYHZMMKGKL-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328114	624710304	/nfs/dbraw/zinc/71/03/04/624710304.db2.gz	MHSNKJWNYARUJZ-UHFFFAOYSA-N	-1	0	277.295	2.866	20	30		CFEDRM
CC(C)C#CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000831686140	625097054	/nfs/dbraw/zinc/09/70/54/625097054.db2.gz	LBTJKHFNCVUQNA-UHFFFAOYSA-N	-1	0	282.683	2.552	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCOC(C)C)cc1C	ZINC000069535767	625143959	/nfs/dbraw/zinc/14/39/59/625143959.db2.gz	HDBSSFVGFHSRFM-UHFFFAOYSA-N	-1	0	299.392	2.764	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccncc1	ZINC000182243090	625273575	/nfs/dbraw/zinc/27/35/75/625273575.db2.gz	FERNYGYFYJXDOR-DUXPYHPUSA-N	-1	0	270.244	2.592	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N1CCOC[C@@H]1C(=O)[O-]	ZINC000851598214	634449527	/nfs/dbraw/zinc/44/95/27/634449527.db2.gz	OCZGTHSNFCJKDQ-UONOGXRCSA-N	-1	0	299.411	2.685	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C	ZINC000073086758	625771660	/nfs/dbraw/zinc/77/16/60/625771660.db2.gz	WUWZFYVLIZEJBV-NSHDSACASA-N	-1	0	269.366	2.932	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000851599182	634450792	/nfs/dbraw/zinc/45/07/92/634450792.db2.gz	LLTXUVDUCQRORR-UONOGXRCSA-N	-1	0	299.411	2.685	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000851599183	634451115	/nfs/dbraw/zinc/45/11/15/634451115.db2.gz	LLTXUVDUCQRORR-ZIAGYGMSSA-N	-1	0	299.411	2.685	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000851626101	634460658	/nfs/dbraw/zinc/46/06/58/634460658.db2.gz	GHTHEHHFSJGNBK-CLFYSBASSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C)C(C)(C)C	ZINC000814937950	625928536	/nfs/dbraw/zinc/92/85/36/625928536.db2.gz	SLTLSSWKQYMNGY-GARJFASQSA-N	-1	0	254.374	2.887	20	30		CFEDRM
C[C@H](NN=Cc1cc(F)c([O-])c(F)c1)C(F)(F)F	ZINC000835002095	625950722	/nfs/dbraw/zinc/95/07/22/625950722.db2.gz	QVURIYZZLAQJIL-YFKPBYRVSA-N	-1	0	268.185	2.545	20	30		CFEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835008122	625955026	/nfs/dbraw/zinc/95/50/26/625955026.db2.gz	FVVCZGQZGNWVDC-LLVKDONJSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@H](CCC#N)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009336	625956233	/nfs/dbraw/zinc/95/62/33/625956233.db2.gz	QOPLSTDXKHPZOT-SECBINFHSA-N	-1	0	263.272	2.861	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCC3)cn1	ZINC000835010325	625956940	/nfs/dbraw/zinc/95/69/40/625956940.db2.gz	XLVRMBFFXDDECY-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
COCCC(N=Nc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC000835012886	625958488	/nfs/dbraw/zinc/95/84/88/625958488.db2.gz	YVIXZQBZXZQDDO-UHFFFAOYSA-N	-1	0	282.315	2.984	20	30		CFEDRM
N#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCCC1	ZINC000921538153	625980750	/nfs/dbraw/zinc/98/07/50/625980750.db2.gz	AEOYRCSAGSLRCX-LBPRGKRZSA-N	-1	0	278.739	2.858	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21	ZINC000073837939	626396124	/nfs/dbraw/zinc/39/61/24/626396124.db2.gz	JDSIIMSJKFVWIB-LBPRGKRZSA-N	-1	0	297.376	2.638	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(F)cc(F)c1	ZINC000073838045	626396161	/nfs/dbraw/zinc/39/61/61/626396161.db2.gz	SRCCUAXKLDCPSL-UHFFFAOYSA-N	-1	0	291.319	2.788	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073837935	626396182	/nfs/dbraw/zinc/39/61/82/626396182.db2.gz	QMFGHDZISRVGJD-UHFFFAOYSA-N	-1	0	267.416	2.605	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CC2(CC2)C1	ZINC000923056348	626447679	/nfs/dbraw/zinc/44/76/79/626447679.db2.gz	BCAMFTCTMDXASE-ZZXKWVIFSA-N	-1	0	296.326	2.807	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000923063440	626448306	/nfs/dbraw/zinc/44/83/06/626448306.db2.gz	FHKVDFNJUDSMKX-UHFFFAOYSA-N	-1	0	278.283	2.792	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000923065149	626448670	/nfs/dbraw/zinc/44/86/70/626448670.db2.gz	XAHFQWUWBDRANZ-UHFFFAOYSA-N	-1	0	274.320	2.962	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1	ZINC000923076320	626449065	/nfs/dbraw/zinc/44/90/65/626449065.db2.gz	QOZHHUPYDFACGU-UHFFFAOYSA-N	-1	0	286.331	2.582	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1	ZINC000923080781	626449422	/nfs/dbraw/zinc/44/94/22/626449422.db2.gz	NCJPIUGTCQUUKE-BMIGLBTASA-N	-1	0	274.320	2.753	20	30		CFEDRM
C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CC(C)C2)c1	ZINC000923083740	626449551	/nfs/dbraw/zinc/44/95/51/626449551.db2.gz	RSGJQYVKPMWYMQ-CSJGVYOVSA-N	-1	0	286.331	2.753	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(CCCC)CC1)C(=O)[O-]	ZINC000923103443	626450605	/nfs/dbraw/zinc/45/06/05/626450605.db2.gz	HBHFKPANITYAHF-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000923106083	626451598	/nfs/dbraw/zinc/45/15/98/626451598.db2.gz	KDDZIZIENKOSJZ-UHFFFAOYSA-N	-1	0	274.320	2.962	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923104602	626451617	/nfs/dbraw/zinc/45/16/17/626451617.db2.gz	QUIVAAOWEJOTGY-CRWXNKLISA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923105587	626451665	/nfs/dbraw/zinc/45/16/65/626451665.db2.gz	SXYLITJPSIKFMQ-YFKTTZPYSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923128332	626452128	/nfs/dbraw/zinc/45/21/28/626452128.db2.gz	MLWGQAAGYRUZLU-MRXNPFEDSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccccc1	ZINC000923146623	626452843	/nfs/dbraw/zinc/45/28/43/626452843.db2.gz	GTPMBWDRZLQPDB-SIIHOXLZSA-N	-1	0	299.370	2.812	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@](C)(CC(C)C)C(=O)[O-])C1	ZINC000923186697	626455475	/nfs/dbraw/zinc/45/54/75/626455475.db2.gz	IYPYSRGPURHAHR-HNNXBMFYSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])C1	ZINC000923186699	626455496	/nfs/dbraw/zinc/45/54/96/626455496.db2.gz	IYPYSRGPURHAHR-OAHLLOKOSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923189692	626455749	/nfs/dbraw/zinc/45/57/49/626455749.db2.gz	XQJNUHASDHUNCX-GJZGRUSLSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC(N=Nc1nccnc1Cl)c1ccccc1C(=O)[O-]	ZINC000757465837	626552845	/nfs/dbraw/zinc/55/28/45/626552845.db2.gz	YZXKZBVBLUHKOC-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000757466982	626552932	/nfs/dbraw/zinc/55/29/32/626552932.db2.gz	AJCMMPFMJGOMDT-WAYWQWQTSA-N	-1	0	292.722	2.689	20	30		CFEDRM
O=C(/C=C\c1cccnc1)c1cc(F)cc(F)c1[O-]	ZINC000757475044	626553180	/nfs/dbraw/zinc/55/31/80/626553180.db2.gz	VUSCCYAFQJKXIH-ARJAWSKDSA-N	-1	0	261.227	2.962	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759541054	626669171	/nfs/dbraw/zinc/66/91/71/626669171.db2.gz	OTLJSBZVEZTNET-UHFFFAOYSA-N	-1	0	269.247	2.767	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1	ZINC000761037724	626792921	/nfs/dbraw/zinc/79/29/21/626792921.db2.gz	NVNYKWYWEPVFPG-LBPRGKRZSA-N	-1	0	284.340	2.526	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1[nH]c2ccccc2c1Cl	ZINC000762052986	626884812	/nfs/dbraw/zinc/88/48/12/626884812.db2.gz	QKIUGRZZRLLGQC-UHFFFAOYSA-N	-1	0	292.722	2.534	20	30		CFEDRM
CC(C)C(C)(C)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000762981126	626954136	/nfs/dbraw/zinc/95/41/36/626954136.db2.gz	UZNCIDFTYFOOFN-UHFFFAOYSA-N	-1	0	290.392	2.974	20	30		CFEDRM
COc1cc(C)ccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763368112	626983206	/nfs/dbraw/zinc/98/32/06/626983206.db2.gz	KMPLAESVCVETDX-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cnc(C3CC3)s2)nc1	ZINC000763369698	626983420	/nfs/dbraw/zinc/98/34/20/626983420.db2.gz	WGVVYPQCIYVXHA-UHFFFAOYSA-N	-1	0	288.332	2.560	20	30		CFEDRM
COc1ccccc1CC=CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763371452	626983524	/nfs/dbraw/zinc/98/35/24/626983524.db2.gz	AOWXJJZYWWRSFU-XENLPDTRSA-N	-1	0	297.314	2.900	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc(Cl)c2O)nc1	ZINC000763369251	626983568	/nfs/dbraw/zinc/98/35/68/626983568.db2.gz	UNMNYFBQKLXQSR-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
CC(N=Nc1ccc(Cl)nn1)c1cccc(C(=O)[O-])c1	ZINC000764658826	627081109	/nfs/dbraw/zinc/08/11/09/627081109.db2.gz	SIGQGLTVHQANDS-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
Cc1cccc(CNN=Cc2cccc(OCC(=O)[O-])c2)c1	ZINC000764708141	627086180	/nfs/dbraw/zinc/08/61/80/627086180.db2.gz	CNKZWKBOZCCALH-UHFFFAOYSA-N	-1	0	298.342	2.582	20	30		CFEDRM
CCC(=NNCC(F)(F)F)c1cc(C(=O)[O-])ccc1F	ZINC000769815127	627477851	/nfs/dbraw/zinc/47/78/51/627477851.db2.gz	QWNPGYPLKTXTEU-UHFFFAOYSA-N	-1	0	292.232	2.790	20	30		CFEDRM
C[C@@H]1CCC[C@H](CC(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000770863911	627552115	/nfs/dbraw/zinc/55/21/15/627552115.db2.gz	XVGJBEMXFODJBC-AGIUHOORSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C[C@H](C#N)CNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000771109199	627578467	/nfs/dbraw/zinc/57/84/67/627578467.db2.gz	YOGJRTVTILQIFD-SSDOTTSWSA-N	-1	0	272.135	2.782	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccccc2C(=O)[O-])c(F)c1	ZINC000772838936	627749982	/nfs/dbraw/zinc/74/99/82/627749982.db2.gz	PAESTDAAUOQUAP-UHFFFAOYSA-N	-1	0	283.262	2.842	20	30		CFEDRM
CC(=NOCCC(F)(F)F)c1ccc(C(=O)[O-])o1	ZINC000773071774	627778529	/nfs/dbraw/zinc/77/85/29/627778529.db2.gz	BNBCTSQTEMHCKV-UHFFFAOYSA-N	-1	0	265.187	2.671	20	30		CFEDRM
CCC(=NOC1CCOCC1)c1cc(C(=O)[O-])ccc1F	ZINC000774431005	627924354	/nfs/dbraw/zinc/92/43/54/627924354.db2.gz	JCSNBNKWAHGGEF-UHFFFAOYSA-N	-1	0	295.310	2.834	20	30		CFEDRM
CCC(CC)CNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000774463651	627929932	/nfs/dbraw/zinc/92/99/32/627929932.db2.gz	RKGIJSAWDJSVNL-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
CO[C@@H]1CCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000774543022	627936555	/nfs/dbraw/zinc/93/65/55/627936555.db2.gz	UEZHPRNPTFBOFA-RWZPWVAFSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CC(C)[C@@H](O)C1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000775631773	628047669	/nfs/dbraw/zinc/04/76/69/628047669.db2.gz	VPWJATFYXDRKAT-MEFZMRIGSA-N	-1	0	292.335	2.516	20	30		CFEDRM
Cc1ccc(NN=Cc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000777418448	628223608	/nfs/dbraw/zinc/22/36/08/628223608.db2.gz	LFXUHCRFTGJBKL-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1cc(Cl)ccn1	ZINC000777905231	628263941	/nfs/dbraw/zinc/26/39/41/628263941.db2.gz	BYNSHAIFECKXNN-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000779357662	628376769	/nfs/dbraw/zinc/37/67/69/628376769.db2.gz	BNCBLFLOOWBXGU-GQCTYLIASA-N	-1	0	272.256	2.888	20	30		CFEDRM
Cc1nnc(N=NC(C)C[C@@H](C)CC(C)C)[n-]c1=O	ZINC000779759203	628400356	/nfs/dbraw/zinc/40/03/56/628400356.db2.gz	FARNDRSBAGZERU-VIFPVBQESA-N	-1	0	265.361	2.746	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2/Cc3cc(O)ccc3C2=O)c1	ZINC000780187995	628437854	/nfs/dbraw/zinc/43/78/54/628437854.db2.gz	JBXCMHFFBSYPIO-QPEQYQDCSA-N	-1	0	280.279	2.913	20	30		CFEDRM
O=C([O-])c1cccc(NN=C2CCc3cc(O)ccc32)c1	ZINC000780186987	628438141	/nfs/dbraw/zinc/43/81/41/628438141.db2.gz	RVRGOXXYBPUWJD-UHFFFAOYSA-N	-1	0	282.299	2.853	20	30		CFEDRM
CC1(C)C[C@@H](NN=Cc2cc(F)c([O-])c(F)c2)CCO1	ZINC000780246863	628444560	/nfs/dbraw/zinc/44/45/60/628444560.db2.gz	LRGGOJJTMYIYKD-JTQLQIEISA-N	-1	0	284.306	2.552	20	30		CFEDRM
CCSCCCN=Nc1ccccc1C(=O)[O-]	ZINC000781121624	628523213	/nfs/dbraw/zinc/52/32/13/628523213.db2.gz	KZTAHJBKWXSQDD-UHFFFAOYSA-N	-1	0	252.339	2.926	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)(C)C	ZINC000781557177	628559742	/nfs/dbraw/zinc/55/97/42/628559742.db2.gz	VWPXUPLQDHMIQE-JTQLQIEISA-N	-1	0	264.281	2.518	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2ccncc2)c1	ZINC000782199599	628613806	/nfs/dbraw/zinc/61/38/06/628613806.db2.gz	ILLKQMUJFQSPIY-OWOJBTEDSA-N	-1	0	259.286	2.737	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cccnc2)c1	ZINC000782200620	628613921	/nfs/dbraw/zinc/61/39/21/628613921.db2.gz	WDRKGRORSGKTRZ-ARJAWSKDSA-N	-1	0	259.286	2.737	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccccc1C(=O)[O-]	ZINC000782290647	628624533	/nfs/dbraw/zinc/62/45/33/628624533.db2.gz	ZRYVWHOSYJFEGN-CYBMUJFWSA-N	-1	0	260.337	2.887	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1	ZINC000783345841	628700605	/nfs/dbraw/zinc/70/06/05/628700605.db2.gz	AOAADFKOYMLYEG-CQSZACIVSA-N	-1	0	299.374	2.588	20	30		CFEDRM
O=c1[n-]c(N=NCCC[C@H]2CCOC2)nc2ccccc21	ZINC000786035604	628931787	/nfs/dbraw/zinc/93/17/87/628931787.db2.gz	FFTXJUCCRDINDR-NSHDSACASA-N	-1	0	286.335	2.550	20	30		CFEDRM
C[C@H](Oc1cccc(C=NNC2CCCCC2)c1)C(=O)[O-]	ZINC000786042069	628932837	/nfs/dbraw/zinc/93/28/37/628932837.db2.gz	JDIWBISDLPTREN-LBPRGKRZSA-N	-1	0	290.363	2.795	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccsc2)c1	ZINC000786541307	628967191	/nfs/dbraw/zinc/96/71/91/628967191.db2.gz	MBFGNRIRYYRHNR-AWEZNQCLSA-N	-1	0	298.367	2.695	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2cncs2)c1	ZINC000787168947	628997200	/nfs/dbraw/zinc/99/72/00/628997200.db2.gz	JYCXAMKKRUOZJC-PLNGDYQASA-N	-1	0	289.312	2.503	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)F)c1ccc(OC(F)(F)F)cc1	ZINC000787341188	629007880	/nfs/dbraw/zinc/00/78/80/629007880.db2.gz	MCHHPLSDCJMZLV-MRVPVSSYSA-N	-1	0	294.179	2.531	20	30		CFEDRM
Cc1nc(C#N)c(N=NC(C)c2cc(C(=O)[O-])ccc2C)o1	ZINC000788426025	629065404	/nfs/dbraw/zinc/06/54/04/629065404.db2.gz	NECMBVILZGJTNQ-UHFFFAOYSA-N	-1	0	298.302	2.697	20	30		CFEDRM
N#CCOc1cccc(/C=C/c2cc(C(=O)[O-])ccn2)c1	ZINC000789149419	629129825	/nfs/dbraw/zinc/12/98/25/629129825.db2.gz	YLVQAPYCXGHRHR-SNAWJCMRSA-N	-1	0	280.283	2.853	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)n(C)n1	ZINC000789159946	629130482	/nfs/dbraw/zinc/13/04/82/629130482.db2.gz	RTHQDEYVJCHAKY-AATRIKPKSA-N	-1	0	298.342	2.940	20	30		CFEDRM
Cc1cc([C@@H](C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1	ZINC000835061269	629363153	/nfs/dbraw/zinc/36/31/53/629363153.db2.gz	YHOFWLMETRWWAR-ISZGNANSSA-N	-1	0	299.374	2.643	20	30		CFEDRM
CC[C@H](NN=Cc1c(C)oc2ccccc12)C(=O)[O-]	ZINC000793054564	629480682	/nfs/dbraw/zinc/48/06/82/629480682.db2.gz	GTSBSCJPGSMBDT-LBPRGKRZSA-N	-1	0	260.293	2.528	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-]	ZINC000793056016	629480751	/nfs/dbraw/zinc/48/07/51/629480751.db2.gz	RJKWWIFIROWSBJ-VXNVDRBHSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CC[C@H](NN=Cc1nc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000793056139	629480773	/nfs/dbraw/zinc/48/07/73/629480773.db2.gz	DCZAAAMLOOFHKM-NSHDSACASA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@H](NN=C1CCCc2c(C)ccc(C)c21)C(=O)[O-]	ZINC000793055226	629480857	/nfs/dbraw/zinc/48/08/57/629480857.db2.gz	JZOOOIGICLNOAV-ZDUSSCGKSA-N	-1	0	274.364	2.797	20	30		CFEDRM
CC[C@@H](NN=C(C)c1c(F)cccc1Cl)C(=O)[O-]	ZINC000793055945	629480865	/nfs/dbraw/zinc/48/08/65/629480865.db2.gz	QVOLXMMGFUUWAG-SNVBAGLBSA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@@H](NN=C1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-]	ZINC000793059189	629481605	/nfs/dbraw/zinc/48/16/05/629481605.db2.gz	ZKUKOPYERHGCCU-LLVKDONJSA-N	-1	0	294.326	2.544	20	30		CFEDRM
CC[C@@H](NN=C1CC(C)(C)c2cc(OC)ccc21)C(=O)[O-]	ZINC000793070533	629482257	/nfs/dbraw/zinc/48/22/57/629482257.db2.gz	CCUSXSXYSIVADA-CYBMUJFWSA-N	-1	0	290.363	2.533	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(OCCC(C)C)cc1)C(=O)[O-]	ZINC000793071743	629482733	/nfs/dbraw/zinc/48/27/33/629482733.db2.gz	LPSHRNONAXOKEA-HNNXBMFYSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC[C@H](NN=C1CCCc2cc(SC)ccc21)C(=O)[O-]	ZINC000793071317	629482769	/nfs/dbraw/zinc/48/27/69/629482769.db2.gz	HWCOIPJKMIHLKH-ZDUSSCGKSA-N	-1	0	292.404	2.902	20	30		CFEDRM
CC[C@@H](NN=Cc1c(C)cc(Cl)cc1C)C(=O)[O-]	ZINC000793071038	629482823	/nfs/dbraw/zinc/48/28/23/629482823.db2.gz	CDUVPMKKABQBKP-GFCCVEGCSA-N	-1	0	268.744	2.744	20	30		CFEDRM
CC[C@H](NN=Cc1c(Cl)ccc2cccnc21)C(=O)[O-]	ZINC000793078944	629484339	/nfs/dbraw/zinc/48/43/39/629484339.db2.gz	PRZZMUUTUPRMAF-LBPRGKRZSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H](c2cccnc2)C1)C(=O)[O-]	ZINC000793077881	629484610	/nfs/dbraw/zinc/48/46/10/629484610.db2.gz	JFSKDLCAQKUALZ-BXUZGUMPSA-N	-1	0	275.352	2.548	20	30		CFEDRM
CCCCOc1ccc(CNN=C(CC)C(=O)[O-])cc1	ZINC000793080662	629485082	/nfs/dbraw/zinc/48/50/82/629485082.db2.gz	CIHCHOCXFYOHHB-AWEZNQCLSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC[C@@H](NN=C1C[C@@H]2CCCc3cccc1c32)C(=O)[O-]	ZINC000793080437	629485164	/nfs/dbraw/zinc/48/51/64/629485164.db2.gz	YYUCDIVBPFBMSF-WCQYABFASA-N	-1	0	272.348	2.667	20	30		CFEDRM
CC[C@H](NN=C1C[C@H]2CCCc3cccc1c32)C(=O)[O-]	ZINC000793080438	629485244	/nfs/dbraw/zinc/48/52/44/629485244.db2.gz	YYUCDIVBPFBMSF-YPMHNXCESA-N	-1	0	272.348	2.667	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(OC)cc1OCC(=O)[O-]	ZINC000793158131	629494325	/nfs/dbraw/zinc/49/43/25/629494325.db2.gz	DEHWHEWQOMMJGA-LLVKDONJSA-N	-1	0	295.335	2.555	20	30		CFEDRM
CN(C)Cc1cnc(C=CC(=O)c2sccc2[O-])s1	ZINC000794710398	629677815	/nfs/dbraw/zinc/67/78/15/629677815.db2.gz	HIPLVJSSNGWFKI-ARJAWSKDSA-N	-1	0	294.401	2.868	20	30		CFEDRM
C[C@@H]1CSCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000794854608	629695112	/nfs/dbraw/zinc/69/51/12/629695112.db2.gz	JGYSWGJRRNSODD-MRVPVSSYSA-N	-1	0	250.323	2.536	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccnc(F)c1	ZINC000794856922	629696315	/nfs/dbraw/zinc/69/63/15/629696315.db2.gz	OSVVZTVKEUVDLO-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
Cc1nn(C)cc1C(=O)/C=C\c1cc(C(=O)[O-])c(C)cc1C	ZINC000794938847	629707418	/nfs/dbraw/zinc/70/74/18/629707418.db2.gz	RWEDFGVSXVKITJ-WAYWQWQTSA-N	-1	0	298.342	2.940	20	30		CFEDRM
Cn1cc2c(n1)CC/C(=C\c1cc(F)c([O-])c(F)c1)C2=O	ZINC000794962679	629710599	/nfs/dbraw/zinc/71/05/99/629710599.db2.gz	USNHDXCHAPJPCV-RUDMXATFSA-N	-1	0	290.269	2.616	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCC(F)(F)C2)c1	ZINC000795152182	629739504	/nfs/dbraw/zinc/73/95/04/629739504.db2.gz	XWESSDYYKCQQQD-VIFPVBQESA-N	-1	0	266.247	2.638	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2	ZINC000835562256	629842071	/nfs/dbraw/zinc/84/20/71/629842071.db2.gz	BHOOVEAZPNUBMT-BLYZHGLHSA-N	-1	0	299.436	2.613	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000796126827	629880078	/nfs/dbraw/zinc/88/00/78/629880078.db2.gz	MPXIKBDEIMNXAW-UHFFFAOYSA-N	-1	0	296.282	2.558	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000796698016	629951862	/nfs/dbraw/zinc/95/18/62/629951862.db2.gz	RLAWPYJZLVPKRC-ZRDIBKRKSA-N	-1	0	293.388	2.706	20	30		CFEDRM
CCc1ccc2occ(C([O-])=C(C#N)C(=O)NC(C)C)c2c1	ZINC000796791213	629968508	/nfs/dbraw/zinc/96/85/08/629968508.db2.gz	DJFNYCQSNSIQNY-CYBMUJFWSA-N	-1	0	298.342	2.842	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1CCCCCCC1	ZINC000797711786	630097952	/nfs/dbraw/zinc/09/79/52/630097952.db2.gz	OCZTXAKGSBOOKQ-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C#C[C@H](NC(=O)c1cccc(Br)c1[O-])C(C)C	ZINC000799047275	630270457	/nfs/dbraw/zinc/27/04/57/630270457.db2.gz	ZVTOWDITSIUMPF-NSHDSACASA-N	-1	0	296.164	2.542	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C#N	ZINC000799713507	630337998	/nfs/dbraw/zinc/33/79/98/630337998.db2.gz	WPQMVFDOVXCUPD-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
COCC[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000799873119	630350237	/nfs/dbraw/zinc/35/02/37/630350237.db2.gz	LSKMYGZIXGQDMQ-LLVKDONJSA-N	-1	0	276.336	2.989	20	30		CFEDRM
COCC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000800720408	630402636	/nfs/dbraw/zinc/40/26/36/630402636.db2.gz	CTQYMRZXNOFAHL-OVCLIPMQSA-N	-1	0	278.308	2.536	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(F)cc2F)cc1C(=O)[O-]	ZINC000800804366	630406454	/nfs/dbraw/zinc/40/64/54/630406454.db2.gz	YMCMIUNTQGCCHW-UHFFFAOYSA-N	-1	0	279.246	2.746	20	30		CFEDRM
C=C(Cl)COC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000801378574	630443312	/nfs/dbraw/zinc/44/33/12/630443312.db2.gz	RPDNRNYUQIMOPC-UHFFFAOYSA-N	-1	0	296.685	2.626	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc(O)c2)c1	ZINC000806558599	630810857	/nfs/dbraw/zinc/81/08/57/630810857.db2.gz	HDOLDHJFJZQCMI-BQYQJAHWSA-N	-1	0	268.268	2.987	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C/c2cocn2)C(=O)c2ccccc21	ZINC000806560245	630812076	/nfs/dbraw/zinc/81/20/76/630812076.db2.gz	KFTKIXCSWNLXPD-QGOGUYACSA-N	-1	0	269.256	2.513	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)nn1	ZINC000806570847	630813342	/nfs/dbraw/zinc/81/33/42/630813342.db2.gz	MRGVOIFGJGZYSZ-ONEGZZNKSA-N	-1	0	291.332	2.515	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc1	ZINC000806564886	630813550	/nfs/dbraw/zinc/81/35/50/630813550.db2.gz	HFTNGKGGMDTMHK-TWGQIWQCSA-N	-1	0	296.326	2.814	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)nn1	ZINC000806570846	630813682	/nfs/dbraw/zinc/81/36/82/630813682.db2.gz	MRGVOIFGJGZYSZ-ARJAWSKDSA-N	-1	0	291.332	2.515	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(F)cc2[O-])nn1	ZINC000806573265	630815262	/nfs/dbraw/zinc/81/52/62/630815262.db2.gz	HCFMRCKNLYSULJ-GQCTYLIASA-N	-1	0	275.283	2.600	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(F)ccc2[O-])nn1	ZINC000806573901	630815329	/nfs/dbraw/zinc/81/53/29/630815329.db2.gz	WHCMBIFWDBQACX-GQCTYLIASA-N	-1	0	275.283	2.600	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NNCC2CCCC2)cc1)C(=O)[O-]	ZINC000808006596	630940262	/nfs/dbraw/zinc/94/02/62/630940262.db2.gz	WQSULJWLOMNPCE-GFCCVEGCSA-N	-1	0	290.363	2.652	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)SCc1ccccc1	ZINC000837043877	630943327	/nfs/dbraw/zinc/94/33/27/630943327.db2.gz	HJFFFMTZUOUNAV-LLVKDONJSA-N	-1	0	251.351	2.542	20	30		CFEDRM
C=CCO[N-]C(=O)CSc1cc(C)ccc1C	ZINC000837045452	630944210	/nfs/dbraw/zinc/94/42/10/630944210.db2.gz	WOCQXGGGUHFYSL-UHFFFAOYSA-N	-1	0	251.351	2.629	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](OC1CCCC1)c1ccccc1	ZINC000837046999	630945011	/nfs/dbraw/zinc/94/50/11/630945011.db2.gz	UKQNLRVHAGFMHQ-OAHLLOKOSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C	ZINC000837049871	630946319	/nfs/dbraw/zinc/94/63/19/630946319.db2.gz	SFYZDJNOUFYVCC-CYBMUJFWSA-N	-1	0	283.755	2.977	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837620765	631088507	/nfs/dbraw/zinc/08/85/07/631088507.db2.gz	FFFYTXGCVDEEDG-UHFFFAOYSA-N	-1	0	291.303	2.927	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000042251124	649997152	/nfs/dbraw/zinc/99/71/52/649997152.db2.gz	KSTBICPIJKWKBB-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cccs1	ZINC000042250720	649997208	/nfs/dbraw/zinc/99/72/08/649997208.db2.gz	WHGZCCPZUNBQCC-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
CO[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000840707041	631175424	/nfs/dbraw/zinc/17/54/24/631175424.db2.gz	RHFVATCOSRUHEZ-CJTQKWKHSA-N	-1	0	298.726	2.798	20	30		CFEDRM
CCO[C@@H]1CCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840710126	631175601	/nfs/dbraw/zinc/17/56/01/631175601.db2.gz	OXIUQFPWOJUONF-FOUVODNDSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(C3CC3)cc2)C(=O)O1	ZINC000840715628	631176071	/nfs/dbraw/zinc/17/60/71/631176071.db2.gz	QNIXVSRPTJMURP-ASRSSLEJSA-N	-1	0	296.322	2.792	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(F)cc2)s1	ZINC000042279108	649997438	/nfs/dbraw/zinc/99/74/38/649997438.db2.gz	VQYRHRFNJAMSNB-UHFFFAOYSA-N	-1	0	299.348	2.818	20	30		CFEDRM
C#CCNC(=S)[N-]c1ccc(C)cc1SC	ZINC000840857703	631243808	/nfs/dbraw/zinc/24/38/08/631243808.db2.gz	RYEQHNOMDVNUFI-UHFFFAOYSA-N	-1	0	250.392	2.637	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810532315	631383247	/nfs/dbraw/zinc/38/32/47/631383247.db2.gz	RVTVOHPLLQGQIF-MRXNPFEDSA-N	-1	0	294.354	2.879	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H](CC)C(C)C)CC1	ZINC000810980781	631490219	/nfs/dbraw/zinc/49/02/19/631490219.db2.gz	FAXSACQVMGYJGW-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)CC1	ZINC000810981693	631490437	/nfs/dbraw/zinc/49/04/37/631490437.db2.gz	GQPJJMORHVOFQW-UHFFFAOYSA-N	-1	0	299.779	2.508	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC(C)(C)CCC)CC1	ZINC000810988955	631491258	/nfs/dbraw/zinc/49/12/58/631491258.db2.gz	UFEXLPZEHBRBHY-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CCC)C(C)C)CC1	ZINC000810984296	631491347	/nfs/dbraw/zinc/49/13/47/631491347.db2.gz	YTTSOBRUNUKXKQ-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)CC1	ZINC000810982431	631491457	/nfs/dbraw/zinc/49/14/57/631491457.db2.gz	QPTVAWZBZGRWRH-UHFFFAOYSA-N	-1	0	299.779	2.508	20	30		CFEDRM
CC[C@@H](Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)OC	ZINC000842034865	631508263	/nfs/dbraw/zinc/50/82/63/631508263.db2.gz	YUAIAPJVNYUKSQ-NSHDSACASA-N	-1	0	279.384	2.767	20	30		CFEDRM
CC(C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000811381898	631557030	/nfs/dbraw/zinc/55/70/30/631557030.db2.gz	SJXBECVVLQQGBI-UHNVWZDZSA-N	-1	0	269.160	2.590	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cc(C(=O)[O-])c(C)nc1C	ZINC000811668415	631602994	/nfs/dbraw/zinc/60/29/94/631602994.db2.gz	NSJUJLMDHUFOPM-TYSMKGOYSA-N	-1	0	282.727	2.890	20	30		CFEDRM
C[C@H](Oc1ccc(C=NOC/C=C/Cl)cc1)C(=O)[O-]	ZINC000811668303	631603061	/nfs/dbraw/zinc/60/30/61/631603061.db2.gz	DMJHBZCWOKRUCV-BQFXKJLFSA-N	-1	0	283.711	2.642	20	30		CFEDRM
CC[C@H](NN=C1CCCc2ccc(SC)cc21)C(=O)[O-]	ZINC000842533655	631655456	/nfs/dbraw/zinc/65/54/56/631655456.db2.gz	UEBKBQRLAPTWDU-ZDUSSCGKSA-N	-1	0	292.404	2.902	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000812706144	631761612	/nfs/dbraw/zinc/76/16/12/631761612.db2.gz	JRUYGNSBTHRHFR-UHFFFAOYSA-N	-1	0	259.305	2.727	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CC1	ZINC000812782529	631773346	/nfs/dbraw/zinc/77/33/46/631773346.db2.gz	WJCWXCXEMWIFIP-UHFFFAOYSA-N	-1	0	284.142	2.706	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	ZINC000812786155	631774749	/nfs/dbraw/zinc/77/47/49/631774749.db2.gz	FKPIURLMGLIMLC-AWEZNQCLSA-N	-1	0	295.338	2.802	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc(C2CC2)cs1	ZINC000842946560	631790655	/nfs/dbraw/zinc/79/06/55/631790655.db2.gz	WCODPIOAJRKGBJ-VSQXVHSFSA-N	-1	0	296.355	2.700	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ccccc2C(F)(F)F)C1	ZINC000814689006	632109173	/nfs/dbraw/zinc/10/91/73/632109173.db2.gz	RZZAHWLFQLPNIO-UHFFFAOYSA-N	-1	0	272.226	2.968	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-]	ZINC000814694608	632109726	/nfs/dbraw/zinc/10/97/26/632109726.db2.gz	RDUTVVXUVGEFQI-RNCFNFMXSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-]	ZINC000814694610	632110151	/nfs/dbraw/zinc/11/01/51/632110151.db2.gz	RDUTVVXUVGEFQI-ZANVPECISA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nncc2ccccc21	ZINC000814706410	632111779	/nfs/dbraw/zinc/11/17/79/632111779.db2.gz	ZJMGYRPYNHSGQZ-WDEREUQCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1C(=NNCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814751895	632117764	/nfs/dbraw/zinc/11/77/64/632117764.db2.gz	VUSQUDDAXBJHRC-YPMHNXCESA-N	-1	0	260.337	2.653	20	30		CFEDRM
CCCNC(=S)NN=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814761533	632119247	/nfs/dbraw/zinc/11/92/47/632119247.db2.gz	NXVNXDQQHOPVOP-SNVBAGLBSA-N	-1	0	287.429	2.518	20	30		CFEDRM
CC(=NNc1cnnc([O-])c1Cl)[C@H]1CC1(C)C	ZINC000814782240	632122824	/nfs/dbraw/zinc/12/28/24/632122824.db2.gz	HRMZFQFQDAHUII-SSDOTTSWSA-N	-1	0	254.721	2.670	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCc2cc(F)ccc2F)c1	ZINC000814808496	632130145	/nfs/dbraw/zinc/13/01/45/632130145.db2.gz	ATWFTTAJVCTKJL-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CC[C@H]1C(=O)[O-]	ZINC000814831001	632133590	/nfs/dbraw/zinc/13/35/90/632133590.db2.gz	XQDNYRNBMFFGSH-ZYHUDNBSSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])[C@H](C)C2)nc1	ZINC000814831823	632134324	/nfs/dbraw/zinc/13/43/24/632134324.db2.gz	SFXXILUOHGZCAJ-PWSUYJOCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C=CC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000844211601	632135539	/nfs/dbraw/zinc/13/55/39/632135539.db2.gz	SWSBRQUJVBQUDM-UHFFFAOYSA-N	-1	0	290.319	2.624	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)nn1	ZINC000814840991	632136264	/nfs/dbraw/zinc/13/62/64/632136264.db2.gz	WZZNUIBIHPILGW-MNOVXSKESA-N	-1	0	290.367	2.710	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc(F)cn2)CC[C@@H]1CC(=O)[O-]	ZINC000814842421	632137260	/nfs/dbraw/zinc/13/72/60/632137260.db2.gz	HFBOKSADLWKERV-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1nc(Cl)cc(N=NCc2cccc(C(=O)[O-])c2)n1	ZINC000814856057	632139470	/nfs/dbraw/zinc/13/94/70/632139470.db2.gz	ZLLWHQCIUKCYOX-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](C(=O)[O-])C[C@H]2C)c1	ZINC000814872911	632145167	/nfs/dbraw/zinc/14/51/67/632145167.db2.gz	DIOCOGFTRDRKBK-TZMCWYRMSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1CC(=NNCc2cc(F)ccc2F)CC[C@H]1C(=O)[O-]	ZINC000814872784	632145260	/nfs/dbraw/zinc/14/52/60/632145260.db2.gz	YLTBTJKRHXORAI-NOZJJQNGSA-N	-1	0	296.317	2.931	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCc2cccnc2)c1Cl	ZINC000814883910	632148335	/nfs/dbraw/zinc/14/83/35/632148335.db2.gz	HDNIVUZURGTNOP-UHFFFAOYSA-N	-1	0	290.706	2.984	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@](C)(OC)C1CC1	ZINC000814887647	632149989	/nfs/dbraw/zinc/14/99/89/632149989.db2.gz	QATDWGMCYPMJNG-HNNXBMFYSA-N	-1	0	292.335	2.606	20	30		CFEDRM
COc1ccc2nc(N=NC3CC(C(=O)[O-])C3)c(C)cc2c1	ZINC000814898770	632154348	/nfs/dbraw/zinc/15/43/48/632154348.db2.gz	CHVCSUVCWBJVGH-UHFFFAOYSA-N	-1	0	299.330	2.814	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(N=Nc1ncccc1F)CC2	ZINC000814927660	632168366	/nfs/dbraw/zinc/16/83/66/632168366.db2.gz	ZFWKOIZRGKHCRX-UHFFFAOYSA-N	-1	0	299.305	2.876	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2cccc(F)n2)C1	ZINC000814928045	632169263	/nfs/dbraw/zinc/16/92/63/632169263.db2.gz	TURDYZRUEBAXIL-UHFFFAOYSA-N	-1	0	299.305	2.805	20	30		CFEDRM
CC(=NN[C@@H]1CCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814933642	632171786	/nfs/dbraw/zinc/17/17/86/632171786.db2.gz	VIMVOSFTWAITAR-CMPLNLGQSA-N	-1	0	272.414	2.739	20	30		CFEDRM
CC(=NN[C@@H]1CCSC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814933613	632171836	/nfs/dbraw/zinc/17/18/36/632171836.db2.gz	UJGMSBUMAAWSNO-UTUOFQBUSA-N	-1	0	284.425	2.594	20	30		CFEDRM
C[C@@H]1C(=NNC[C@@H]2CCSC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814935882	632173523	/nfs/dbraw/zinc/17/35/23/632173523.db2.gz	SHXGPQUBVYRLAU-WOPDTQHZSA-N	-1	0	298.452	2.842	20	30		CFEDRM
C[C@H](N=NC1CC[C@@H](C(=O)[O-])C[C@H]1C)C(C)(C)C	ZINC000814938209	632174441	/nfs/dbraw/zinc/17/44/41/632174441.db2.gz	XTZIQJVSOFYOMJ-OUAUKWLOSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC(N=Nc1ncncc1F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814939704	632175301	/nfs/dbraw/zinc/17/53/01/632175301.db2.gz	AZMDJYKFHDGMCR-ZJUUUORDSA-N	-1	0	294.330	2.541	20	30		CFEDRM
CCC(=NNCC(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000814956974	632178824	/nfs/dbraw/zinc/17/88/24/632178824.db2.gz	QTFXLWZSBCPRAH-UHFFFAOYSA-N	-1	0	264.369	2.643	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1cc2c(ccc3ccccc23)o1	ZINC000814959021	632179528	/nfs/dbraw/zinc/17/95/28/632179528.db2.gz	GXQYJJITTBTDCY-UHFFFAOYSA-N	-1	0	282.299	2.984	20	30		CFEDRM
C/C(C=NNCC(=O)[O-])=C/c1cccc(C(F)(F)F)c1	ZINC000814958726	632179892	/nfs/dbraw/zinc/17/98/92/632179892.db2.gz	MZBWDOBYAPAMNJ-NUMVDIDZSA-N	-1	0	286.253	2.769	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(SC(C)C)cc1	ZINC000814960280	632180657	/nfs/dbraw/zinc/18/06/57/632180657.db2.gz	JUNBMPXOZWCMQN-UHFFFAOYSA-N	-1	0	266.366	2.585	20	30		CFEDRM
COCCC(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844622325	632265954	/nfs/dbraw/zinc/26/59/54/632265954.db2.gz	BXKNUOBQORKNNN-UHFFFAOYSA-N	-1	0	250.298	2.518	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000844622422	632266278	/nfs/dbraw/zinc/26/62/78/632266278.db2.gz	ZGOFWTDGUNVDLF-MRVPVSSYSA-N	-1	0	280.280	2.624	20	30		CFEDRM
Cc1c(NN=C2CCCc3c2cnn3C)cccc1C(=O)[O-]	ZINC000844623357	632266861	/nfs/dbraw/zinc/26/68/61/632266861.db2.gz	JFYYJAYODUTGPM-UHFFFAOYSA-N	-1	0	298.346	2.579	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624113	632267502	/nfs/dbraw/zinc/26/75/02/632267502.db2.gz	VAYKGOOYIVUXDE-GFCCVEGCSA-N	-1	0	264.350	2.987	20	30		CFEDRM
CCOC1CC(N=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844624110	632267651	/nfs/dbraw/zinc/26/76/51/632267651.db2.gz	UVZZSHZREOYONF-UHFFFAOYSA-N	-1	0	262.309	2.660	20	30		CFEDRM
Cc1c(N=NC2CCS[C@H]2C)cccc1C(=O)[O-]	ZINC000844623989	632267740	/nfs/dbraw/zinc/26/77/40/632267740.db2.gz	RMPZAGXKGIMHSJ-VIFPVBQESA-N	-1	0	264.350	2.987	20	30		CFEDRM
Cc1c(N=NC2CCCSC2)cccc1C(=O)[O-]	ZINC000844623714	632268006	/nfs/dbraw/zinc/26/80/06/632268006.db2.gz	QOUKLCKJHSHZQN-UHFFFAOYSA-N	-1	0	264.350	2.988	20	30		CFEDRM
COC[C@@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624494	632268010	/nfs/dbraw/zinc/26/80/10/632268010.db2.gz	QJPDWOACZNLLEG-SECBINFHSA-N	-1	0	264.325	2.764	20	30		CFEDRM
CC[C@H](C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000816499450	632472403	/nfs/dbraw/zinc/47/24/03/632472403.db2.gz	QHTARNVTJIIVPU-JKUQZMGJSA-N	-1	0	283.187	2.980	20	30		CFEDRM
C=CCSCCNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000816966978	632540512	/nfs/dbraw/zinc/54/05/12/632540512.db2.gz	RQAVVKFOYSEJFI-UHFFFAOYSA-N	-1	0	294.401	2.766	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c1	ZINC000845841724	632578781	/nfs/dbraw/zinc/57/87/81/632578781.db2.gz	PNPPGNIRPUZSFH-HNNXBMFYSA-N	-1	0	292.338	2.648	20	30		CFEDRM
N#Cc1ccc(CSCC(=O)[N-]OCCC2CC2)cc1	ZINC000817379553	632617190	/nfs/dbraw/zinc/61/71/90/632617190.db2.gz	RYQIXFTXVMKXBX-UHFFFAOYSA-N	-1	0	290.388	2.639	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000846151762	632647490	/nfs/dbraw/zinc/64/74/90/632647490.db2.gz	GOFJFAGGKRVESW-NSHDSACASA-N	-1	0	290.363	2.545	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccc(C)cc1	ZINC000846536155	632725043	/nfs/dbraw/zinc/72/50/43/632725043.db2.gz	VSUYWKHQFKXFIB-UHFFFAOYSA-N	-1	0	255.264	2.711	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc2c(c1)CCC2	ZINC000846537145	632726532	/nfs/dbraw/zinc/72/65/32/632726532.db2.gz	BWMAUZXKDKDSSO-LBPRGKRZSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(OC)c(OC)c1	ZINC000846536779	632726666	/nfs/dbraw/zinc/72/66/66/632726666.db2.gz	ZZEKYXSHZPWBDT-UHFFFAOYSA-N	-1	0	293.363	2.605	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(OCC)cc1	ZINC000846540112	632728454	/nfs/dbraw/zinc/72/84/54/632728454.db2.gz	NBBDTWOGSOXENT-UHFFFAOYSA-N	-1	0	281.377	2.801	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1csc(-c2ccc(C)o2)n1	ZINC000846539222	632728564	/nfs/dbraw/zinc/72/85/64/632728564.db2.gz	YSXXQZXITADGKM-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(OC)cc2)CCC1	ZINC000846540281	632729360	/nfs/dbraw/zinc/72/93/60/632729360.db2.gz	YUGKVUQLCWEJMU-UHFFFAOYSA-N	-1	0	275.348	2.741	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(Cl)cc1C	ZINC000846542156	632730458	/nfs/dbraw/zinc/73/04/58/632730458.db2.gz	VTCCMJJEDBDICO-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl	ZINC000846543990	632731557	/nfs/dbraw/zinc/73/15/57/632731557.db2.gz	DJYCYQRTJMBFDG-IUCAKERBSA-N	-1	0	287.718	2.869	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000846544647	632732769	/nfs/dbraw/zinc/73/27/69/632732769.db2.gz	XUXMKTYQJFFOPZ-UWVGGRQHSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](SC)c1ccccc1	ZINC000846545291	632733842	/nfs/dbraw/zinc/73/38/42/632733842.db2.gz	NGCRRONJTHYQPP-CMPLNLGQSA-N	-1	0	251.351	2.713	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](SC)c1ccccc1	ZINC000846545293	632734312	/nfs/dbraw/zinc/73/43/12/632734312.db2.gz	NGCRRONJTHYQPP-JQWIXIFHSA-N	-1	0	251.351	2.713	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000846548019	632736667	/nfs/dbraw/zinc/73/66/67/632736667.db2.gz	CPHXUAXPSOAIFB-MRVPVSSYSA-N	-1	0	259.227	2.540	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@@H]1CCCC[C@@H]1CC	ZINC000846549060	632737771	/nfs/dbraw/zinc/73/77/71/632737771.db2.gz	MSIRVVGIODHHGX-RWMBFGLXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846554901	632741760	/nfs/dbraw/zinc/74/17/60/632741760.db2.gz	LLKGWMWTULZXPD-LRDDRELGSA-N	-1	0	295.379	2.677	20	30		CFEDRM
C=CCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000846715550	632779864	/nfs/dbraw/zinc/77/98/64/632779864.db2.gz	GTEHVJWCSRJHMD-ZIAGYGMSSA-N	-1	0	273.332	2.772	20	30		CFEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000818992131	632925390	/nfs/dbraw/zinc/92/53/90/632925390.db2.gz	MWWNDUKHRWGTDG-DGKIVPNZSA-N	-1	0	262.187	2.670	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C2CC2)c1	ZINC000847620458	633010224	/nfs/dbraw/zinc/01/02/24/633010224.db2.gz	AECDWFUCBGCWIY-HNNXBMFYSA-N	-1	0	282.343	2.509	20	30		CFEDRM
CO[C@H](C/N=C/c1cc(Cl)ccc1O)[C@H]1CCOC1	ZINC000849170795	633578095	/nfs/dbraw/zinc/57/80/95/633578095.db2.gz	UMUIQZNNDBHFCG-HKCYIBJPSA-N	-1	0	283.755	2.516	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc(F)cc1[O-]	ZINC000849247586	633590535	/nfs/dbraw/zinc/59/05/35/633590535.db2.gz	VIGVRHVFFNODRO-ALCCZGGFSA-N	-1	0	287.294	2.744	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC=C(C)CC2)CC1	ZINC000851031585	634187661	/nfs/dbraw/zinc/18/76/61/634187661.db2.gz	DVZPFOPPKVBAIT-AWEZNQCLSA-N	-1	0	297.420	2.678	20	30		CFEDRM
N#Cc1c(Cl)nsc1NC[C@H](C(=O)[O-])C1CCC1	ZINC000852913352	634859577	/nfs/dbraw/zinc/85/95/77/634859577.db2.gz	QSVNDUJKRWORIU-QMMMGPOBSA-N	-1	0	285.756	2.581	20	30		CFEDRM
CCOC1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000853325894	634969369	/nfs/dbraw/zinc/96/93/69/634969369.db2.gz	MVYDNHYZNBHYGT-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000853379800	634987662	/nfs/dbraw/zinc/98/76/62/634987662.db2.gz	JYDOUHKLVSLNDL-CYBMUJFWSA-N	-1	0	290.363	2.748	20	30		CFEDRM
C[C@H](Oc1cccc(C=NOCC2CCC2)c1)C(=O)[O-]	ZINC000853439485	635000663	/nfs/dbraw/zinc/00/06/63/635000663.db2.gz	ILPCTXNUYXCSQB-NSHDSACASA-N	-1	0	277.320	2.689	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NOCC2CCC2)cc1)C(=O)[O-]	ZINC000853440600	635000846	/nfs/dbraw/zinc/00/08/46/635000846.db2.gz	FKGGZADPEGTRMW-LLVKDONJSA-N	-1	0	277.320	2.689	20	30		CFEDRM
C#C[C@@](C)(CC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000854699788	635372110	/nfs/dbraw/zinc/37/21/10/635372110.db2.gz	GBSZIYMNDFACJZ-ZDUSSCGKSA-N	-1	0	251.713	2.577	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CC(C)(C)C	ZINC000112761626	635418403	/nfs/dbraw/zinc/41/84/03/635418403.db2.gz	HVPIATXVGDPKLU-UHFFFAOYSA-N	-1	0	277.430	2.839	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854909270	635420955	/nfs/dbraw/zinc/42/09/55/635420955.db2.gz	VCMLEGKJPASNCV-UHFFFAOYSA-N	-1	0	289.360	2.786	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000856029020	635703949	/nfs/dbraw/zinc/70/39/49/635703949.db2.gz	WNEPHQUTBOYDKZ-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000856029594	635705239	/nfs/dbraw/zinc/70/52/39/635705239.db2.gz	VNZOOSCABMSDQS-NSHDSACASA-N	-1	0	281.739	2.515	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1	ZINC000856032846	635708065	/nfs/dbraw/zinc/70/80/65/635708065.db2.gz	TUFPOGMPWGYDMD-IHRRRGAJSA-N	-1	0	269.385	2.984	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCC1CCC1	ZINC000856349987	635792235	/nfs/dbraw/zinc/79/22/35/635792235.db2.gz	NIUAYFOWYQYRDP-CYBMUJFWSA-N	-1	0	270.373	2.806	20	30		CFEDRM
CCCC[C@@H](C(=O)C(C#N)=C([O-])c1nccn1C)C(C)C	ZINC000857013273	635905156	/nfs/dbraw/zinc/90/51/56/635905156.db2.gz	LQYYQXDXMXONKJ-CHWSQXEVSA-N	-1	0	289.379	2.774	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCOCC2)c(F)c1	ZINC000857210521	635947586	/nfs/dbraw/zinc/94/75/86/635947586.db2.gz	UJOJBTZFSTXPTM-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1ccsc1	ZINC000159380492	650258382	/nfs/dbraw/zinc/25/83/82/650258382.db2.gz	HFZZUYNWMIVMOT-UHFFFAOYSA-N	-1	0	289.422	2.914	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccs1)C1CC1	ZINC000048450427	650266983	/nfs/dbraw/zinc/26/69/83/650266983.db2.gz	DXXNGBVBNMYTRF-FPLPWBNLSA-N	-1	0	271.363	2.750	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000048472343	650268428	/nfs/dbraw/zinc/26/84/28/650268428.db2.gz	GVMNZTFUSGETEQ-JTQLQIEISA-N	-1	0	287.406	2.700	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000048474517	650268564	/nfs/dbraw/zinc/26/85/64/650268564.db2.gz	AQAKENSXJJUYND-JTQLQIEISA-N	-1	0	287.406	2.700	20	30		CFEDRM
COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1F	ZINC000159862634	650282183	/nfs/dbraw/zinc/28/21/83/650282183.db2.gz	BBAQWLCTGVXGRQ-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)c(Cl)c1	ZINC000194592219	636792980	/nfs/dbraw/zinc/79/29/80/636792980.db2.gz	HJMVOMVNOLMNKK-MRVPVSSYSA-N	-1	0	279.073	2.939	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000049004118	650285480	/nfs/dbraw/zinc/28/54/80/650285480.db2.gz	NQFRWPCFRFKOQG-NHAQELONSA-N	-1	0	297.376	2.759	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](OCC)c1ccccc1	ZINC000049054859	650286474	/nfs/dbraw/zinc/28/64/74/650286474.db2.gz	JISXTQIPYSUWFH-ZDUSSCGKSA-N	-1	0	299.392	2.851	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)C1CC1	ZINC000049135119	650288678	/nfs/dbraw/zinc/28/86/78/650288678.db2.gz	BJUKNRPOJRIMTG-SNVBAGLBSA-N	-1	0	292.360	2.640	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CC2)cc1	ZINC000049135208	650289028	/nfs/dbraw/zinc/28/90/28/650289028.db2.gz	NXIUPDKIBNFOAA-JTQLQIEISA-N	-1	0	297.376	2.777	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)o1	ZINC000860463838	636890970	/nfs/dbraw/zinc/89/09/70/636890970.db2.gz	ICXORJZJASKTHT-VIFPVBQESA-N	-1	0	298.289	2.846	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc(C(F)F)c1	ZINC000860463316	636891431	/nfs/dbraw/zinc/89/14/31/636891431.db2.gz	AHXOBUGOYJISLP-SNVBAGLBSA-N	-1	0	298.289	2.846	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCCO1	ZINC000863064706	637547600	/nfs/dbraw/zinc/54/76/00/637547600.db2.gz	OOLRUNLMOQAJGZ-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
COC1CCC(CN=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000863126093	637566349	/nfs/dbraw/zinc/56/63/49/637566349.db2.gz	DBVDJLCIDLXMLE-UHFFFAOYSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CCCCCCCNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000864158835	637896712	/nfs/dbraw/zinc/89/67/12/637896712.db2.gz	HWKIDPFSNASXDA-UHFFFAOYSA-N	-1	0	293.363	2.850	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000864183787	637906748	/nfs/dbraw/zinc/90/67/48/637906748.db2.gz	MLROFUIVXMPTSK-USWWRNFRSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000864183354	637906759	/nfs/dbraw/zinc/90/67/59/637906759.db2.gz	IXTLXLQLSNUSJD-ONGXEEELSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC1=CCCCC1)C(=O)[O-]	ZINC000864183532	637906824	/nfs/dbraw/zinc/90/68/24/637906824.db2.gz	GTMDBCBTJJHINH-LLVKDONJSA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000864184144	637906844	/nfs/dbraw/zinc/90/68/44/637906844.db2.gz	OCGUMVJATGXFHA-DLOVCJGASA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000864184247	637907822	/nfs/dbraw/zinc/90/78/22/637907822.db2.gz	PLJDYYYAQNWXBJ-SKDRFNHKSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cccc(CC)c1)C(=O)[O-]	ZINC000864186887	637908292	/nfs/dbraw/zinc/90/82/92/637908292.db2.gz	ZCAFLQFBEKDXOT-CYBMUJFWSA-N	-1	0	295.766	2.504	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000864186849	637908582	/nfs/dbraw/zinc/90/85/82/637908582.db2.gz	YREDZECOKJBQSI-GHMZBOCLSA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000864186464	637908588	/nfs/dbraw/zinc/90/85/88/637908588.db2.gz	PYYITCXZAGFHNT-WDEREUQCSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000864186463	637908694	/nfs/dbraw/zinc/90/86/94/637908694.db2.gz	PYYITCXZAGFHNT-QWRGUYRKSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1coc(C(F)F)c1)C(=O)[O-]	ZINC000864187644	637909615	/nfs/dbraw/zinc/90/96/15/637909615.db2.gz	ANIQUPJOGOKKOD-SSDOTTSWSA-N	-1	0	293.653	2.543	20	30		CFEDRM
CCC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000864344712	637945705	/nfs/dbraw/zinc/94/57/05/637945705.db2.gz	FMDZPVGGUBMXTA-NCPSJORJSA-N	-1	0	280.324	2.925	20	30		CFEDRM
Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)CC(C)C)c1	ZINC000076607801	650396003	/nfs/dbraw/zinc/39/60/03/650396003.db2.gz	GIYKSGALTDWGSC-UHFFFAOYSA-N	-1	0	283.393	2.788	20	30		CFEDRM
C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C#N)c1[O-]	ZINC000866340770	638799349	/nfs/dbraw/zinc/79/93/49/638799349.db2.gz	LZJTUSQYZPVUGS-RISCZKNCSA-N	-1	0	286.331	2.631	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C=C1CCC(C)(C)CC1	ZINC000191272763	650486819	/nfs/dbraw/zinc/48/68/19/650486819.db2.gz	PNRNIZREUWATDD-UHFFFAOYSA-N	-1	0	265.353	2.612	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c(Cl)cnn2C)c([O-])c1	ZINC000122696554	639339559	/nfs/dbraw/zinc/33/95/59/639339559.db2.gz	UNSSAPZCKXYADI-AATRIKPKSA-N	-1	0	292.722	2.684	20	30		CFEDRM
Cc1cc2cc(C([O-])=C(C#N)C(=O)NC3CC3)oc2cc1C	ZINC000122910717	639505804	/nfs/dbraw/zinc/50/58/04/639505804.db2.gz	AUPBNHTZUNAPOU-ZDUSSCGKSA-N	-1	0	296.326	2.651	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc(SC)c1	ZINC000870134157	639527371	/nfs/dbraw/zinc/52/73/71/639527371.db2.gz	IPLZCHKUKCXPMV-NSHDSACASA-N	-1	0	294.376	2.630	20	30		CFEDRM
CN(C(=O)c1cccc(Cl)c1[O-])[C@H]1CCC[C@H]1C#N	ZINC000870673184	639762568	/nfs/dbraw/zinc/76/25/68/639762568.db2.gz	DDDHZNMTOGQZBX-CABZTGNLSA-N	-1	0	278.739	2.810	20	30		CFEDRM
CC[C@@H](C)CC[C@H](O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689772	639772709	/nfs/dbraw/zinc/77/27/09/639772709.db2.gz	BEYOKIZXLXKDGZ-OCCSQVGLSA-N	-1	0	290.363	2.546	20	30		CFEDRM
Cc1noc(C)c1C(C)(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690797	639773856	/nfs/dbraw/zinc/77/38/56/639773856.db2.gz	UOTVJVKTKMAIQH-UHFFFAOYSA-N	-1	0	299.330	2.551	20	30		CFEDRM
CO[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCCC1	ZINC000870691111	639773857	/nfs/dbraw/zinc/77/38/57/639773857.db2.gz	ZWQAKXRNTKAJGB-OAHLLOKOSA-N	-1	0	288.347	2.564	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2ccn(C3CCCC3)n2)c1	ZINC000870691481	639774494	/nfs/dbraw/zinc/77/44/94/639774494.db2.gz	MTNOZXDFTIDIJY-UHFFFAOYSA-N	-1	0	296.330	2.594	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCC1	ZINC000192220258	650549951	/nfs/dbraw/zinc/54/99/51/650549951.db2.gz	HBAMTDUGNZGSAF-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](CC)CCCC)CC1	ZINC000870834465	641091409	/nfs/dbraw/zinc/09/14/09/641091409.db2.gz	FEUDZJXLDZHEGB-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2sccc2C(C)C)CC1	ZINC000870832633	641091472	/nfs/dbraw/zinc/09/14/72/641091472.db2.gz	BZMWWELNFYVYJY-UHFFFAOYSA-N	-1	0	299.417	2.650	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCCCCC)CC1	ZINC000870834967	641091729	/nfs/dbraw/zinc/09/17/29/641091729.db2.gz	WXOAGQDPGRTFBN-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)CC1	ZINC000870834820	641091810	/nfs/dbraw/zinc/09/18/10/641091810.db2.gz	RFGZLTXGORKJMU-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1CCCCCC1	ZINC000123365559	641104279	/nfs/dbraw/zinc/10/42/79/641104279.db2.gz	SOWQHRIEOHVBJB-CYBMUJFWSA-N	-1	0	287.363	2.672	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000193369259	650647586	/nfs/dbraw/zinc/64/75/86/650647586.db2.gz	YQIDVNREXUMQSI-HNNXBMFYSA-N	-1	0	286.375	2.932	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(F)c1	ZINC000193372669	650647670	/nfs/dbraw/zinc/64/76/70/650647670.db2.gz	JSIACULEQQKSIU-NSHDSACASA-N	-1	0	294.301	2.594	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1Cl	ZINC000080298615	650660746	/nfs/dbraw/zinc/66/07/46/650660746.db2.gz	ZNXWAPPPCJCNGS-WCBMZHEXSA-N	-1	0	287.768	2.950	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2ccnc(Cl)c2s1)C(=O)[O-]	ZINC000872376009	641779757	/nfs/dbraw/zinc/77/97/57/641779757.db2.gz	BVNKPZBUOQMQKH-SECBINFHSA-N	-1	0	297.767	2.736	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(OC(C)(C)C)c1)C(=O)[O-]	ZINC000872376981	641780656	/nfs/dbraw/zinc/78/06/56/641780656.db2.gz	VZVGHMIDZACBOX-ZDUSSCGKSA-N	-1	0	278.352	2.651	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1cccc(SC(F)(F)F)c1	ZINC000872377418	641782149	/nfs/dbraw/zinc/78/21/49/641782149.db2.gz	FKCSLHLNVZCMKM-UHFFFAOYSA-N	-1	0	292.282	2.697	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNC[C@H]2CCCC2(F)F)cc1[O-]	ZINC000872408116	641797088	/nfs/dbraw/zinc/79/70/88/641797088.db2.gz	MSLWRTYWDFVSHE-SNVBAGLBSA-N	-1	0	299.277	2.659	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC[C@H]1CCCC1(F)F	ZINC000872407421	641797388	/nfs/dbraw/zinc/79/73/88/641797388.db2.gz	SRYOGEVMDNJDHK-OUAUKWLOSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000872752151	641920490	/nfs/dbraw/zinc/92/04/90/641920490.db2.gz	JWECGNHWVFYZIB-UHFFFAOYSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)CC1(C(=O)[O-])CCC1	ZINC000872751773	641920993	/nfs/dbraw/zinc/92/09/93/641920993.db2.gz	HKMJJWFZLAIKNB-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000872752916	641921247	/nfs/dbraw/zinc/92/12/47/641921247.db2.gz	QFOIWULOHPFKMZ-QWHCGFSZSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000872853429	641951546	/nfs/dbraw/zinc/95/15/46/641951546.db2.gz	UQQNJKCCCCFULH-PMPSAXMXSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-]	ZINC000873006086	641982736	/nfs/dbraw/zinc/98/27/36/641982736.db2.gz	YOCCDFFOQNSZBK-MNOVXSKESA-N	-1	0	287.425	2.690	20	30		CFEDRM
Cc1c(C#N)c(N[C@H]2C[C@@H](C(=O)[O-])C2)nc2ccccc12	ZINC000873065904	642002177	/nfs/dbraw/zinc/00/21/77/642002177.db2.gz	LXAUSFWOPAJACG-PHIMTYICSA-N	-1	0	281.315	2.690	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F	ZINC000873565333	642252535	/nfs/dbraw/zinc/25/25/35/642252535.db2.gz	NNLPTGXZGWRZRB-NSHDSACASA-N	-1	0	299.367	2.689	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](C)C(C)(C)C	ZINC000873603720	642271739	/nfs/dbraw/zinc/27/17/39/642271739.db2.gz	LQSPOHSJIRIKLV-LLVKDONJSA-N	-1	0	289.441	2.717	20	30		CFEDRM
O=C([N-]CC(F)(F)F)C(F)(F)c1cc(F)cc(F)c1	ZINC000873935236	642309553	/nfs/dbraw/zinc/30/95/53/642309553.db2.gz	WOSSHRHITKIDPM-UHFFFAOYSA-N	-1	0	289.150	2.735	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000874421042	642381378	/nfs/dbraw/zinc/38/13/78/642381378.db2.gz	ZROPLMADMSBKJM-ZDUSSCGKSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CCSc1ccc(Cl)cc1C(=O)[N-]S(C)(=O)=O	ZINC000083937406	650769490	/nfs/dbraw/zinc/76/94/90/650769490.db2.gz	FZAUCCDKRMRTQN-UHFFFAOYSA-N	-1	0	293.797	2.716	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C1CC1	ZINC000083791539	650767908	/nfs/dbraw/zinc/76/79/08/650767908.db2.gz	LAXWEDBLLJRPGO-UHFFFAOYSA-N	-1	0	273.741	2.536	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(F)cc1F	ZINC000086054403	650794927	/nfs/dbraw/zinc/79/49/27/650794927.db2.gz	BWLGUQPBVYDRHC-UHFFFAOYSA-N	-1	0	289.303	2.542	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cccc(O)c2)c1	ZINC000126306456	643111936	/nfs/dbraw/zinc/11/19/36/643111936.db2.gz	TZUVIVVHVNVMTP-BQYQJAHWSA-N	-1	0	268.268	2.987	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cc(O)ccc2O)c1	ZINC000126466487	643234640	/nfs/dbraw/zinc/23/46/40/643234640.db2.gz	CALZHBJTSDVYCR-GQCTYLIASA-N	-1	0	284.267	2.692	20	30		CFEDRM
C=C(C)C[C@H](NCc1cccc(Cl)c1[O-])C(=O)OC	ZINC000877690895	643456891	/nfs/dbraw/zinc/45/68/91/643456891.db2.gz	WCHDVKJYUOVLEI-LBPRGKRZSA-N	-1	0	283.755	2.643	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000089963668	650860219	/nfs/dbraw/zinc/86/02/19/650860219.db2.gz	CSDBFQJXSRCZIO-WMZJFQQLSA-N	-1	0	253.323	2.606	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000089963897	650860225	/nfs/dbraw/zinc/86/02/25/650860225.db2.gz	KHIHTHWCOWWTNH-YHYXMXQVSA-N	-1	0	267.350	2.915	20	30		CFEDRM
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000127134987	643908147	/nfs/dbraw/zinc/90/81/47/643908147.db2.gz	USSITIUZNJRNON-SECBINFHSA-N	-1	0	298.346	2.736	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OCCCC)cc1	ZINC000092463236	650920346	/nfs/dbraw/zinc/92/03/46/650920346.db2.gz	MIYJIJZJOQVZAJ-UHFFFAOYSA-N	-1	0	291.347	2.578	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(F)c1	ZINC000092467372	650920539	/nfs/dbraw/zinc/92/05/39/650920539.db2.gz	WULAKBINBJEKIP-UHFFFAOYSA-N	-1	0	286.690	2.584	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000130358110	645487353	/nfs/dbraw/zinc/48/73/53/645487353.db2.gz	AZIFFSGGNVROLQ-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
CN(C)c1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000026302309	645524415	/nfs/dbraw/zinc/52/44/15/645524415.db2.gz	NHPDBASPWDMOIM-GZTJUZNOSA-N	-1	0	299.330	2.986	20	30		CFEDRM
C=CCC1(NS(=O)(=O)c2ccns2)CCCCC1	ZINC000885219931	646639278	/nfs/dbraw/zinc/63/92/78/646639278.db2.gz	IZDMOPYYPLOOPN-UHFFFAOYSA-N	-1	0	286.422	2.700	20	30		CFEDRM
O=C(/C=C/c1ccc(O)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136508375	646842848	/nfs/dbraw/zinc/84/28/48/646842848.db2.gz	DNNHWPYMJHSVLN-XVNBXDOJSA-N	-1	0	285.255	2.902	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136515836	646844325	/nfs/dbraw/zinc/84/43/25/646844325.db2.gz	ARTFPNQORCGFHA-GQCTYLIASA-N	-1	0	287.275	2.536	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC[C@H]2CCCO2)c1[O-]	ZINC000887269984	647256852	/nfs/dbraw/zinc/25/68/52/647256852.db2.gz	FIBHIFXZPWGIGS-OXFWXOROSA-N	-1	0	298.726	2.942	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000887294784	647261961	/nfs/dbraw/zinc/26/19/61/647261961.db2.gz	MGYCMGMWQNRCCQ-BARDWOONSA-N	-1	0	291.391	2.762	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000887325228	647271356	/nfs/dbraw/zinc/27/13/56/647271356.db2.gz	JVESXGJTOWHKLQ-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CCC[C@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926464101	648497737	/nfs/dbraw/zinc/49/77/37/648497737.db2.gz	QNYCLTDCDCFTMA-MNOVXSKESA-N	-1	0	257.330	2.567	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccsc1	ZINC000254308564	651086324	/nfs/dbraw/zinc/08/63/24/651086324.db2.gz	BLGKXUNQFZOKHG-UHFFFAOYSA-N	-1	0	278.284	2.529	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)sc1C	ZINC000119750372	651300281	/nfs/dbraw/zinc/30/02/81/651300281.db2.gz	FTJOBFWSFIFIDO-GFCCVEGCSA-N	-1	0	290.388	2.746	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(F)cc(F)c2[O-])n1	ZINC001243504573	782240915	/nfs/dbraw/zinc/24/09/15/782240915.db2.gz	RUUSVJALSTZMHK-UHFFFAOYSA-N	-1	0	261.231	2.561	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243511300	782246761	/nfs/dbraw/zinc/24/67/61/782246761.db2.gz	BREWLZNWWYSJFI-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COc1ccnc(-c2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001243512686	782247722	/nfs/dbraw/zinc/24/77/22/782247722.db2.gz	YFIGWELTQDZTCX-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ccn1	ZINC001243512960	782248496	/nfs/dbraw/zinc/24/84/96/782248496.db2.gz	CBIQWSFDOWQABC-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1cc(C#N)cnc1-c1c(F)cc([O-])cc1F	ZINC001241117549	782251910	/nfs/dbraw/zinc/25/19/10/782251910.db2.gz	RSBJEXPUHVFXFH-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cc(-c2ccc(Cl)c([O-])c2)ncc1C#N	ZINC001243577116	782287373	/nfs/dbraw/zinc/28/73/73/782287373.db2.gz	UDFWRCRCYOFYQY-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
COc1cc(Nc2cc(C#N)ccc2O)cc(C)n1	ZINC001210780924	770369299	/nfs/dbraw/zinc/36/92/99/770369299.db2.gz	KLFKIBWFYNDYFN-UHFFFAOYSA-N	-1	0	255.277	2.720	20	30		CFEDRM
N#Cc1cc2c(ccn2-c2ccccc2C(=O)[O-])c(N)c1	ZINC001210968990	770407131	/nfs/dbraw/zinc/40/71/31/770407131.db2.gz	OLQGWFKVCUIECW-UHFFFAOYSA-N	-1	0	277.283	2.783	20	30		CFEDRM
Cc1noc([N-]c2cc(Br)cnc2F)c1C#N	ZINC001211264137	770472118	/nfs/dbraw/zinc/47/21/18/770472118.db2.gz	CLEMZBOZBSNVCR-UHFFFAOYSA-N	-1	0	297.087	2.895	20	30		CFEDRM
COc1ncc(-c2cc(F)c([O-])cc2F)cc1C#N	ZINC001211339367	770486104	/nfs/dbraw/zinc/48/61/04/770486104.db2.gz	NKECXKBIAAPDNC-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#Cc1c(Br)cccc1N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693375043	770564306	/nfs/dbraw/zinc/56/43/06/770564306.db2.gz	OVVAYMDTERNCDV-OCAPTIKFSA-N	-1	0	295.136	2.596	20	30		CFEDRM
Cc1cc(Nc2cncc(C#N)c2)cc(C(=O)[O-])c1	ZINC001211535300	770829769	/nfs/dbraw/zinc/82/97/69/770829769.db2.gz	YLDNVNJWYCHFSA-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
N#CC=C([O-])N=c1sccn1Cc1ccccc1Cl	ZINC000588501067	770882350	/nfs/dbraw/zinc/88/23/50/770882350.db2.gz	CDHJYSVRJIEVFT-UHFFFAOYSA-N	-1	0	291.763	2.592	20	30		CFEDRM
C=C1CCC(CNC(=O)c2cc(C)c(C(=O)[O-])o2)CC1	ZINC000724440937	770883684	/nfs/dbraw/zinc/88/36/84/770883684.db2.gz	OKIHHWMCZCEZCH-UHFFFAOYSA-N	-1	0	277.320	2.762	20	30		CFEDRM
Cc1cnc(C#N)c(Nc2cc(F)c(O)c(F)c2)c1	ZINC001213375085	773199248	/nfs/dbraw/zinc/19/92/48/773199248.db2.gz	OXFJLTDKLDTYMR-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)OCCCC[P@@](=O)([O-])O	ZINC001225018564	775336714	/nfs/dbraw/zinc/33/67/14/775336714.db2.gz	ATJQGHJUKZTQBO-HNNXBMFYSA-N	-1	0	296.303	2.791	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CC2CCC1CC2	ZINC001226009036	775666616	/nfs/dbraw/zinc/66/66/16/775666616.db2.gz	QRXBDSIYJFNYKB-SHVIVCPWSA-N	-1	0	262.284	2.755	20	30		CFEDRM
C=C[C@@H]1O[C@@H](Oc2cccc([S-])c2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001226013409	775668787	/nfs/dbraw/zinc/66/87/87/775668787.db2.gz	GGOWXKIZEZPYHT-XDQVBPFNSA-N	-1	0	294.372	2.785	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccs1	ZINC001226013696	775668843	/nfs/dbraw/zinc/66/88/43/775668843.db2.gz	QKTQLQYNRJXKOS-ZETCQYMHSA-N	-1	0	264.281	2.999	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cccs1	ZINC001226013695	775669376	/nfs/dbraw/zinc/66/93/76/775669376.db2.gz	QKTQLQYNRJXKOS-SSDOTTSWSA-N	-1	0	264.281	2.999	20	30		CFEDRM
COc1ccccc1[C@@H](C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013370	775669391	/nfs/dbraw/zinc/66/93/91/775669391.db2.gz	MLRROVLHMRKLCV-SECBINFHSA-N	-1	0	288.278	2.947	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226012798	775669426	/nfs/dbraw/zinc/66/94/26/775669426.db2.gz	GIEQLXCAACDDJK-NSHDSACASA-N	-1	0	262.284	2.759	20	30		CFEDRM
CC[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063962	775685270	/nfs/dbraw/zinc/68/52/70/775685270.db2.gz	NGJMWWCXYUWFMY-ZCFIWIBFSA-N	-1	0	260.215	2.855	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068349	775687810	/nfs/dbraw/zinc/68/78/10/775687810.db2.gz	OMKOEAYTSOEILG-QMMMGPOBSA-N	-1	0	284.237	2.858	20	30		CFEDRM
O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cccc(/C=N/O)c1)C2	ZINC001226110208	775701742	/nfs/dbraw/zinc/70/17/42/775701742.db2.gz	ONYSLBAZGKODOW-KFXAOSDLSA-N	-1	0	298.298	2.949	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226220951	775741021	/nfs/dbraw/zinc/74/10/21/775741021.db2.gz	CXDKNSYGUQNXEU-AWEZNQCLSA-N	-1	0	264.284	2.721	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)Cc2ccco2)c1C#N	ZINC001226223210	775742413	/nfs/dbraw/zinc/74/24/13/775742413.db2.gz	MOINTEXZANXXPY-JTQLQIEISA-N	-1	0	258.277	2.570	20	30		CFEDRM
O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCCS1	ZINC000328581964	775749744	/nfs/dbraw/zinc/74/97/44/775749744.db2.gz	YLQOQZKOGQWBOH-OUAUKWLOSA-N	-1	0	271.382	2.872	20	30		CFEDRM
C=C[C@H](CCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346934	775786740	/nfs/dbraw/zinc/78/67/40/775786740.db2.gz	NJMYYBHFNFJYEM-SSDOTTSWSA-N	-1	0	262.231	2.935	20	30		CFEDRM
C=CC[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(C)C	ZINC001226417496	775812084	/nfs/dbraw/zinc/81/20/84/775812084.db2.gz	UFDFHAIDXGHMAZ-NSHDSACASA-N	-1	0	286.349	2.618	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226415471	775813093	/nfs/dbraw/zinc/81/30/93/775813093.db2.gz	HHDBHTQFDAJCDP-LLVKDONJSA-N	-1	0	286.349	2.763	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cnccc21)[C@H](CC)CCCC	ZINC001226973912	776040210	/nfs/dbraw/zinc/04/02/10/776040210.db2.gz	KIMYXTOPYNZMTB-IUODEOHRSA-N	-1	0	299.374	2.915	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001227069207	776082210	/nfs/dbraw/zinc/08/22/10/776082210.db2.gz	GNAFKJNXWWTHNK-GHMZBOCLSA-N	-1	0	286.335	2.738	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227092210	776091281	/nfs/dbraw/zinc/09/12/81/776091281.db2.gz	OHERJFKRUBCRRF-MRVPVSSYSA-N	-1	0	275.264	2.587	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000398230466	776141235	/nfs/dbraw/zinc/14/12/35/776141235.db2.gz	SAOVBEQCJMUNPA-LLVKDONJSA-N	-1	0	265.353	2.803	20	30		CFEDRM
Cc1ccc2nc(=O)[n-]c(O[C@H](C)[C@H](C)S)c2c1	ZINC001227352077	776184362	/nfs/dbraw/zinc/18/43/62/776184362.db2.gz	ZXICTHZABBHOLT-BDAKNGLRSA-N	-1	0	264.350	2.729	20	30		CFEDRM
C=CC[C@H](Oc1nc(=O)[n-]c(=O)[nH]1)c1ccc(Cl)cc1	ZINC001227571276	776232248	/nfs/dbraw/zinc/23/22/48/776232248.db2.gz	RLJPTEJUCHNBLQ-JTQLQIEISA-N	-1	0	293.710	2.632	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=S)nnc1C	ZINC001227599342	776237698	/nfs/dbraw/zinc/23/76/98/776237698.db2.gz	ZTUPLNOCRNTZHD-SNVBAGLBSA-N	-1	0	253.371	2.982	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=S)nnc1C	ZINC001227601072	776239389	/nfs/dbraw/zinc/23/93/89/776239389.db2.gz	GFAOXKHVQCLTLS-CYBMUJFWSA-N	-1	0	285.372	2.678	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227611805	776242248	/nfs/dbraw/zinc/24/22/48/776242248.db2.gz	SHVYZGNQQRIOQS-SNVBAGLBSA-N	-1	0	283.312	2.545	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227783674	776289171	/nfs/dbraw/zinc/28/91/71/776289171.db2.gz	ODGNAGJUOKCJMC-LLVKDONJSA-N	-1	0	279.336	2.675	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1c[n-]c(C(=O)OC)cc1=O	ZINC001227786208	776290522	/nfs/dbraw/zinc/29/05/22/776290522.db2.gz	PALRGMXQXGOHIU-NSHDSACASA-N	-1	0	279.336	2.675	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccoc1C	ZINC000125627627	776388845	/nfs/dbraw/zinc/38/88/45/776388845.db2.gz	UBJGSEDVGHFCOW-CYBMUJFWSA-N	-1	0	276.336	2.607	20	30		CFEDRM
C#C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387335	776477990	/nfs/dbraw/zinc/47/79/90/776477990.db2.gz	MQPPJNHLZIOFAM-LLVKDONJSA-N	-1	0	260.680	2.589	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228480844	776503075	/nfs/dbraw/zinc/50/30/75/776503075.db2.gz	PZEBDAKTHCSBLH-LLVKDONJSA-N	-1	0	260.680	2.589	20	30		CFEDRM
N#C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1F	ZINC001228482074	776503313	/nfs/dbraw/zinc/50/33/13/776503313.db2.gz	JHRHYDICCGONSS-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1OC1CCC(F)(F)CC1	ZINC001228898544	776650085	/nfs/dbraw/zinc/65/00/85/776650085.db2.gz	JMISCCUSJHVMJH-UHFFFAOYSA-N	-1	0	254.236	2.616	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(F)cc1	ZINC001228899077	776650213	/nfs/dbraw/zinc/65/02/13/776650213.db2.gz	RDNXHOFIVRQIHV-VIFPVBQESA-N	-1	0	258.252	2.938	20	30		CFEDRM
C[C@H](COc1[n-]c(=O)ccc1C#N)Oc1ccccc1	ZINC001228901714	776651700	/nfs/dbraw/zinc/65/17/00/776651700.db2.gz	NRIXWVJLQDTMAN-LLVKDONJSA-N	-1	0	270.288	2.505	20	30		CFEDRM
C[C@H](COc1[n-]c(=O)ccc1C#N)OCc1ccccc1	ZINC001228899986	776651734	/nfs/dbraw/zinc/65/17/34/776651734.db2.gz	BUWWIIMVOBYSQP-GFCCVEGCSA-N	-1	0	284.315	2.643	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H](c1cccnc1)C1CC1	ZINC001228901668	776651748	/nfs/dbraw/zinc/65/17/48/776651748.db2.gz	NOQMOYKNMOEUNH-AWEZNQCLSA-N	-1	0	267.288	2.584	20	30		CFEDRM
C=CC[C@@H](Oc1nc(OC)cc(=O)[n-]1)c1ccccc1	ZINC001228918314	776657967	/nfs/dbraw/zinc/65/79/67/776657967.db2.gz	OCVHNNVVQYFIQR-GFCCVEGCSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229124741	776727345	/nfs/dbraw/zinc/72/73/45/776727345.db2.gz	OBNUJYITFZZQCG-QMMMGPOBSA-N	-1	0	256.277	2.541	20	30		CFEDRM
C=C(C)C[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=C)C	ZINC001229379320	776795351	/nfs/dbraw/zinc/79/53/51/776795351.db2.gz	UQLYHPHSLYYKJC-JTQLQIEISA-N	-1	0	279.296	2.689	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229378780	776795619	/nfs/dbraw/zinc/79/56/19/776795619.db2.gz	MXKPHXGVTLWSRA-VIFPVBQESA-N	-1	0	267.285	2.522	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(Cl)[n-]c(=O)n2)O1	ZINC001230241743	776964222	/nfs/dbraw/zinc/96/42/22/776964222.db2.gz	NEHKFXWTCJUSJV-AMIZOPFISA-N	-1	0	299.758	2.512	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282261	776972917	/nfs/dbraw/zinc/97/29/17/776972917.db2.gz	SVHFTXNYQVIFMN-JTQLQIEISA-N	-1	0	252.314	2.710	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517737	777000479	/nfs/dbraw/zinc/00/04/79/777000479.db2.gz	LLHPPAMPEFECHY-LBPRGKRZSA-N	-1	0	294.372	2.916	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230863285	777077543	/nfs/dbraw/zinc/07/75/43/777077543.db2.gz	ZQFPXFBLBZOMAY-SNVBAGLBSA-N	-1	0	272.304	2.854	20	30		CFEDRM
C[C@@H](CS)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230887097	777082274	/nfs/dbraw/zinc/08/22/74/777082274.db2.gz	VMKLFTXIPUUINL-LURJTMIESA-N	-1	0	270.741	2.686	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889327	777083589	/nfs/dbraw/zinc/08/35/89/777083589.db2.gz	UKLFAMQQQYCTRO-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C1O[C@@H](C)C(=O)C1Oc1cccc2oc(=S)[n-]c21	ZINC001231064187	777129911	/nfs/dbraw/zinc/12/99/11/777129911.db2.gz	CJDFMXPXIXXQIU-LURJTMIESA-N	-1	0	277.301	2.715	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231072790	777132810	/nfs/dbraw/zinc/13/28/10/777132810.db2.gz	CXUNRKDMTMQXFK-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
N#CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1	ZINC001231459037	777226643	/nfs/dbraw/zinc/22/66/43/777226643.db2.gz	RMNSCGHXHUJSHO-LLVKDONJSA-N	-1	0	276.311	2.650	20	30		CFEDRM
N#Cc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])s1)CC2	ZINC001231462676	777227271	/nfs/dbraw/zinc/22/72/71/777227271.db2.gz	NCDWAWVINMFRNU-UHFFFAOYSA-N	-1	0	298.367	2.876	20	30		CFEDRM
Cc1ccc(O)c(CN(CC#N)Cc2ccccc2)n1	ZINC001231674381	777306401	/nfs/dbraw/zinc/30/64/01/777306401.db2.gz	RNZBKXHXOFJLAT-UHFFFAOYSA-N	-1	0	267.332	2.621	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1nc(C)[n-]c(=O)c1F	ZINC001226424423	777537648	/nfs/dbraw/zinc/53/76/48/777537648.db2.gz	PFZAZFYHJFCFOV-JTQLQIEISA-N	-1	0	264.300	2.613	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000126818320	777560529	/nfs/dbraw/zinc/56/05/29/777560529.db2.gz	CTRAAEQPOPWIQS-MRXNPFEDSA-N	-1	0	292.338	2.634	20	30		CFEDRM
CN(CCC#N)Cc1cc(F)c([O-])c(Br)c1	ZINC001232629838	777625470	/nfs/dbraw/zinc/62/54/70/777625470.db2.gz	DZMMBVUHWKECCQ-UHFFFAOYSA-N	-1	0	287.132	2.639	20	30		CFEDRM
C=C[C@@H](CCCCCCC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939035	778118870	/nfs/dbraw/zinc/11/88/70/778118870.db2.gz	GMTAREIHDXASMD-NSHDSACASA-N	-1	0	290.367	2.940	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043542	778151157	/nfs/dbraw/zinc/15/11/57/778151157.db2.gz	DGEMIZXMTSAGJB-NSHDSACASA-N	-1	0	286.331	2.920	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513500	778241180	/nfs/dbraw/zinc/24/11/80/778241180.db2.gz	MMPWRYPCVNSQLQ-LLVKDONJSA-N	-1	0	269.304	2.941	20	30		CFEDRM
CC(C)[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519562	778242695	/nfs/dbraw/zinc/24/26/95/778242695.db2.gz	JGBWNXRSIYYUDA-SECBINFHSA-N	-1	0	257.293	2.630	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234568336	778253609	/nfs/dbraw/zinc/25/36/09/778253609.db2.gz	MKMLSDPNQJCDAI-MRVPVSSYSA-N	-1	0	285.141	2.763	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817558	778300852	/nfs/dbraw/zinc/30/08/52/778300852.db2.gz	DKBDXWNCLADVJU-SMDDNHRTSA-N	-1	0	284.311	2.988	20	30		CFEDRM
CC#C[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234818301	778301601	/nfs/dbraw/zinc/30/16/01/778301601.db2.gz	IQQDHGSTIDLWGV-LBPRGKRZSA-N	-1	0	272.300	2.988	20	30		CFEDRM
C[C@@H](C#N)N(C)Cc1cc(Br)cc(F)c1[O-]	ZINC001235064450	778369107	/nfs/dbraw/zinc/36/91/07/778369107.db2.gz	DLJNILHYWDTBDR-ZETCQYMHSA-N	-1	0	287.132	2.638	20	30		CFEDRM
N#Cc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C#N)c1	ZINC001235077314	778372437	/nfs/dbraw/zinc/37/24/37/778372437.db2.gz	KQSIYBVVKIBGHL-ZZXKWVIFSA-N	-1	0	275.267	2.590	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235148908	778397640	/nfs/dbraw/zinc/39/76/40/778397640.db2.gz	IBZYPPKMLFXACA-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)nc(C2CC2)n1	ZINC001235271936	778441675	/nfs/dbraw/zinc/44/16/75/778441675.db2.gz	YTTYZZOUCGVZQX-FPYGCLRLSA-N	-1	0	291.310	2.990	20	30		CFEDRM
Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C	ZINC000128008179	778470383	/nfs/dbraw/zinc/47/03/83/778470383.db2.gz	PLZWLOXSDUGCBG-FYCOFBDGSA-N	-1	0	284.311	2.532	20	30		CFEDRM
N#Cc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)cnc1F	ZINC001235531464	778512866	/nfs/dbraw/zinc/51/28/66/778512866.db2.gz	KKGYYGCWEJUCLY-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
Cc1c(Cl)c(-c2cc(C#N)ncn2)ccc1C(=O)[O-]	ZINC001236113811	778699290	/nfs/dbraw/zinc/69/92/90/778699290.db2.gz	NCJJMFSPNFPYAC-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1c(Cl)c(-c2cncnc2C#N)ccc1C(=O)[O-]	ZINC001236119884	778700805	/nfs/dbraw/zinc/70/08/05/778700805.db2.gz	IDUGLRZVEIAASD-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1ccc(CN2CCC[C@H](C#N)C2)c([O-])c1Cl	ZINC001236811876	778949332	/nfs/dbraw/zinc/94/93/32/778949332.db2.gz	QOQKLUPUTIGGME-SNVBAGLBSA-N	-1	0	280.755	2.790	20	30		CFEDRM
COc1ccc(CN2CCCC[C@@H]2C#N)c([O-])c1Cl	ZINC001236812259	778949936	/nfs/dbraw/zinc/94/99/36/778949936.db2.gz	UJPDLUDEOUZDLX-LLVKDONJSA-N	-1	0	280.755	2.932	20	30		CFEDRM
CCCCCCOCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176404747	779124679	/nfs/dbraw/zinc/12/46/79/779124679.db2.gz	ALDQDASSAOSGDD-UHFFFAOYSA-N	-1	0	276.336	2.799	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-]	ZINC001237619286	779145932	/nfs/dbraw/zinc/14/59/32/779145932.db2.gz	MGAAACICWNECKK-JTQLQIEISA-N	-1	0	254.692	2.673	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237991578	779223072	/nfs/dbraw/zinc/22/30/72/779223072.db2.gz	BWFLYXFTJLTMCB-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2nccs2)n1	ZINC001122491407	779253886	/nfs/dbraw/zinc/25/38/86/779253886.db2.gz	CDDVYDUCCJCZAR-PKRMOACSSA-N	-1	0	275.358	2.798	20	30		CFEDRM
CCCCN(CC#N)Cc1ccc(F)cc1C(=O)[O-]	ZINC001238237792	779287912	/nfs/dbraw/zinc/28/79/12/779287912.db2.gz	GVKPSCKRUREBJT-UHFFFAOYSA-N	-1	0	264.300	2.650	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000130515693	779445673	/nfs/dbraw/zinc/44/56/73/779445673.db2.gz	UPUNXRHTTVTZJV-SECBINFHSA-N	-1	0	299.157	2.840	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc(C(=O)[O-])cc1F	ZINC001239255721	779485930	/nfs/dbraw/zinc/48/59/30/779485930.db2.gz	DEEJZYDHMJKUMC-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ncccc1-c1ccc(C(=O)[O-])cc1F	ZINC001239267761	779494265	/nfs/dbraw/zinc/49/42/65/779494265.db2.gz	XOPOMPMVMYBMIF-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239332792	779521771	/nfs/dbraw/zinc/52/17/71/779521771.db2.gz	SCCWOSUJBLDODE-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001239333434	779522887	/nfs/dbraw/zinc/52/28/87/779522887.db2.gz	OYFIWZYUUJFIMU-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1c(F)cncc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239351184	779531972	/nfs/dbraw/zinc/53/19/72/779531972.db2.gz	AXUXPFFXDKWLPO-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1nc(-c2cccc(/C=C/C(=O)[O-])c2)c(F)cc1C#N	ZINC001240547804	780241551	/nfs/dbraw/zinc/24/15/51/780241551.db2.gz	YLOOXDDASPRIQF-AATRIKPKSA-N	-1	0	298.273	2.866	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nccc(C#N)c1C	ZINC001240734388	780402097	/nfs/dbraw/zinc/40/20/97/780402097.db2.gz	YJNMTMOPXPPFEC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C#N)cc1C#N	ZINC001240737034	780404077	/nfs/dbraw/zinc/40/40/77/780404077.db2.gz	ORAZLAXGGMTLNN-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])s1)CCC2	ZINC001240843859	780469978	/nfs/dbraw/zinc/46/99/78/780469978.db2.gz	KUUHVUFKKBNSIH-UHFFFAOYSA-N	-1	0	270.313	2.869	20	30		CFEDRM
Cc1cnc(-c2ccc(CC(=O)[O-])cc2)cc1C#N	ZINC001240974491	780563640	/nfs/dbraw/zinc/56/36/40/780563640.db2.gz	RIYCSXNBEGYEPY-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240976078	780564861	/nfs/dbraw/zinc/56/48/61/780564861.db2.gz	HIIBYBMQDBNWKN-UHFFFAOYSA-N	-1	0	270.263	2.581	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc(C#N)ccc1C	ZINC001240999240	780582545	/nfs/dbraw/zinc/58/25/45/780582545.db2.gz	JXWRPDPZJOMGHF-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1c(F)cc([O-])cc1F	ZINC001241120325	780648437	/nfs/dbraw/zinc/64/84/37/780648437.db2.gz	ZSAIXUXSNJEVOH-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)cnc1F	ZINC001241186451	780691373	/nfs/dbraw/zinc/69/13/73/780691373.db2.gz	NMIQJXFIOSWJBJ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1ncc(-c2ccc(F)c(C(=O)[O-])c2)cc1F	ZINC001241245315	780730390	/nfs/dbraw/zinc/73/03/90/780730390.db2.gz	KVFINLWPENMFOC-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ccc(-c2ccc(F)c(C(=O)[O-])c2)cn1	ZINC001241246092	780730981	/nfs/dbraw/zinc/73/09/81/780730981.db2.gz	VLDVKBSACOFCOI-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C2=C(C(=O)[O-])CCCC2)C1	ZINC000703689780	781047698	/nfs/dbraw/zinc/04/76/98/781047698.db2.gz	YGINTLWKSVLYNK-LBPRGKRZSA-N	-1	0	277.364	2.756	20	30		CFEDRM
N#Cc1cnc(-c2cncc(C(=O)[O-])c2)c2ccccc12	ZINC001241798502	781130493	/nfs/dbraw/zinc/13/04/93/781130493.db2.gz	VTCZABPUOHWDTP-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COc1ccc(-c2cncc(C(=O)[O-])c2)cc1CC#N	ZINC001241801213	781132527	/nfs/dbraw/zinc/13/25/27/781132527.db2.gz	CDHXEZVWGCMZML-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2ccc3[nH]c(C#N)cc3n2)cc1C(=O)[O-]	ZINC001241855922	781155560	/nfs/dbraw/zinc/15/55/60/781155560.db2.gz	JDCQUMKXQQWKEP-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(-c2ccnc3[nH]cc(C#N)c32)cc1C(=O)[O-]	ZINC001241874456	781162188	/nfs/dbraw/zinc/16/21/88/781162188.db2.gz	GDVFQOVLGLPNFF-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
N#Cc1cc(-c2ccc(F)cc2[O-])nc(C2CC2)n1	ZINC001242217049	781332711	/nfs/dbraw/zinc/33/27/11/781332711.db2.gz	JPCTWYDPZDSDDI-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1cccc(CC(=O)[O-])c1	ZINC001242261436	781346754	/nfs/dbraw/zinc/34/67/54/781346754.db2.gz	GMLGFRUJUPQQNN-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
CCc1nnc(-c2cccc(CC(=O)[O-])c2)c(C#N)c1CC	ZINC001242262046	781347071	/nfs/dbraw/zinc/34/70/71/781347071.db2.gz	DIBKSVCMQDXEGU-UHFFFAOYSA-N	-1	0	295.342	2.767	20	30		CFEDRM
N#CCc1cc(-c2cccc(CC(=O)[O-])c2)ccc1C#N	ZINC001242262139	781347184	/nfs/dbraw/zinc/34/71/84/781347184.db2.gz	IVXCLAZBPHQUOI-UHFFFAOYSA-N	-1	0	276.295	2.918	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(CC(=O)[O-])c2)cc1C#N	ZINC001242263569	781348802	/nfs/dbraw/zinc/34/88/02/781348802.db2.gz	IIGFYTCVNOFHJS-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](CC)C(C)(C)C	ZINC000711086953	781355500	/nfs/dbraw/zinc/35/55/00/781355500.db2.gz	LIADMYHHFUKZCI-LLVKDONJSA-N	-1	0	255.358	2.548	20	30		CFEDRM
CC(C)c1ccc(C#N)c(-c2ccc(C(=O)[O-])nc2)n1	ZINC001242332967	781403614	/nfs/dbraw/zinc/40/36/14/781403614.db2.gz	ABSCGICUOKWXFL-UHFFFAOYSA-N	-1	0	267.288	2.837	20	30		CFEDRM
COc1cc(-c2ccc(C(=O)[O-])nc2)ccc1CC#N	ZINC001242336014	781406602	/nfs/dbraw/zinc/40/66/02/781406602.db2.gz	WTWQOZCYMHJXQB-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#CCc1cc(F)ccc1-c1ccc(C(=O)[O-])nc1	ZINC001242336653	781407369	/nfs/dbraw/zinc/40/73/69/781407369.db2.gz	DVROVCWVFQSQNI-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
CCOC(=O)c1cnc(-c2cccc(F)c2[O-])c(C#N)c1	ZINC001242350634	781422421	/nfs/dbraw/zinc/42/24/21/781422421.db2.gz	HSQQVOXUXCGIEC-UHFFFAOYSA-N	-1	0	286.262	2.642	20	30		CFEDRM
O=C([O-])c1cccc(-c2cccc(/C=N/O)c2)c1F	ZINC001242380049	781449476	/nfs/dbraw/zinc/44/94/76/781449476.db2.gz	FBBLLGNXUXRYHA-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)nc(C2CC2)n1	ZINC001242389826	781459327	/nfs/dbraw/zinc/45/93/27/781459327.db2.gz	LKCZPXKIOAXKAK-UHFFFAOYSA-N	-1	0	295.298	2.599	20	30		CFEDRM
N#Cc1cc(-c2ncc(-c3cccnc3)cn2)ccc1[O-]	ZINC001242562993	781601231	/nfs/dbraw/zinc/60/12/31/781601231.db2.gz	MWZOIJFUVGFRIK-UHFFFAOYSA-N	-1	0	274.283	2.783	20	30		CFEDRM
[O-]N=Cc1ccccc1-c1cnc(C(F)(F)F)nc1	ZINC001242663613	781681568	/nfs/dbraw/zinc/68/15/68/781681568.db2.gz	KTRIHYPMNRIEHE-UHFFFAOYSA-N	-1	0	267.210	2.971	20	30		CFEDRM
Cc1cc(-c2cnc(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001242768157	781751597	/nfs/dbraw/zinc/75/15/97/781751597.db2.gz	SBBFMKKBUAHJOK-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CC(=NN[C@@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001119307720	781759330	/nfs/dbraw/zinc/75/93/30/781759330.db2.gz	ZRPMLLJLSOTSOG-SNVBAGLBSA-N	-1	0	295.364	2.510	20	30		CFEDRM
Cc1c(C#N)c(NC[C@H](C(=O)[O-])C(C)C)nc2ccccc12	ZINC000594540918	349444291	/nfs/dbraw/zinc/44/42/91/349444291.db2.gz	LTSXZMYJNOZOIH-AWEZNQCLSA-N	-1	0	297.358	2.606	20	30		CFEDRM
N#CC1(CNC(=O)c2cccc(C(=O)[O-])c2)CCCCC1	ZINC000594750456	349486968	/nfs/dbraw/zinc/48/69/68/349486968.db2.gz	ZRFCHXHEXPBRIU-UHFFFAOYSA-N	-1	0	286.331	2.589	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000595280521	349590194	/nfs/dbraw/zinc/59/01/94/349590194.db2.gz	JNDHXYNWCHAPLI-PHIMTYICSA-N	-1	0	288.303	2.980	20	30		CFEDRM
C=CCCSCCNC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000595244972	349586442	/nfs/dbraw/zinc/58/64/42/349586442.db2.gz	OWWDFCHICVSLEO-UHFFFAOYSA-N	-1	0	293.388	2.732	20	30		CFEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)CCCC1	ZINC000069579646	346895967	/nfs/dbraw/zinc/89/59/67/346895967.db2.gz	MVRLYMRCKVCQFA-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
N#Cc1cc(NCCCCC(=O)[O-])nc2ccccc12	ZINC000070200395	346907958	/nfs/dbraw/zinc/90/79/58/346907958.db2.gz	IFRJNXYBZUPVBH-UHFFFAOYSA-N	-1	0	269.304	2.773	20	30		CFEDRM
CC(C)C[C@@H](CNc1nc2ncccc2cc1C#N)C(=O)[O-]	ZINC000595969963	349773187	/nfs/dbraw/zinc/77/31/87/349773187.db2.gz	SDCAGPKNCMBKDE-ZDUSSCGKSA-N	-1	0	298.346	2.660	20	30		CFEDRM
N#Cc1cnc(NCC2(C(=O)[O-])CCCC2)c(Cl)c1	ZINC000595974707	349773594	/nfs/dbraw/zinc/77/35/94/349773594.db2.gz	ZWQJAQWRKYNFIR-UHFFFAOYSA-N	-1	0	279.727	2.664	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000595977468	349773624	/nfs/dbraw/zinc/77/36/24/349773624.db2.gz	KHSBJJHDSBQGJJ-GFCCVEGCSA-N	-1	0	262.284	2.610	20	30		CFEDRM
N#CC1(CNc2ccc(C(=O)[O-])cn2)CCCCC1	ZINC000595972918	349773802	/nfs/dbraw/zinc/77/38/02/349773802.db2.gz	BNANKTJVXPMLSN-UHFFFAOYSA-N	-1	0	259.309	2.666	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cc(C#N)nc2ccccc21	ZINC000595972460	349773931	/nfs/dbraw/zinc/77/39/31/349773931.db2.gz	CIDQDBLZSDZBJK-NEPJUHHUSA-N	-1	0	295.342	2.796	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1(C#N)CCCCC1	ZINC000595988374	349774702	/nfs/dbraw/zinc/77/47/02/349774702.db2.gz	IEIABGYPCNYOJE-OLZOCXBDSA-N	-1	0	292.379	2.562	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000160165706	232247385	/nfs/dbraw/zinc/24/73/85/232247385.db2.gz	IBLQPCXOIFJALV-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)n1C	ZINC000041543003	346352474	/nfs/dbraw/zinc/35/24/74/346352474.db2.gz	MEPDMKLKAOPFTD-NSHDSACASA-N	-1	0	279.299	2.965	20	30		CFEDRM
CCc1ncncc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000054736727	346575767	/nfs/dbraw/zinc/57/57/67/346575767.db2.gz	BCJQTGMTICGWNQ-JTQLQIEISA-N	-1	0	292.298	2.670	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1	ZINC000076756113	347152070	/nfs/dbraw/zinc/15/20/70/347152070.db2.gz	IHVSRPREUSMXRB-RMKNXTFCSA-N	-1	0	265.334	2.606	20	30		CFEDRM
CC(C)[C@@H](CNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000087506538	347495887	/nfs/dbraw/zinc/49/58/87/347495887.db2.gz	IASBKZCXJBQENJ-CYBMUJFWSA-N	-1	0	283.331	2.875	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000089285145	347515337	/nfs/dbraw/zinc/51/53/37/347515337.db2.gz	LCTQBVWDAHNWKF-DTWKUNHWSA-N	-1	0	299.314	2.827	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000089285149	347515437	/nfs/dbraw/zinc/51/54/37/347515437.db2.gz	ZFVQAEBJPKIGBO-DTWKUNHWSA-N	-1	0	299.314	2.827	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1NC1(CC(=O)[O-])CCC1	ZINC000094334727	347695618	/nfs/dbraw/zinc/69/56/18/347695618.db2.gz	SSZHBMCDFFWLFA-UHFFFAOYSA-N	-1	0	299.252	2.781	20	30		CFEDRM
C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000302557679	348373619	/nfs/dbraw/zinc/37/36/19/348373619.db2.gz	XHUKWWVPTOFCSE-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1C(=O)[O-]	ZINC000311586717	348413893	/nfs/dbraw/zinc/41/38/93/348413893.db2.gz	WNZPVNSWTXCRHF-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@H](CCC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000273418534	192144160	/nfs/dbraw/zinc/14/41/60/192144160.db2.gz	IYBVDRQTRUHQRQ-SECBINFHSA-N	-1	0	273.340	2.554	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)c1cccc(Br)c1[O-]	ZINC000531560882	348649346	/nfs/dbraw/zinc/64/93/46/348649346.db2.gz	WGRQPIGGWIWVDC-MRVPVSSYSA-N	-1	0	297.152	2.529	20	30		CFEDRM
C=C[C@H](CC(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000535449497	348650472	/nfs/dbraw/zinc/65/04/72/348650472.db2.gz	FOFAOBRHPKIXRT-CQSZACIVSA-N	-1	0	281.359	2.814	20	30		CFEDRM
N#CC1CCC(CN=c2[n-]c(C(F)(F)F)ns2)CC1	ZINC000588041265	348768896	/nfs/dbraw/zinc/76/88/96/348768896.db2.gz	CUNIZIOLZXFIKX-UHFFFAOYSA-N	-1	0	290.314	2.721	20	30		CFEDRM
CC(C)(C)c1nc(=NC(=O)CCCCCC#N)s[n-]1	ZINC000588343391	348784619	/nfs/dbraw/zinc/78/46/19/348784619.db2.gz	BHOIYMCXIXNNFH-UHFFFAOYSA-N	-1	0	280.397	2.670	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C#N	ZINC000585818416	348746313	/nfs/dbraw/zinc/74/63/13/348746313.db2.gz	OKLGDODGQLITFJ-ZJUUUORDSA-N	-1	0	290.344	2.534	20	30		CFEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1	ZINC000589554937	348838851	/nfs/dbraw/zinc/83/88/51/348838851.db2.gz	QNJQVNMYRJDWSP-UHFFFAOYSA-N	-1	0	299.355	2.631	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000126606899	539683993	/nfs/dbraw/zinc/68/39/93/539683993.db2.gz	XDBSDJQBRQBWSR-JTQLQIEISA-N	-1	0	288.376	2.973	20	30		CFEDRM
N#CC1(CC(=O)Nc2cc(Cl)c([O-])cc2F)CC1	ZINC000590377263	348897378	/nfs/dbraw/zinc/89/73/78/348897378.db2.gz	DBRZGKDDJCZGPN-UHFFFAOYSA-N	-1	0	268.675	2.817	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N2CCC[C@H](C(=O)[O-])C2)n1	ZINC000591325298	349009087	/nfs/dbraw/zinc/00/90/87/349009087.db2.gz	NUKZNKZZZGNJAK-LBPRGKRZSA-N	-1	0	287.363	2.552	20	30		CFEDRM
CC(C)[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591325156	349009523	/nfs/dbraw/zinc/00/95/23/349009523.db2.gz	QWXUKOQDQYFCFU-GFCCVEGCSA-N	-1	0	275.352	2.772	20	30		CFEDRM
CC(C)[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591325162	349009561	/nfs/dbraw/zinc/00/95/61/349009561.db2.gz	QWXUKOQDQYFCFU-LBPRGKRZSA-N	-1	0	275.352	2.772	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(NCCCC(=O)[O-])n1	ZINC000591326614	349010391	/nfs/dbraw/zinc/01/03/91/349010391.db2.gz	XEMVLUVKVLTDSA-UHFFFAOYSA-N	-1	0	261.325	2.527	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc2cc(F)ccc2s1	ZINC000592975750	349179746	/nfs/dbraw/zinc/17/97/46/349179746.db2.gz	OTQSYKIBVDRTNW-MRVPVSSYSA-N	-1	0	287.275	2.913	20	30		CFEDRM
CC(=Cc1cccc2c1CCC2)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000593165658	349221945	/nfs/dbraw/zinc/22/19/45/349221945.db2.gz	RUEBWYOFMAFWAS-LUAWRHEFSA-N	-1	0	291.354	2.999	20	30		CFEDRM
N#Cc1ccc2nc(NC3(CC(=O)[O-])CCC3)ccc2c1	ZINC000593327441	349248378	/nfs/dbraw/zinc/24/83/78/349248378.db2.gz	NBOQAUNOHZAWKI-UHFFFAOYSA-N	-1	0	281.315	2.916	20	30		CFEDRM
CC(C)(C#N)c1ccc(CN=c2[n-]c(C3CC3)no2)cc1	ZINC000593945401	349337958	/nfs/dbraw/zinc/33/79/58/349337958.db2.gz	LFYMLXRDQLJUMF-UHFFFAOYSA-N	-1	0	282.347	2.782	20	30		CFEDRM
C=CCCSCCNC(=O)c1ccc(F)cc1[O-]	ZINC000597967914	350164327	/nfs/dbraw/zinc/16/43/27/350164327.db2.gz	BDCOXXJYPONUEY-UHFFFAOYSA-N	-1	0	269.341	2.570	20	30		CFEDRM
N#CCC1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000598030146	350179111	/nfs/dbraw/zinc/17/91/11/350179111.db2.gz	MKCGDUFISIIBME-UHFFFAOYSA-N	-1	0	285.130	2.685	20	30		CFEDRM
CC[C@H](C)CCNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000597974582	350168461	/nfs/dbraw/zinc/16/84/61/350168461.db2.gz	AABABNGVBSFGNZ-VIFPVBQESA-N	-1	0	293.392	2.547	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1cc(Cl)ccc1O)C1CC1	ZINC000598125225	350201596	/nfs/dbraw/zinc/20/15/96/350201596.db2.gz	HJPZQRFZGWXEGS-QMMMGPOBSA-N	-1	0	264.712	2.562	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC1	ZINC000598132636	350206245	/nfs/dbraw/zinc/20/62/45/350206245.db2.gz	JSALIZCORWOLNC-SSDOTTSWSA-N	-1	0	282.702	2.701	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1C#N	ZINC000598700048	350312669	/nfs/dbraw/zinc/31/26/69/350312669.db2.gz	MODDERZQDIPMNA-JOCQHMNTSA-N	-1	0	286.379	2.557	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(C3CCCC3)c2)c1C#N	ZINC000598702538	350313391	/nfs/dbraw/zinc/31/33/91/350313391.db2.gz	ZZOACTSYINSWNB-UHFFFAOYSA-N	-1	0	294.358	2.922	20	30		CFEDRM
Cn1cc(C#N)c(=NC(=O)C2CC(C)(C)CC(C)(C)C2)[n-]1	ZINC000598817403	350333931	/nfs/dbraw/zinc/33/39/31/350333931.db2.gz	SMPBHIJTQIWIQS-UHFFFAOYSA-N	-1	0	288.395	2.505	20	30		CFEDRM
Cc1[n-]n([C@@H](C)COc2ccccc2)c(=O)c1CCC#N	ZINC000601947205	350814504	/nfs/dbraw/zinc/81/45/04/350814504.db2.gz	SPMPDPRXDSIKMF-WFASDCNBSA-N	-1	0	285.347	2.592	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)cc1Cl	ZINC000601947962	350815073	/nfs/dbraw/zinc/81/50/73/350815073.db2.gz	HCWNOKKJELXRQY-SNVBAGLBSA-N	-1	0	291.763	2.667	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])CCCC1	ZINC000601990761	350824491	/nfs/dbraw/zinc/82/44/91/350824491.db2.gz	FYSBIPKQUMCRFZ-NEPJUHHUSA-N	-1	0	299.436	2.834	20	30		CFEDRM
Cc1[n-]n(-c2cccc(F)c2F)c(=O)c1CCC#N	ZINC000601950079	350817014	/nfs/dbraw/zinc/81/70/14/350817014.db2.gz	UBPUBKWNQRVMJT-SECBINFHSA-N	-1	0	263.247	2.607	20	30		CFEDRM
CCc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1C	ZINC000601950050	350817136	/nfs/dbraw/zinc/81/71/36/350817136.db2.gz	SXDWTUDPXXVYTO-MRVPVSSYSA-N	-1	0	261.712	2.960	20	30		CFEDRM
Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1CCC#N	ZINC000601942586	350812057	/nfs/dbraw/zinc/81/20/57/350812057.db2.gz	LDUGALGTHRJVLH-JTQLQIEISA-N	-1	0	296.252	2.743	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000602007416	350828724	/nfs/dbraw/zinc/82/87/24/350828724.db2.gz	OJOBXWNKCUVKDA-LOWDOPEQSA-N	-1	0	299.436	2.832	20	30		CFEDRM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000603924126	351192022	/nfs/dbraw/zinc/19/20/22/351192022.db2.gz	ZLYTUKXNMDRWSL-GFCCVEGCSA-N	-1	0	261.712	2.982	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCC(C)(C)CC#N)o1	ZINC000603391610	351154499	/nfs/dbraw/zinc/15/44/99/351154499.db2.gz	FCHVUVWBNLSNNU-UHFFFAOYSA-N	-1	0	250.346	2.531	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(CC2CCCC2)o1	ZINC000291937652	198111498	/nfs/dbraw/zinc/11/14/98/198111498.db2.gz	XRRWAFZRIATFTC-UHFFFAOYSA-N	-1	0	299.396	2.510	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)NC2(c3ccccc3F)CC2)c1	ZINC000614369838	352086129	/nfs/dbraw/zinc/08/61/29/352086129.db2.gz	BFJLXAZPXYPAKE-UHFFFAOYSA-N	-1	0	296.301	2.822	20	30		CFEDRM
CCN(C(=O)c1cc(O)cc(C#N)c1)c1nc(C)cs1	ZINC000614370531	352086235	/nfs/dbraw/zinc/08/62/35/352086235.db2.gz	MBAZIGQYDDXZCS-UHFFFAOYSA-N	-1	0	287.344	2.696	20	30		CFEDRM
C=C[C@](C)(O)C(=O)Nc1ccc(C(C)(C)C)cc1O	ZINC000614488483	352099352	/nfs/dbraw/zinc/09/93/52/352099352.db2.gz	MNDLXDVFIIVCOP-HNNXBMFYSA-N	-1	0	263.337	2.565	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000621568526	353379472	/nfs/dbraw/zinc/37/94/72/353379472.db2.gz	YPEBHHYMOGTHQB-CYBMUJFWSA-N	-1	0	265.353	2.611	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000621617460	353384785	/nfs/dbraw/zinc/38/47/85/353384785.db2.gz	YLBUWMYKLSJXNJ-XEZPLFJOSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC(C)(C)CNS(=O)(=O)c1cccs1	ZINC000292668856	198369294	/nfs/dbraw/zinc/36/92/94/198369294.db2.gz	JRAKTPIVSYOFAL-UHFFFAOYSA-N	-1	0	259.396	2.629	20	30		CFEDRM
C=CCn1c(S[C@H]2CCCC[C@H]2C)n[nH]c1=O	ZINC000629162729	354762420	/nfs/dbraw/zinc/76/24/20/354762420.db2.gz	ZVAHNPNACVNZLG-ZJUUUORDSA-N	-1	0	253.371	2.841	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000630288468	355038926	/nfs/dbraw/zinc/03/89/26/355038926.db2.gz	DYFQIBGQSYTQOU-CYBMUJFWSA-N	-1	0	261.321	2.778	20	30		CFEDRM
C=CCC1(CNC(=O)C[C@H](C)CC(=O)[O-])CCCC1	ZINC000630291290	355040306	/nfs/dbraw/zinc/04/03/06/355040306.db2.gz	ACBQFOSQEUJEGT-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCC1(CNC(=O)c2ccc(C(=O)[O-])cn2)CCCC1	ZINC000630292317	355041156	/nfs/dbraw/zinc/04/11/56/355041156.db2.gz	MAFDOLGDRQLJAT-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630181685	355024337	/nfs/dbraw/zinc/02/43/37/355024337.db2.gz	LABBMESNUBJZAU-QWHCGFSZSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630302549	355046467	/nfs/dbraw/zinc/04/64/67/355046467.db2.gz	XSPBBSZCMXXNFL-RUXDESIVSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CCc1ccccc1C(=O)[O-]	ZINC000630301871	355046822	/nfs/dbraw/zinc/04/68/22/355046822.db2.gz	RBFGQHHUSVNXPP-CQSZACIVSA-N	-1	0	287.359	2.885	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630317846	355049499	/nfs/dbraw/zinc/04/94/99/355049499.db2.gz	BPSPRKHEXVOFMZ-KGLIPLIRSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-]	ZINC000630317214	355049662	/nfs/dbraw/zinc/04/96/62/355049662.db2.gz	MTULVQWFTNJCDS-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000630319656	355049974	/nfs/dbraw/zinc/04/99/74/355049974.db2.gz	FFSHDQWETRNYJU-MFKMUULPSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000630320023	355050220	/nfs/dbraw/zinc/05/02/20/355050220.db2.gz	NDLQCTVRQWFVSA-JHJVBQTASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)[O-]	ZINC000630321446	355050724	/nfs/dbraw/zinc/05/07/24/355050724.db2.gz	JGHQUSDTXACGOB-ZDUSSCGKSA-N	-1	0	290.363	2.528	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CC(=C)C)C(=O)[O-])c1ccccc1	ZINC000630320297	355050762	/nfs/dbraw/zinc/05/07/62/355050762.db2.gz	SLZYKTREUYUBCG-HIFRSBDPSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC000630545358	355108074	/nfs/dbraw/zinc/10/80/74/355108074.db2.gz	MJWBBJIAZQVSMK-GFCCVEGCSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(OCC)cc1)C(=O)[O-]	ZINC000630545577	355108266	/nfs/dbraw/zinc/10/82/66/355108266.db2.gz	QTHQWZNBKMHWLN-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000630551600	355110266	/nfs/dbraw/zinc/11/02/66/355110266.db2.gz	XDBFFOBPOYXSAG-SNVBAGLBSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000630951547	355225945	/nfs/dbraw/zinc/22/59/45/355225945.db2.gz	LSOHFTOBGAYOAE-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1sccc1C1CC1	ZINC000329321921	202280087	/nfs/dbraw/zinc/28/00/87/202280087.db2.gz	UPXYWZQTXFKUAR-UHFFFAOYSA-N	-1	0	298.371	2.772	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1	ZINC000683307484	540750611	/nfs/dbraw/zinc/75/06/11/540750611.db2.gz	KLSFHFCAQQRWOU-IUODEOHRSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1	ZINC000683305440	540750745	/nfs/dbraw/zinc/75/07/45/540750745.db2.gz	HBOJRJKBCFVWPP-CQSZACIVSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1	ZINC000179081206	189167601	/nfs/dbraw/zinc/16/76/01/189167601.db2.gz	HXPSXLXTBBHZNU-CYBMUJFWSA-N	-1	0	261.321	2.675	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1	ZINC000263545400	383680834	/nfs/dbraw/zinc/68/08/34/383680834.db2.gz	TVGIFJUZCKEYCE-VIFPVBQESA-N	-1	0	267.350	2.921	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(F)c([O-])c3)c1-2	ZINC001243046379	781949716	/nfs/dbraw/zinc/94/97/16/781949716.db2.gz	DZKSCYBARHBRHV-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
Cc1nc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2[nH]1	ZINC000442616250	240970827	/nfs/dbraw/zinc/97/08/27/240970827.db2.gz	LUOTXHADOWBNFS-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
CCc1n[n-]c(=NCc2ccc(C#N)cc2C(F)(F)F)o1	ZINC000453050065	243376770	/nfs/dbraw/zinc/37/67/70/243376770.db2.gz	FXPNWYLXTRFTMV-UHFFFAOYSA-N	-1	0	296.252	2.556	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000013094515	372013198	/nfs/dbraw/zinc/01/31/98/372013198.db2.gz	ZFUOVAYQUFVNMZ-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)C1CCCCC1	ZINC000046708534	373061213	/nfs/dbraw/zinc/06/12/13/373061213.db2.gz	CRIVGSJEGAYBAD-UHFFFAOYSA-N	-1	0	267.350	2.912	20	30		CFEDRM
C[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000054334859	373520174	/nfs/dbraw/zinc/52/01/74/373520174.db2.gz	DFROCYJJAJVZLS-ZETCQYMHSA-N	-1	0	272.226	2.710	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C)c2C(F)F)n1	ZINC000067600423	373986895	/nfs/dbraw/zinc/98/68/95/373986895.db2.gz	FMIDQXIUBJTUMA-ZETCQYMHSA-N	-1	0	296.302	2.613	20	30		CFEDRM
C[C@@H]1C[C@H](CC(=O)[N-]S(C)(=O)=O)CC(C)(C)C1	ZINC000067600060	373986931	/nfs/dbraw/zinc/98/69/31/373986931.db2.gz	GRPPBELDCHOOAW-NXEZZACHSA-N	-1	0	261.387	2.755	20	30		CFEDRM
Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc(C#N)[nH]1	ZINC000334141188	206055451	/nfs/dbraw/zinc/05/54/51/206055451.db2.gz	DYYQAAWIDRGWSJ-UHFFFAOYSA-N	-1	0	297.362	2.571	20	30		CFEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccsc1	ZINC000090867511	375033238	/nfs/dbraw/zinc/03/32/38/375033238.db2.gz	SEOOZPRMFULADN-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000094703226	375374800	/nfs/dbraw/zinc/37/48/00/375374800.db2.gz	NXNQIDVNQSGRKZ-NSHDSACASA-N	-1	0	264.300	2.856	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000103870283	375759619	/nfs/dbraw/zinc/75/96/19/375759619.db2.gz	ZYCYQHNLZIIZEF-AWEZNQCLSA-N	-1	0	255.358	2.670	20	30		CFEDRM
COc1cc(CNc2cccc(C#N)c2)cc([N+](=O)[O-])c1[O-]	ZINC000132876470	377883692	/nfs/dbraw/zinc/88/36/92/377883692.db2.gz	SCDQJCBLCPHDDG-UHFFFAOYSA-N	-1	0	299.286	2.793	20	30		CFEDRM
Cc1cn2c(ncc(/C([O-])=N/CCC(C)(C)C)c2=O)s1	ZINC000330645665	378593028	/nfs/dbraw/zinc/59/30/28/378593028.db2.gz	YYYWDMNOLRCUEZ-UHFFFAOYSA-N	-1	0	293.392	2.805	20	30		CFEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCCCCC1)C1CC1	ZINC000162185195	378899661	/nfs/dbraw/zinc/89/96/61/378899661.db2.gz	UDQPWKSGSUFYDU-UHFFFAOYSA-N	-1	0	279.380	2.979	20	30		CFEDRM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000334238789	378967023	/nfs/dbraw/zinc/96/70/23/378967023.db2.gz	KEXLCWAGWPPFRT-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC(F)(F)C2)[n-]1	ZINC000334266919	379004540	/nfs/dbraw/zinc/00/45/40/379004540.db2.gz	ZLSXIUBATQELMG-JTQLQIEISA-N	-1	0	296.321	2.522	20	30		CFEDRM
CC(C)Oc1cccc(C(=O)C(C#N)c2ccccn2)n1	ZINC000167142292	379069012	/nfs/dbraw/zinc/06/90/12/379069012.db2.gz	SQOBUGDJEQOBSN-LBPRGKRZSA-N	-1	0	281.315	2.754	20	30		CFEDRM
C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C#N)c(O)c2)C1	ZINC000335524934	379451684	/nfs/dbraw/zinc/45/16/84/379451684.db2.gz	WEDZZYRPSLCVPS-ZWNOBZJWSA-N	-1	0	258.321	2.524	20	30		CFEDRM
Cn1cc(C#N)c(=NC(=O)c2ccc(C3=CCCC3)cc2)[n-]1	ZINC000334595907	379597016	/nfs/dbraw/zinc/59/70/16/379597016.db2.gz	IBCAWNPXVHVPGO-UHFFFAOYSA-N	-1	0	292.342	2.533	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)o1	ZINC000335725967	379790022	/nfs/dbraw/zinc/79/00/22/379790022.db2.gz	RIMPWFBLFJVOSJ-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000335735752	379804140	/nfs/dbraw/zinc/80/41/40/379804140.db2.gz	ARYCJYJCCDAHAT-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000264448823	383740352	/nfs/dbraw/zinc/74/03/52/383740352.db2.gz	DIDYVAYWVCVLPY-UHFFFAOYSA-N	-1	0	251.713	2.838	20	30		CFEDRM
C=C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1	ZINC000264459055	383742630	/nfs/dbraw/zinc/74/26/30/383742630.db2.gz	JTMLHSLADMPESI-UHFFFAOYSA-N	-1	0	261.350	2.549	20	30		CFEDRM
N#Cc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000176406086	380227181	/nfs/dbraw/zinc/22/71/81/380227181.db2.gz	HTXXJQZIFKXBPS-GQCTYLIASA-N	-1	0	281.296	2.755	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(C3(C)CC3)[n-]s2)CCC1	ZINC000529696263	383747615	/nfs/dbraw/zinc/74/76/15/383747615.db2.gz	ACZMKLDQYSTJBH-UHFFFAOYSA-N	-1	0	277.393	2.696	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2cnoc2C2CC2)s1	ZINC000358570479	380937655	/nfs/dbraw/zinc/93/76/55/380937655.db2.gz	NHKBMKLQRDKSPF-UHFFFAOYSA-N	-1	0	294.405	2.716	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000181939702	380941750	/nfs/dbraw/zinc/94/17/50/380941750.db2.gz	CBPNLTQFGFYNPI-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)o1	ZINC000182777387	381154631	/nfs/dbraw/zinc/15/46/31/381154631.db2.gz	PEWXPEHFHUWVEJ-UHFFFAOYSA-N	-1	0	290.344	2.763	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F	ZINC000183300079	381251962	/nfs/dbraw/zinc/25/19/62/381251962.db2.gz	VDRNADSAUAAHTI-VIFPVBQESA-N	-1	0	287.347	2.849	20	30		CFEDRM
N#CC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCCCC1	ZINC000183526717	381284486	/nfs/dbraw/zinc/28/44/86/381284486.db2.gz	HBLJXJKQWRJSHJ-UHFFFAOYSA-N	-1	0	280.274	2.627	20	30		CFEDRM
CC(C)n1nccc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000359527545	381451152	/nfs/dbraw/zinc/45/11/52/381451152.db2.gz	SKGMDRIUVFKQFE-GQCTYLIASA-N	-1	0	282.303	2.599	20	30		CFEDRM
CCOc1cc(C(=O)[N-]c2sc(CC)cc2C#N)on1	ZINC000298558826	381673662	/nfs/dbraw/zinc/67/36/62/381673662.db2.gz	MIYMTSQUQXLZNY-UHFFFAOYSA-N	-1	0	291.332	2.821	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc(CC(C)C)cc1	ZINC000291310407	381744774	/nfs/dbraw/zinc/74/47/74/381744774.db2.gz	RNNFLWWQNREJAF-ZDUSSCGKSA-N	-1	0	259.349	2.670	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1	ZINC000291322339	381748071	/nfs/dbraw/zinc/74/80/71/381748071.db2.gz	SXIVHQGJNWRUJO-CYBMUJFWSA-N	-1	0	275.348	2.567	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361531844	381839446	/nfs/dbraw/zinc/83/94/46/381839446.db2.gz	UNLOQBNNAVEWKR-AWEZNQCLSA-N	-1	0	290.326	2.767	20	30		CFEDRM
N#CC(=C([O-])c1coc2cc(F)ccc21)c1ccncn1	ZINC000361791993	381862856	/nfs/dbraw/zinc/86/28/56/381862856.db2.gz	HYLIJUCAPLTYPF-NSHDSACASA-N	-1	0	281.246	2.852	20	30		CFEDRM
C=CCCCC[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000351584381	382046167	/nfs/dbraw/zinc/04/61/67/382046167.db2.gz	WFOBSIJLJMMJTP-UHFFFAOYSA-N	-1	0	275.320	2.599	20	30		CFEDRM
C=CCC1(CN=c2[n-]c(C(=O)OCC)co2)CCCC1	ZINC000419006029	382213469	/nfs/dbraw/zinc/21/34/69/382213469.db2.gz	ZVWKOEIPXBNKHD-UHFFFAOYSA-N	-1	0	278.352	2.822	20	30		CFEDRM
C=CC(C)(C)CN=c1[n-]c(C(F)(F)F)ns1	ZINC000395425900	382630124	/nfs/dbraw/zinc/63/01/24/382630124.db2.gz	DQCULJHSWUWNKA-UHFFFAOYSA-N	-1	0	251.277	2.603	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000190548991	382672801	/nfs/dbraw/zinc/67/28/01/382672801.db2.gz	BJHJRKYXLPSTSB-DZGCQCFKSA-N	-1	0	287.359	2.812	20	30		CFEDRM
N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1ccccn1	ZINC000190832925	382681866	/nfs/dbraw/zinc/68/18/66/382681866.db2.gz	FBVFARLMBPIYFO-GFCCVEGCSA-N	-1	0	280.331	2.564	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1	ZINC000191137292	382692537	/nfs/dbraw/zinc/69/25/37/382692537.db2.gz	DEKGJSGALQMTGC-CQSZACIVSA-N	-1	0	274.324	2.914	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)s1	ZINC000230333500	382859753	/nfs/dbraw/zinc/85/97/53/382859753.db2.gz	XXWPSKXSQMXTJT-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SC[C@H]1CCCC(F)(F)C1	ZINC000337742523	382860449	/nfs/dbraw/zinc/86/04/49/382860449.db2.gz	DPWXSETYKQLRIF-VIFPVBQESA-N	-1	0	288.367	2.794	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)n(C)n2)n1	ZINC000442598288	382937828	/nfs/dbraw/zinc/93/78/28/382937828.db2.gz	CQMLRFASYAUPRO-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447801073	383008578	/nfs/dbraw/zinc/00/85/78/383008578.db2.gz	AXAPLRPPQUVSAE-OAHLLOKOSA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000448995914	383126164	/nfs/dbraw/zinc/12/61/64/383126164.db2.gz	RHIWYVPJPMTQGJ-JSGCOSHPSA-N	-1	0	275.348	2.634	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)co1	ZINC000555085723	383147329	/nfs/dbraw/zinc/14/73/29/383147329.db2.gz	VUUCYUBQRPRJHL-LLVKDONJSA-N	-1	0	284.319	2.524	20	30		CFEDRM
CC1(C)C[C@]1(C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000515071151	383157567	/nfs/dbraw/zinc/15/75/67/383157567.db2.gz	QUGIEQPCMYXCRQ-CYBMUJFWSA-N	-1	0	298.264	2.833	20	30		CFEDRM
C=CCCCCNC(=O)N(CCC)[C@H](CC)C(=O)[O-]	ZINC000515133296	383158643	/nfs/dbraw/zinc/15/86/43/383158643.db2.gz	XEHVXDVJUGBIBV-GFCCVEGCSA-N	-1	0	270.373	2.628	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ns1	ZINC000515766428	383161351	/nfs/dbraw/zinc/16/13/51/383161351.db2.gz	RKKVBMDNEWPZFR-VIFPVBQESA-N	-1	0	282.328	2.818	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(CCC)[C@@H](C)C(=O)[O-]	ZINC000562647684	383161359	/nfs/dbraw/zinc/16/13/59/383161359.db2.gz	HGJCORISWHJSCJ-NEPJUHHUSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=C1CCN(C(=O)[C@](C)(CC(=O)[O-])c2ccsc2)CC1	ZINC000634912141	383400906	/nfs/dbraw/zinc/40/09/06/383400906.db2.gz	TXPVTZZBTIZTBS-OAHLLOKOSA-N	-1	0	293.388	2.659	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634915715	383402543	/nfs/dbraw/zinc/40/25/43/383402543.db2.gz	DRFLLKHFCWILCR-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634927828	383408375	/nfs/dbraw/zinc/40/83/75/383408375.db2.gz	YTFVTYZDZIVFLJ-MQYQWHSLSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCC1	ZINC000634945686	383416383	/nfs/dbraw/zinc/41/63/83/383416383.db2.gz	XOMVGZHYTGLOQP-LBPRGKRZSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)C[C@@H](C(=O)[O-])c2ccccc2)C1	ZINC000634939028	383412700	/nfs/dbraw/zinc/41/27/00/383412700.db2.gz	YUHIXNHJKDDELG-UKRRQHHQSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C(C)CCNC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634839084	383374520	/nfs/dbraw/zinc/37/45/20/383374520.db2.gz	BCVUYIVJSDCTTC-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CCNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634839682	383375669	/nfs/dbraw/zinc/37/56/69/383375669.db2.gz	QIRPXFVIIJQZNQ-AWEZNQCLSA-N	-1	0	281.377	2.563	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(C)[n-]s2)CCCCC1	ZINC000449980347	383375834	/nfs/dbraw/zinc/37/58/34/383375834.db2.gz	IWVQJYJGKGEYNG-UHFFFAOYSA-N	-1	0	265.382	2.734	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000634864500	383386028	/nfs/dbraw/zinc/38/60/28/383386028.db2.gz	MXZICNKOJDTDMF-HUUCEWRRSA-N	-1	0	287.359	2.702	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634864783	383386125	/nfs/dbraw/zinc/38/61/25/383386125.db2.gz	VTVAUEOIMPMPLG-JKSUJKDBSA-N	-1	0	299.370	2.868	20	30		CFEDRM
CC(C)Cc1nc(=N[C@H]2CC[C@@H](CC#N)C2)s[n-]1	ZINC000450677295	383481499	/nfs/dbraw/zinc/48/14/99/383481499.db2.gz	YPVDOBQKQOQKDD-QWRGUYRKSA-N	-1	0	264.398	2.653	20	30		CFEDRM
C=CCC[C@H](NC(=O)CO[C@@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000569021977	383462685	/nfs/dbraw/zinc/46/26/85/383462685.db2.gz	PSEXWNNKDUUMOZ-MELADBBJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccs3)nc1-2	ZINC000429583794	383551248	/nfs/dbraw/zinc/55/12/48/383551248.db2.gz	CBKLDDUGLXFGRU-SECBINFHSA-N	-1	0	282.328	2.818	20	30		CFEDRM
C=C(C)CN(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1	ZINC000635313680	383530331	/nfs/dbraw/zinc/53/03/31/383530331.db2.gz	MZJOCQVVFNWRMT-UHFFFAOYSA-N	-1	0	299.374	2.697	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(C(=O)[O-])c(CC)o1	ZINC000261678780	383540169	/nfs/dbraw/zinc/54/01/69/383540169.db2.gz	QGHYCCBZUISZJN-UHFFFAOYSA-N	-1	0	265.309	2.578	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncnc2)s1	ZINC000430593043	383594778	/nfs/dbraw/zinc/59/47/78/383594778.db2.gz	RWLIODXWHTYMDU-JTQLQIEISA-N	-1	0	286.360	2.721	20	30		CFEDRM
C=CCCCCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000570462856	383606072	/nfs/dbraw/zinc/60/60/72/383606072.db2.gz	MHNACJGKJMHGMM-CYBMUJFWSA-N	-1	0	282.384	2.629	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(C#N)s2)n1	ZINC000572976567	383852121	/nfs/dbraw/zinc/85/21/21/383852121.db2.gz	SGRKMCRVEJJVRX-UHFFFAOYSA-N	-1	0	275.333	2.936	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000436632471	383859565	/nfs/dbraw/zinc/85/95/65/383859565.db2.gz	AJZBTZGHTULXSI-UHFFFAOYSA-N	-1	0	295.207	2.861	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436642622	383861756	/nfs/dbraw/zinc/86/17/56/383861756.db2.gz	BTTNPLQQIQOQKA-LLVKDONJSA-N	-1	0	291.347	2.905	20	30		CFEDRM
C=C(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1	ZINC000436733089	383886149	/nfs/dbraw/zinc/88/61/49/383886149.db2.gz	FVYFGTIOMMFYPO-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)oc1C	ZINC000532622825	384053866	/nfs/dbraw/zinc/05/38/66/384053866.db2.gz	DTGSTANGLKBZBX-LBPRGKRZSA-N	-1	0	269.304	2.793	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000279663325	384714088	/nfs/dbraw/zinc/71/40/88/384714088.db2.gz	CPUINWCIYNKDCG-NOZJJQNGSA-N	-1	0	281.739	2.965	20	30		CFEDRM
CSc1nc(=NC(=O)N2CC[C@@H]3CCC[C@H]32)s[n-]1	ZINC000330247283	533090173	/nfs/dbraw/zinc/09/01/73/533090173.db2.gz	LPQZHEIYBQGGRM-JGVFFNPUSA-N	-1	0	284.410	2.680	20	30		CFEDRM
CC(=O)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1	ZINC000681577523	542466268	/nfs/dbraw/zinc/46/62/68/542466268.db2.gz	DJRLIHUHCYVSPY-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
C=CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1	ZINC000116905221	260007906	/nfs/dbraw/zinc/00/79/06/260007906.db2.gz	TVRYMZAMWPNYOG-ZETCQYMHSA-N	-1	0	265.787	2.644	20	30		CFEDRM
C=C(C)CN(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000365568358	262370982	/nfs/dbraw/zinc/37/09/82/262370982.db2.gz	VFLUYHMCGDAYDO-UHFFFAOYSA-N	-1	0	294.405	2.728	20	30		CFEDRM
C[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(C#N)cc1	ZINC000341746015	130017146	/nfs/dbraw/zinc/01/71/46/130017146.db2.gz	ULGNURWQLHOEOJ-SECBINFHSA-N	-1	0	297.343	2.660	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000192861335	130555094	/nfs/dbraw/zinc/55/50/94/130555094.db2.gz	XZMQHMTXVVNCHA-AAEUAGOBSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000237573841	131042945	/nfs/dbraw/zinc/04/29/45/131042945.db2.gz	AZHBARQEVOMYTI-PMDBQALLSA-N	-1	0	289.331	2.704	20	30		CFEDRM
C=CCOCCCC(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000262059683	131187444	/nfs/dbraw/zinc/18/74/44/131187444.db2.gz	BMPKOFLCYJHYSA-UHFFFAOYSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000263303160	131289373	/nfs/dbraw/zinc/28/93/73/131289373.db2.gz	VBOCAQZPEYOMBG-GXTWGEPZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000263466095	131293954	/nfs/dbraw/zinc/29/39/54/131293954.db2.gz	QXIVRZTUTDMROT-UKRRQHHQSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CCN(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000263532090	131296576	/nfs/dbraw/zinc/29/65/76/131296576.db2.gz	MYPUJKLAEUIPDX-SNVBAGLBSA-N	-1	0	279.361	2.510	20	30		CFEDRM
CCCN(CC1CC1)C(=O)c1ccc(C#N)c(O)c1	ZINC000188218616	393562907	/nfs/dbraw/zinc/56/29/07/393562907.db2.gz	UFNYVBABMCHGSK-UHFFFAOYSA-N	-1	0	258.321	2.526	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000192858946	393633726	/nfs/dbraw/zinc/63/37/26/393633726.db2.gz	UWCBGWHSLCPPCW-SWLSCSKDSA-N	-1	0	287.359	2.627	20	30		CFEDRM
CCC(CC)(CNc1c(C#N)cccc1C#N)C(=O)[O-]	ZINC000424381781	393841514	/nfs/dbraw/zinc/84/15/14/393841514.db2.gz	ZOYCXADYKUWIDK-UHFFFAOYSA-N	-1	0	271.320	2.733	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1ccc2ccccc2n1	ZINC000684629972	542840365	/nfs/dbraw/zinc/84/03/65/542840365.db2.gz	MXHKOJHAJWGYAG-OAHLLOKOSA-N	-1	0	298.305	2.992	20	30		CFEDRM
CN(CCCC(=O)[O-])c1c(Cl)cccc1C#N	ZINC000416423878	393917636	/nfs/dbraw/zinc/91/76/36/393917636.db2.gz	YFZDUWFBWKJZMZ-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OCC(C)C	ZINC000416940266	393946060	/nfs/dbraw/zinc/94/60/60/393946060.db2.gz	ORNZUNUWQHPEEV-LBPRGKRZSA-N	-1	0	296.392	2.765	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(C#N)cc1C(F)(F)F	ZINC000416427974	393919492	/nfs/dbraw/zinc/91/94/92/393919492.db2.gz	SAPLIWPKKIKCEV-SSDOTTSWSA-N	-1	0	272.226	2.852	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@H](CCC(C)(C)C)C(=O)[O-])n1	ZINC000416443194	393920103	/nfs/dbraw/zinc/92/01/03/393920103.db2.gz	VJRVJOFOJHUYCX-GFCCVEGCSA-N	-1	0	275.352	2.953	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N3CCC[C@@H](C(=O)[O-])C3)c2c1	ZINC000263445499	393962504	/nfs/dbraw/zinc/96/25/04/393962504.db2.gz	YNOKOCDADFGCGS-GFCCVEGCSA-N	-1	0	295.342	2.716	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C#N)cc1F	ZINC000135059198	394209252	/nfs/dbraw/zinc/20/92/52/394209252.db2.gz	LEQDMIGUCMXMMG-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccsc2)c1C#N	ZINC000137542640	394239372	/nfs/dbraw/zinc/23/93/72/394239372.db2.gz	NQBCVUHJTLMGLU-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1c([O-])cc(F)cc1F	ZINC000684988142	542884312	/nfs/dbraw/zinc/88/43/12/542884312.db2.gz	QXHRMJGNGVTHET-SECBINFHSA-N	-1	0	255.264	2.755	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1C	ZINC000647373530	395317783	/nfs/dbraw/zinc/31/77/83/395317783.db2.gz	JTVOGKUVQBOYKW-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1C	ZINC000647373531	395319426	/nfs/dbraw/zinc/31/94/26/395319426.db2.gz	JTVOGKUVQBOYKW-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377707	395320619	/nfs/dbraw/zinc/32/06/19/395320619.db2.gz	FOWZSOJRONZXHL-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
N#CC(=C([O-])c1ccsn1)c1nc(C2CC2)cs1	ZINC000647380268	395320714	/nfs/dbraw/zinc/32/07/14/395320714.db2.gz	YQMSICGLNBBVTO-MRVPVSSYSA-N	-1	0	275.358	2.967	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1	ZINC000047359392	397585235	/nfs/dbraw/zinc/58/52/35/397585235.db2.gz	SZBHYYYKJXCSKJ-NSHDSACASA-N	-1	0	293.330	2.729	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1Nc1ncc(C(=O)[O-])cn1	ZINC000656781771	413220390	/nfs/dbraw/zinc/22/03/90/413220390.db2.gz	LSDXPENQKQIIQH-PWSUYJOCSA-N	-1	0	261.325	2.722	20	30		CFEDRM
CC1(C)CCC(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000408174039	157383442	/nfs/dbraw/zinc/38/34/42/157383442.db2.gz	PJHYEBFGSUMQPU-UHFFFAOYSA-N	-1	0	286.379	2.736	20	30		CFEDRM
N#Cc1nc(NC(=O)c2cccc3ccsc32)[n-]c1C#N	ZINC000345269651	162213265	/nfs/dbraw/zinc/21/32/65/162213265.db2.gz	YXLFMIHZQNMEGB-UHFFFAOYSA-N	-1	0	293.311	2.620	20	30		CFEDRM
N#Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000022174742	171369690	/nfs/dbraw/zinc/36/96/90/171369690.db2.gz	KULOLLPRGWBHOW-AWEZNQCLSA-N	-1	0	295.298	2.506	20	30		CFEDRM
CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000035411072	172182269	/nfs/dbraw/zinc/18/22/69/172182269.db2.gz	ZBQPIMGDQMFTGU-VIFPVBQESA-N	-1	0	272.226	2.852	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1	ZINC000651722010	413589970	/nfs/dbraw/zinc/58/99/70/413589970.db2.gz	NXDLEHFNQIAOHV-SECBINFHSA-N	-1	0	288.376	2.664	20	30		CFEDRM
N#Cc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1	ZINC000036890562	172784106	/nfs/dbraw/zinc/78/41/06/172784106.db2.gz	OXPODWBHFZCJRA-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
C=CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000654810387	414004660	/nfs/dbraw/zinc/00/46/60/414004660.db2.gz	GAQPHZVILZCXOF-CYBMUJFWSA-N	-1	0	294.326	2.607	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000654968827	414043337	/nfs/dbraw/zinc/04/33/37/414043337.db2.gz	MVKSWCIFORABDN-QMMMGPOBSA-N	-1	0	262.290	2.543	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1C#N	ZINC000037333811	173135941	/nfs/dbraw/zinc/13/59/41/173135941.db2.gz	PMPPOYYJPJHJQU-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000659174527	414461646	/nfs/dbraw/zinc/46/16/46/414461646.db2.gz	HJVDBYKCLXFVHW-RISCZKNCSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C(=O)[O-])c(C)s1	ZINC000659788208	414550957	/nfs/dbraw/zinc/55/09/57/414550957.db2.gz	ZCJYRCNVWCVWDM-AOOOYVTPSA-N	-1	0	264.350	2.837	20	30		CFEDRM
C=CCC1(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)CCCC1	ZINC000655880862	414487062	/nfs/dbraw/zinc/48/70/62/414487062.db2.gz	XWVQACUVXBNXRX-CYBMUJFWSA-N	-1	0	296.411	2.779	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876775	414487297	/nfs/dbraw/zinc/48/72/97/414487297.db2.gz	SSDGGGUOIKQGFR-ZDEQEGDKSA-N	-1	0	296.411	2.776	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCC1	ZINC000659409578	414516893	/nfs/dbraw/zinc/51/68/93/414516893.db2.gz	QFZUHQMAHHHYSR-ZDUSSCGKSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000659406952	414517358	/nfs/dbraw/zinc/51/73/58/414517358.db2.gz	UFVWNHYHGCCAIG-UHFFFAOYSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])CCCC1	ZINC000656487410	414591217	/nfs/dbraw/zinc/59/12/17/414591217.db2.gz	UCEVAANRIDPBQZ-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCNC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000656588376	414610834	/nfs/dbraw/zinc/61/08/34/414610834.db2.gz	KMHAUMQOULZJGC-KBPBESRZSA-N	-1	0	294.395	2.628	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@H](C(=O)[O-])C2CCC2)c1	ZINC000662902079	414632277	/nfs/dbraw/zinc/63/22/77/414632277.db2.gz	LHHFKNCHTJNOTG-AWEZNQCLSA-N	-1	0	286.331	2.674	20	30		CFEDRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1[O-]	ZINC000038876411	174158157	/nfs/dbraw/zinc/15/81/57/174158157.db2.gz	CNGCIBKBGQELBI-QPJJXVBHSA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1	ZINC000663125982	414653917	/nfs/dbraw/zinc/65/39/17/414653917.db2.gz	AVBVHUCFQVSFKF-JSGCOSHPSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1	ZINC000663127672	414654175	/nfs/dbraw/zinc/65/41/75/414654175.db2.gz	YRUDNURYOUCPID-BBRMVZONSA-N	-1	0	277.364	2.612	20	30		CFEDRM
C=CCCC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000660142921	414669062	/nfs/dbraw/zinc/66/90/62/414669062.db2.gz	HUOHQYXPCQEMRI-UHFFFAOYSA-N	-1	0	289.347	2.988	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000040547152	174325444	/nfs/dbraw/zinc/32/54/44/174325444.db2.gz	XQCVVDCBGOLDOX-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=C(Br)CN1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000043594336	175075540	/nfs/dbraw/zinc/07/55/40/175075540.db2.gz	CTRNNTDKOJLYDK-GFCCVEGCSA-N	-1	0	296.164	2.579	20	30		CFEDRM
C=C/C(=N\COC)c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243156485	782022517	/nfs/dbraw/zinc/02/25/17/782022517.db2.gz	UZXPBFMUQRWNNH-GZTJUZNOSA-N	-1	0	287.237	2.983	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243177250	782036854	/nfs/dbraw/zinc/03/68/54/782036854.db2.gz	GZDNXZMCTSIPRA-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)C1CC=CC1	ZINC000077942160	260298383	/nfs/dbraw/zinc/29/83/83/260298383.db2.gz	DQWDIPFHFOXALX-UHFFFAOYSA-N	-1	0	257.355	2.572	20	30		CFEDRM
C=C(CC)CNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000313501218	260299699	/nfs/dbraw/zinc/29/96/99/260299699.db2.gz	ROJYHZSNDILLTG-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000179394033	261417214	/nfs/dbraw/zinc/41/72/14/261417214.db2.gz	VVCMAFKVNDODAP-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000363947399	262049317	/nfs/dbraw/zinc/04/93/17/262049317.db2.gz	OVTBQROHQFLALR-MRVPVSSYSA-N	-1	0	294.405	2.775	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCO1	ZINC000271927193	263000464	/nfs/dbraw/zinc/00/04/64/263000464.db2.gz	JMLPNYHQPPCDPK-QKNJHCACSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC1(C#N)CCN(Cc2nc(=O)c3sccc3[n-]2)CC1	ZINC000272548165	263006433	/nfs/dbraw/zinc/00/64/33/263006433.db2.gz	KKTLCJFYQWASLK-UHFFFAOYSA-N	-1	0	288.376	2.523	20	30		CFEDRM
O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)F	ZINC000280271914	263060119	/nfs/dbraw/zinc/06/01/19/263060119.db2.gz	ONWSNTXRHXTHLM-SSDOTTSWSA-N	-1	0	289.150	2.950	20	30		CFEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000282897540	263079512	/nfs/dbraw/zinc/07/95/12/263079512.db2.gz	ANXLTIIKFTYXDQ-JMCQJSRRSA-N	-1	0	299.783	2.704	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCCSC2)c1	ZINC000287374723	263101984	/nfs/dbraw/zinc/10/19/84/263101984.db2.gz	ZLNXSAFZSPZHEY-CEITULEQSA-N	-1	0	280.349	2.863	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC/C=C/Cl	ZINC000291848745	263126047	/nfs/dbraw/zinc/12/60/47/263126047.db2.gz	NZMSKMYJXIVPQY-IOCXFXADSA-N	-1	0	276.764	2.758	20	30		CFEDRM
O=C(N[C@H]1CC=CCC1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330785263	264053341	/nfs/dbraw/zinc/05/33/41/264053341.db2.gz	TWKBJSJQGFRFPY-JTQLQIEISA-N	-1	0	262.265	2.714	20	30		CFEDRM
O=C(NCC1CCCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000331224875	264150027	/nfs/dbraw/zinc/15/00/27/264150027.db2.gz	BSGSFDODPKHNPO-UHFFFAOYSA-N	-1	0	264.281	2.795	20	30		CFEDRM
CC1(C)CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)O1	ZINC000331194933	264158868	/nfs/dbraw/zinc/15/88/68/264158868.db2.gz	RMGIALNWYWJXER-LBPRGKRZSA-N	-1	0	294.307	2.563	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000192913187	264597122	/nfs/dbraw/zinc/59/71/22/264597122.db2.gz	FUUGHIFZRFZQKX-STQMWFEESA-N	-1	0	267.369	2.692	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F	ZINC000334900064	265079347	/nfs/dbraw/zinc/07/93/47/265079347.db2.gz	VYSJXQSTBRDTSN-SSDOTTSWSA-N	-1	0	294.710	2.662	20	30		CFEDRM
CCC(CC)(CNc1cc(C)nc(C#N)c1)C(=O)[O-]	ZINC000308263673	266000868	/nfs/dbraw/zinc/00/08/68/266000868.db2.gz	QYQMWUBRMOZFJV-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000356294425	266090072	/nfs/dbraw/zinc/09/00/72/266090072.db2.gz	NFKZDFFPXVWMCD-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-]	ZINC000362537633	267004185	/nfs/dbraw/zinc/00/41/85/267004185.db2.gz	LOVOBEXFILZVPU-CYBMUJFWSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(SCC)s1	ZINC000362953284	267065715	/nfs/dbraw/zinc/06/57/15/267065715.db2.gz	YFGBHYPHVAHQEU-VIFPVBQESA-N	-1	0	298.437	2.644	20	30		CFEDRM
C=CCN(CC)C(=O)N=c1[n-]nc(-c2ccsc2)s1	ZINC000376790999	268018467	/nfs/dbraw/zinc/01/84/67/268018467.db2.gz	CPZAXNXAADPLOQ-UHFFFAOYSA-N	-1	0	294.405	2.728	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cnccc2CC#N)c1	ZINC001243179863	782041047	/nfs/dbraw/zinc/04/10/47/782041047.db2.gz	YSIHZWBJHZLSIB-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2nc3c(cc2C#N)COCC3)cc1C(=O)[O-]	ZINC001243194101	782053923	/nfs/dbraw/zinc/05/39/23/782053923.db2.gz	FMYXZOKUOQOQPL-UHFFFAOYSA-N	-1	0	294.310	2.700	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243195249	782055416	/nfs/dbraw/zinc/05/54/16/782055416.db2.gz	MSMKKURCOATMFZ-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(-c2nnc(C)c(C)c2C#N)cc1C(=O)[O-]	ZINC001243194477	782056032	/nfs/dbraw/zinc/05/60/32/782056032.db2.gz	AQCFMLDZUQQXQT-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
Cc1ccc(-c2cccc(CC#N)n2)cc1C(=O)[O-]	ZINC001243196204	782057536	/nfs/dbraw/zinc/05/75/36/782057536.db2.gz	RCTCMFGJWNRMGD-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2cnc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC001243197042	782057773	/nfs/dbraw/zinc/05/77/73/782057773.db2.gz	IOVSJSPNJNUVBI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2ccnc(C)c2C#N)cc1C(=O)[O-]	ZINC001243199381	782059250	/nfs/dbraw/zinc/05/92/50/782059250.db2.gz	QFQBOYQHFXZTLP-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(N(C)CCC(=O)[O-])c2c1	ZINC000263378962	301214010	/nfs/dbraw/zinc/21/40/10/301214010.db2.gz	CBHUXRIVPFTBKV-UHFFFAOYSA-N	-1	0	283.331	2.634	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000052856181	303180952	/nfs/dbraw/zinc/18/09/52/303180952.db2.gz	JEVOXRVHJBPAKG-SECBINFHSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000261827805	303189629	/nfs/dbraw/zinc/18/96/29/303189629.db2.gz	AAGKPHAVYVIIIF-JTQLQIEISA-N	-1	0	298.264	2.878	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])c(C)c2)ccc1C#N	ZINC001243212714	782072705	/nfs/dbraw/zinc/07/27/05/782072705.db2.gz	RAMHSZKYEBZJSI-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243217338	782077368	/nfs/dbraw/zinc/07/73/68/782077368.db2.gz	PBFQMUYMBYPTEE-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CN(Cc1cccc(C#N)c1)C(=O)c1c([O-])cccc1F	ZINC000163786326	322378752	/nfs/dbraw/zinc/37/87/52/322378752.db2.gz	UHLNMNUMTRHMSF-UHFFFAOYSA-N	-1	0	284.290	2.675	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1	ZINC000049417840	328361556	/nfs/dbraw/zinc/36/15/56/328361556.db2.gz	MSFRXEPJKQZJRX-VMPITWQZSA-N	-1	0	271.313	2.534	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)c(C)o1	ZINC000183139891	323903498	/nfs/dbraw/zinc/90/34/98/323903498.db2.gz	APZOFOJYFMOLPD-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
Cc1ccc(F)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188234463	324010891	/nfs/dbraw/zinc/01/08/91/324010891.db2.gz	DXPLAWIRZBIMFS-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1cccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188491651	324015629	/nfs/dbraw/zinc/01/56/29/324015629.db2.gz	AIXZTMPTLMJPAX-UHFFFAOYSA-N	-1	0	266.300	2.849	20	30		CFEDRM
N#Cc1ccc(C[S@](=O)c2ccc(O)cc2)cc1F	ZINC000191181813	324046236	/nfs/dbraw/zinc/04/62/36/324046236.db2.gz	CGUQOAXMVKDUNQ-IBGZPJMESA-N	-1	0	275.304	2.711	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](CCCC)C(=O)[O-]	ZINC000184959309	328543829	/nfs/dbraw/zinc/54/38/29/328543829.db2.gz	IMTVTQVGRAVIKW-LBPRGKRZSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000187550108	326829081	/nfs/dbraw/zinc/82/90/81/326829081.db2.gz	ZEORQBNPAMDUHL-RWMBFGLXSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000262813319	326956797	/nfs/dbraw/zinc/95/67/97/326956797.db2.gz	DONXAAPPKCKCQQ-NSHDSACASA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCCC[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000518540438	327172677	/nfs/dbraw/zinc/17/26/77/327172677.db2.gz	MZDSKRHEWRXPDE-SECBINFHSA-N	-1	0	293.323	2.575	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CCC2)c1	ZINC000042271914	327236569	/nfs/dbraw/zinc/23/65/69/327236569.db2.gz	HEOLEUFXURFOOG-UHFFFAOYSA-N	-1	0	267.350	2.749	20	30		CFEDRM
CC(C)[C@@](C)(CO)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000331206355	327386312	/nfs/dbraw/zinc/38/63/12/327386312.db2.gz	OXQZLWRCGKGTIZ-CYBMUJFWSA-N	-1	0	291.269	2.521	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000393758908	329089429	/nfs/dbraw/zinc/08/94/29/329089429.db2.gz	IPELJPVIAJRNON-ONGXEEELSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000393770195	329388254	/nfs/dbraw/zinc/38/82/54/329388254.db2.gz	XOQFAQVJXKKJNK-NSHDSACASA-N	-1	0	270.373	2.531	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190976846	329403998	/nfs/dbraw/zinc/40/39/98/329403998.db2.gz	MXTJZMSGNUUECO-SNVBAGLBSA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000398229457	329440432	/nfs/dbraw/zinc/44/04/32/329440432.db2.gz	RNENGCFDVCWEHA-NWDGAFQWSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCSCCN=c1nc(C2CCCC2)[n-]s1	ZINC000420586780	329778239	/nfs/dbraw/zinc/77/82/39/329778239.db2.gz	PLTLJADQIBQWQR-UHFFFAOYSA-N	-1	0	269.439	2.949	20	30		CFEDRM
C=CCOc1cccc(CN=c2ccc(OC(C)C)n[n-]2)c1	ZINC000571935144	329930275	/nfs/dbraw/zinc/93/02/75/329930275.db2.gz	JQRAJCRJSLUBFY-UHFFFAOYSA-N	-1	0	299.374	2.863	20	30		CFEDRM
N#CC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCC1	ZINC000572301600	329971155	/nfs/dbraw/zinc/97/11/55/329971155.db2.gz	JTBZSMDKDSLOAC-UHFFFAOYSA-N	-1	0	284.237	2.587	20	30		CFEDRM
C#CCN(C(=O)c1ccc(C(=O)[O-])cc1F)C1CCCC1	ZINC000262318706	330005728	/nfs/dbraw/zinc/00/57/28/330005728.db2.gz	CHZLVFVNSGYHLY-UHFFFAOYSA-N	-1	0	289.306	2.542	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)CC(C)C)C(=O)[O-]	ZINC000262811593	330033223	/nfs/dbraw/zinc/03/32/23/330033223.db2.gz	DKJOLIICUNXZEP-NSHDSACASA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000262865487	330032516	/nfs/dbraw/zinc/03/25/16/330032516.db2.gz	JDPBITUMOKPIJT-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1ccccc1C)C(=O)[O-]	ZINC000262821708	330034211	/nfs/dbraw/zinc/03/42/11/330034211.db2.gz	FCKGFFICXBGMSG-AWEZNQCLSA-N	-1	0	289.375	2.808	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000262887161	330036280	/nfs/dbraw/zinc/03/62/80/330036280.db2.gz	LCODLTHCLLMMIV-AWEZNQCLSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000262984007	330038020	/nfs/dbraw/zinc/03/80/20/330038020.db2.gz	UQILUCHEPZXCGH-PWSUYJOCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000262988668	330038162	/nfs/dbraw/zinc/03/81/62/330038162.db2.gz	SEVVPIUSPLTSHT-UKRRQHHQSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C#CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000263321544	330052159	/nfs/dbraw/zinc/05/21/59/330052159.db2.gz	JBIFOSOEDHDGMJ-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]c(CC)no2)cc1Cl	ZINC000431026057	330577916	/nfs/dbraw/zinc/57/79/16/330577916.db2.gz	CYVUFFHKPWIYDF-UHFFFAOYSA-N	-1	0	293.754	2.884	20	30		CFEDRM
N#CCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000436639157	330681920	/nfs/dbraw/zinc/68/19/20/330681920.db2.gz	JCKOVSNWUFILJA-UHFFFAOYSA-N	-1	0	282.702	2.608	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000448987533	330890229	/nfs/dbraw/zinc/89/02/29/330890229.db2.gz	BPFSATLEZBJZTO-KOLCDFICSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CCCC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1	ZINC000448993777	330890478	/nfs/dbraw/zinc/89/04/78/330890478.db2.gz	NOOUMLJLHQWVFR-OAHLLOKOSA-N	-1	0	279.311	2.598	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000450536989	330985504	/nfs/dbraw/zinc/98/55/04/330985504.db2.gz	VZDOLVKMCMHOSM-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=CCC1(CNC(=O)N=c2[n-]nc(C)s2)CCCC1	ZINC000454226820	331142330	/nfs/dbraw/zinc/14/23/30/331142330.db2.gz	AWZLVERXNGBLRG-UHFFFAOYSA-N	-1	0	280.397	2.526	20	30		CFEDRM
CC#CCSc1n[n-]c(=Nc2ccccc2OC)s1	ZINC000463040444	331338243	/nfs/dbraw/zinc/33/82/43/331338243.db2.gz	VYXAZLWOOUCNCT-UHFFFAOYSA-N	-1	0	291.401	2.828	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000488370321	332002465	/nfs/dbraw/zinc/00/24/65/332002465.db2.gz	GTJGJXQVSZBBLC-SNVBAGLBSA-N	-1	0	294.424	2.830	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C/c1cccc(C)c1)C(=O)[O-]	ZINC000316729975	333403816	/nfs/dbraw/zinc/40/38/16/333403816.db2.gz	YXOATRAUMGBSSO-HBWSCVEGSA-N	-1	0	273.332	2.544	20	30		CFEDRM
CC(C)n1c(SCc2ccc(CC#N)cc2)n[n-]c1=N	ZINC000342496608	335181774	/nfs/dbraw/zinc/18/17/74/335181774.db2.gz	VDZHXEDHWCOALF-UHFFFAOYSA-N	-1	0	287.392	2.630	20	30		CFEDRM
N#CC(=C([O-])c1occc1Br)c1ccccn1	ZINC000083764342	334266320	/nfs/dbraw/zinc/26/63/20/334266320.db2.gz	PMGVECUKNYDULI-QMMMGPOBSA-N	-1	0	291.104	2.927	20	30		CFEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000568710617	334837210	/nfs/dbraw/zinc/83/72/10/334837210.db2.gz	ZBZREZBCWQYGQI-GFCCVEGCSA-N	-1	0	298.346	2.832	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000576530183	335216154	/nfs/dbraw/zinc/21/61/54/335216154.db2.gz	QVJJWXUMVNQROR-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCOc1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC000577529736	335365604	/nfs/dbraw/zinc/36/56/04/335365604.db2.gz	XUZDVFGAGBLJBB-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C(C)C[N@H+](CC)CCOc1cccc(C(=O)[O-])c1	ZINC000382491424	336091823	/nfs/dbraw/zinc/09/18/23/336091823.db2.gz	DXCKZCNIININGF-UHFFFAOYSA-N	-1	0	263.337	2.662	20	30		CFEDRM
Cc1nnc(-c2ccc([O-])c(F)c2F)c(C#N)c1C	ZINC001243337883	782141560	/nfs/dbraw/zinc/14/15/60/782141560.db2.gz	FUXFJZJNHZCAGP-UHFFFAOYSA-N	-1	0	261.231	2.616	20	30		CFEDRM
CCC(CC)(CNc1nc(C)cc(C)c1C#N)C(=O)[O-]	ZINC000165046143	521445069	/nfs/dbraw/zinc/44/50/69/521445069.db2.gz	RHJNTBVPFWMARD-UHFFFAOYSA-N	-1	0	275.352	2.873	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000398229459	517325346	/nfs/dbraw/zinc/32/53/46/517325346.db2.gz	RNENGCFDVCWEHA-RYUDHWBXSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C[C@H]1C[C@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(C)(C)C1	ZINC000067150935	524895572	/nfs/dbraw/zinc/89/55/72/524895572.db2.gz	ZWAPRNBOLNTQRK-WDEREUQCSA-N	-1	0	299.378	2.944	20	30		CFEDRM
Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230338433	525812497	/nfs/dbraw/zinc/81/24/97/525812497.db2.gz	WTZGDBXDPQDCQQ-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H]2C(=O)[O-])ccc1C(F)(F)F	ZINC000163839018	526564166	/nfs/dbraw/zinc/56/41/66/526564166.db2.gz	MLAOBESWBVNAPY-LLVKDONJSA-N	-1	0	284.237	2.630	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)o1	ZINC000361131451	526685438	/nfs/dbraw/zinc/68/54/38/526685438.db2.gz	JIXFYFZXXJHVOV-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
Cc1[n-]sc(=Nc2ccn(CCC(C)C)n2)c1C#N	ZINC000361075404	526713032	/nfs/dbraw/zinc/71/30/32/526713032.db2.gz	UAXDPOIHRKHQIJ-UHFFFAOYSA-N	-1	0	275.381	2.731	20	30		CFEDRM
N#Cc1ccccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000339406548	526735723	/nfs/dbraw/zinc/73/57/23/526735723.db2.gz	JCUQCFRKHMCFQO-WAYWQWQTSA-N	-1	0	295.254	2.730	20	30		CFEDRM
Cc1ncsc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000361251369	527475402	/nfs/dbraw/zinc/47/54/02/527475402.db2.gz	MIZDQHDSTKDIMK-PLNGDYQASA-N	-1	0	271.301	2.587	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000334768385	527478707	/nfs/dbraw/zinc/47/87/07/527478707.db2.gz	JVLYVUQHOVAXCO-NEPJUHHUSA-N	-1	0	299.729	2.648	20	30		CFEDRM
CCOc1c(F)cccc1C([O-])=C(C#N)c1ccncn1	ZINC000354462305	528185093	/nfs/dbraw/zinc/18/50/93/528185093.db2.gz	HLBGPDRPNLZNAS-NSHDSACASA-N	-1	0	285.278	2.504	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)N[C@H]2CC23CCCCC3)s1	ZINC000329105422	528679239	/nfs/dbraw/zinc/67/92/39/528679239.db2.gz	CZSHXQDCKMITCQ-JTQLQIEISA-N	-1	0	294.424	2.961	20	30		CFEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354467340	528716759	/nfs/dbraw/zinc/71/67/59/528716759.db2.gz	LBKRMISPHJLEKQ-SNVBAGLBSA-N	-1	0	286.360	2.684	20	30		CFEDRM
CC1(C)CCCCN(C(=O)N=c2cn[n-]s2)C1	ZINC000330268527	528913854	/nfs/dbraw/zinc/91/38/54/528913854.db2.gz	RFQORSNAUXDVAM-UHFFFAOYSA-N	-1	0	254.359	2.596	20	30		CFEDRM
CCC(CC)n1nccc1C([O-])=C(C#N)c1ccncn1	ZINC000354468168	528917828	/nfs/dbraw/zinc/91/78/28/528917828.db2.gz	LOTYTNMHYAWTDX-GFCCVEGCSA-N	-1	0	283.335	2.524	20	30		CFEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2o1	ZINC000744041636	574050369	/nfs/dbraw/zinc/05/03/69/574050369.db2.gz	ZSENHDYRGSFTPR-SKVAFPRGSA-N	-1	0	252.273	2.970	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnn(C(C)C)c1	ZINC000746681549	574053912	/nfs/dbraw/zinc/05/39/12/574053912.db2.gz	DOCNUIFIESDSOZ-UHFFFAOYSA-N	-1	0	286.335	2.998	20	30		CFEDRM
CC(=NNC1CCCC1)c1ccc(CC(=O)[O-])cc1	ZINC000727652236	574058496	/nfs/dbraw/zinc/05/84/96/574058496.db2.gz	WZIBYZRNEJTXAA-UHFFFAOYSA-N	-1	0	260.337	2.570	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NNC2CCCC2)c1[O-]	ZINC000727652516	574058911	/nfs/dbraw/zinc/05/89/11/574058911.db2.gz	KUTILDYKBNLXSU-UHFFFAOYSA-N	-1	0	283.715	2.820	20	30		CFEDRM
C[C@@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)[O-]	ZINC000736544446	574059193	/nfs/dbraw/zinc/05/91/93/574059193.db2.gz	HJYGBNPARIAKOL-JTQLQIEISA-N	-1	0	292.360	2.884	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Sc1ncc(C#N)cc1Cl	ZINC000736555143	574060164	/nfs/dbraw/zinc/06/01/64/574060164.db2.gz	BNFXRZGRECBXLY-LURJTMIESA-N	-1	0	256.714	2.562	20	30		CFEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000736772633	574071584	/nfs/dbraw/zinc/07/15/84/574071584.db2.gz	GSPOMHIGJXKBIZ-LKFCYVNXSA-N	-1	0	292.360	2.649	20	30		CFEDRM
C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000736773635	574071690	/nfs/dbraw/zinc/07/16/90/574071690.db2.gz	UTQKIPXGBYAKGT-MEDUHNTESA-N	-1	0	286.331	2.587	20	30		CFEDRM
C=C(C)COC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738485872	574089385	/nfs/dbraw/zinc/08/93/85/574089385.db2.gz	VUWVTJAVCIJXCN-CYBMUJFWSA-N	-1	0	277.320	2.895	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1	ZINC000738488888	574091958	/nfs/dbraw/zinc/09/19/58/574091958.db2.gz	OHZQPOPTYWNQLK-VIFPVBQESA-N	-1	0	293.323	2.871	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccccc1C(=O)[O-]	ZINC000730728078	574093490	/nfs/dbraw/zinc/09/34/90/574093490.db2.gz	JNCOOANXIBTVRA-UHFFFAOYSA-N	-1	0	264.325	2.845	20	30		CFEDRM
COCCNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953477	574104537	/nfs/dbraw/zinc/10/45/37/574104537.db2.gz	ZWNBNWXDDOLSMH-UHFFFAOYSA-N	-1	0	295.433	2.625	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)c1ccc(C(=O)[O-])cc1	ZINC000731320994	574116581	/nfs/dbraw/zinc/11/65/81/574116581.db2.gz	BHZKSPWJZXUBHI-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CCOc1cccc(/C=N\Cc2ccc(C(=O)[O-])o2)c1O	ZINC000737209684	574118565	/nfs/dbraw/zinc/11/85/65/574118565.db2.gz	DAOYWPITARNBEH-PXNMLYILSA-N	-1	0	289.287	2.701	20	30		CFEDRM
CON=Cc1cccc(OCc2ccccc2C(=O)[O-])c1	ZINC000731558589	574123837	/nfs/dbraw/zinc/12/38/37/574123837.db2.gz	BEIOKEIRTBBMOV-UHFFFAOYSA-N	-1	0	285.299	2.944	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000737527592	574146447	/nfs/dbraw/zinc/14/64/47/574146447.db2.gz	KTVSFAWHWUPEOK-ZDUSSCGKSA-N	-1	0	282.384	2.581	20	30		CFEDRM
CC(=NOCc1cccnc1)c1ccccc1C(=O)[O-]	ZINC000746588821	574156704	/nfs/dbraw/zinc/15/67/04/574156704.db2.gz	TTYDRGUYPXHLBI-UHFFFAOYSA-N	-1	0	270.288	2.721	20	30		CFEDRM
COc1cccc(/C=N\C[C@H](CC(C)C)C(=O)[O-])c1O	ZINC000738094711	574157892	/nfs/dbraw/zinc/15/78/92/574157892.db2.gz	BJPHEUQICHQTIG-LUMBYOQCSA-N	-1	0	279.336	2.567	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000732530027	574160454	/nfs/dbraw/zinc/16/04/54/574160454.db2.gz	HMROSMBMOFMBJV-ONEGZZNKSA-N	-1	0	276.317	2.559	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NNCc2ccccc2)c1)C(=O)[O-]	ZINC000746681312	574162715	/nfs/dbraw/zinc/16/27/15/574162715.db2.gz	BFRSNHXRLAJQDJ-CYBMUJFWSA-N	-1	0	298.342	2.662	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc1O	ZINC000738321100	574164197	/nfs/dbraw/zinc/16/41/97/574164197.db2.gz	WNBAPRLSHBRGCY-UTCJRWHESA-N	-1	0	272.256	2.888	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)o1	ZINC000738347125	574165501	/nfs/dbraw/zinc/16/55/01/574165501.db2.gz	ADEIRTGDLCVKNU-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
N#CCOc1ccc(Cl)cc1CSCC(=O)[O-]	ZINC000738425326	574168481	/nfs/dbraw/zinc/16/84/81/574168481.db2.gz	FZMVOUOUUCUGCC-UHFFFAOYSA-N	-1	0	271.725	2.560	20	30		CFEDRM
Cn1c2ccccc2[nH]c1=NN=Cc1cccc(F)c1O	ZINC000755649194	574174696	/nfs/dbraw/zinc/17/46/96/574174696.db2.gz	UTCGYQRETCYKIR-UHFFFAOYSA-N	-1	0	284.294	2.864	20	30		CFEDRM
COc1ccc(CNC(=O)c2ccc(C)cc2O)cc1C#N	ZINC000747065233	574177870	/nfs/dbraw/zinc/17/78/70/574177870.db2.gz	VRELFZDWXJSMKS-UHFFFAOYSA-N	-1	0	296.326	2.511	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=COCC2)n1	ZINC000747196025	574187142	/nfs/dbraw/zinc/18/71/42/574187142.db2.gz	FYNOHIILLPTICL-JTQLQIEISA-N	-1	0	262.334	2.747	20	30		CFEDRM
Cc1nc(C)c(C#N)c(S[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000738844640	574187490	/nfs/dbraw/zinc/18/74/90/574187490.db2.gz	NNNWBYVRUJYLFB-ZDUSSCGKSA-N	-1	0	299.355	2.883	20	30		CFEDRM
Cc1noc(C)c1[C@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738939544	574190639	/nfs/dbraw/zinc/19/06/39/574190639.db2.gz	DOFHTRZBBWDGCU-VFZGTOFNSA-N	-1	0	299.330	2.640	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)C1CCOCC1	ZINC000755873319	574192873	/nfs/dbraw/zinc/19/28/73/574192873.db2.gz	YUIYAMJHDDROIK-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
N#CCN(C(=O)c1cccc(NC(=O)[O-])c1)C1CCCC1	ZINC000739075494	574196690	/nfs/dbraw/zinc/19/66/90/574196690.db2.gz	GDXMNNWLXKTKEW-UHFFFAOYSA-N	-1	0	287.319	2.685	20	30		CFEDRM
N#Cc1ccc(CNC(=O)c2ccccc2NC(=O)[O-])cc1	ZINC000739117361	574199136	/nfs/dbraw/zinc/19/91/36/574199136.db2.gz	DMPCBPCKFWVGRE-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1ccc(COC(=O)c2ccccc2C(=O)[O-])c(F)c1	ZINC000739117831	574199278	/nfs/dbraw/zinc/19/92/78/574199278.db2.gz	JBTUAKRBULIJCU-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1cnc(NCc2ccc(C(=O)[O-])o2)c(Cl)c1	ZINC000739143138	574199491	/nfs/dbraw/zinc/19/94/91/574199491.db2.gz	XFWHQWSOMVGANI-UHFFFAOYSA-N	-1	0	277.667	2.510	20	30		CFEDRM
N#Cc1nc(NCc2ccc(C(=O)[O-])o2)ccc1Cl	ZINC000739144894	574199688	/nfs/dbraw/zinc/19/96/88/574199688.db2.gz	BUCSMAZOQXSFOZ-UHFFFAOYSA-N	-1	0	277.667	2.510	20	30		CFEDRM
C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739194350	574200458	/nfs/dbraw/zinc/20/04/58/574200458.db2.gz	QTQDZVOMBGAAAL-JOYOIKCWSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1	ZINC000739331222	574208394	/nfs/dbraw/zinc/20/83/94/574208394.db2.gz	PTRCKOAGVCMPSF-ZDUSSCGKSA-N	-1	0	284.400	2.805	20	30		CFEDRM
O=C([O-])COc1cccc(C=NNc2ccccc2F)c1	ZINC000733203501	574210591	/nfs/dbraw/zinc/21/05/91/574210591.db2.gz	MXIWVJCYYPLZAP-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
C#CCNC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000748038846	574226157	/nfs/dbraw/zinc/22/61/57/574226157.db2.gz	QKCGCDNAPNVICL-UHFFFAOYSA-N	-1	0	259.692	2.562	20	30		CFEDRM
C[C@@H](NN=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000748134020	574231171	/nfs/dbraw/zinc/23/11/71/574231171.db2.gz	SYQYAOQAZZFEHA-LLVKDONJSA-N	-1	0	285.303	2.985	20	30		CFEDRM
N#Cc1cc(F)c(NCC[C@@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000740310942	574246440	/nfs/dbraw/zinc/24/64/40/574246440.db2.gz	LHRPKVXPRUIXAH-SECBINFHSA-N	-1	0	295.289	2.638	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H]1CCC[C@@H]1CNC(=O)[O-]	ZINC000740310068	574246462	/nfs/dbraw/zinc/24/64/62/574246462.db2.gz	ANKRTMSQESYVIQ-SKDRFNHKSA-N	-1	0	277.299	2.546	20	30		CFEDRM
N#CCCN(Cc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000740308224	574246521	/nfs/dbraw/zinc/24/65/21/574246521.db2.gz	HPRYVNGCXPTMDM-HNNXBMFYSA-N	-1	0	287.363	2.545	20	30		CFEDRM
N#Cc1cc(NCCN(C(=O)[O-])C2CC2)nc2ccccc12	ZINC000740312143	574246769	/nfs/dbraw/zinc/24/67/69/574246769.db2.gz	AWQZYBVSZGNMLC-UHFFFAOYSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])cc1	ZINC000740323196	574247172	/nfs/dbraw/zinc/24/71/72/574247172.db2.gz	KNMODIVXLOQFHU-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O	ZINC000740521675	574253685	/nfs/dbraw/zinc/25/36/85/574253685.db2.gz	UELOEYQGUHMVJK-OLWAXZHHSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1c(F)cccc1F	ZINC000740620206	574258458	/nfs/dbraw/zinc/25/84/58/574258458.db2.gz	MYSIXWSLVCSUIC-MRVPVSSYSA-N	-1	0	283.278	2.800	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cc(F)cc(F)c1	ZINC000740621368	574258708	/nfs/dbraw/zinc/25/87/08/574258708.db2.gz	VTGMXPCWBOEOLB-MRVPVSSYSA-N	-1	0	283.278	2.800	20	30		CFEDRM
O=C([O-])Nc1ccc(N=Cc2ccc(O)c(O)c2O)cc1	ZINC000740703343	574263601	/nfs/dbraw/zinc/26/36/01/574263601.db2.gz	MULZGXUHNCJHPB-UHFFFAOYSA-N	-1	0	288.259	2.644	20	30		CFEDRM
Cc1cc(Cl)cc(C)c1C=NNc1nnc(C)c(=O)[n-]1	ZINC000756876508	574269998	/nfs/dbraw/zinc/26/99/98/574269998.db2.gz	JYLPIBNPPCLEKY-UHFFFAOYSA-N	-1	0	291.742	2.602	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756901733	574271845	/nfs/dbraw/zinc/27/18/45/574271845.db2.gz	YZCHVEUSKSPVKM-UHFFFAOYSA-N	-1	0	294.351	2.854	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C1CCC1	ZINC000756905455	574272054	/nfs/dbraw/zinc/27/20/54/574272054.db2.gz	AJVRXQGNNTWPHK-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
CCCC(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905701	574272086	/nfs/dbraw/zinc/27/20/86/574272086.db2.gz	FVXKEFWLVYBWCN-UHFFFAOYSA-N	-1	0	250.298	2.981	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1[nH]c(C)cc1C	ZINC000756905875	574272106	/nfs/dbraw/zinc/27/21/06/574272106.db2.gz	OFRQRDIVLWNOFP-UHFFFAOYSA-N	-1	0	287.319	2.784	20	30		CFEDRM
CC(=NOCC(C)C)c1cccc(OCC(=O)[O-])c1	ZINC000749631648	574303146	/nfs/dbraw/zinc/30/31/46/574303146.db2.gz	NIVYKRIQHLXEEO-UHFFFAOYSA-N	-1	0	265.309	2.547	20	30		CFEDRM
C[C@@H](Cc1ccncc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749844079	574312622	/nfs/dbraw/zinc/31/26/22/574312622.db2.gz	HCOBDZUFAVLZSE-MTUBTWAWSA-N	-1	0	285.303	2.746	20	30		CFEDRM
C=CCCNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000735412962	574322567	/nfs/dbraw/zinc/32/25/67/574322567.db2.gz	NKLPXUKTZDHLRE-UHFFFAOYSA-N	-1	0	283.257	2.874	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@H]2Cc2ccccc2)[n-]c1=O	ZINC000735609957	574331093	/nfs/dbraw/zinc/33/10/93/574331093.db2.gz	HUYWXPYDNYDIDU-ZDUSSCGKSA-N	-1	0	297.362	2.696	20	30		CFEDRM
C=CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(F)cc1	ZINC000735614373	574331315	/nfs/dbraw/zinc/33/13/15/574331315.db2.gz	WBJFVVOTEJAZES-UHFFFAOYSA-N	-1	0	296.309	2.884	20	30		CFEDRM
COc1cccc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000725853345	574332046	/nfs/dbraw/zinc/33/20/46/574332046.db2.gz	JXGVAMLTQSZYNE-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
CC(C)C[C@H](CNC(=O)[O-])Nc1ncc(C#N)cc1Cl	ZINC000738810944	574335225	/nfs/dbraw/zinc/33/52/25/574335225.db2.gz	KPPIJLNIGPUAMS-SNVBAGLBSA-N	-1	0	296.758	2.701	20	30		CFEDRM
C#CCOc1cccc(OC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000736088653	574350178	/nfs/dbraw/zinc/35/01/78/574350178.db2.gz	YTSJXUJFRIUEQW-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C#CCOc1cccc(OCc2cc(C(=O)[O-])co2)c1	ZINC000736087959	574350487	/nfs/dbraw/zinc/35/04/87/574350487.db2.gz	OTBAAVVWLAFLRP-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C=C(C)CNC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1	ZINC000736094622	574350638	/nfs/dbraw/zinc/35/06/38/574350638.db2.gz	PMMCPJFGYNPAFZ-ZDUSSCGKSA-N	-1	0	292.404	2.633	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)c1cccc(C(=O)[O-])c1	ZINC000736261967	574358429	/nfs/dbraw/zinc/35/84/29/574358429.db2.gz	XRRHFBZSICNYHQ-UHFFFAOYSA-N	-1	0	288.347	2.787	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@@H]2CCCO[C@H]21	ZINC000743431402	574363975	/nfs/dbraw/zinc/36/39/75/574363975.db2.gz	YNWYTGYOSLZYNY-SMDDNHRTSA-N	-1	0	288.347	2.988	20	30		CFEDRM
CCOc1cccc(C(C)=NNc2[n-]cnc3ncnc2-3)c1	ZINC000743531235	574368072	/nfs/dbraw/zinc/36/80/72/574368072.db2.gz	MIENFVNZPBMCHV-UHFFFAOYSA-N	-1	0	296.334	2.588	20	30		CFEDRM
Cn1nnc2cc(/C=C\C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000751031384	574368581	/nfs/dbraw/zinc/36/85/81/574368581.db2.gz	ILGVANXXZDXBNU-UTCJRWHESA-N	-1	0	297.289	2.709	20	30		CFEDRM
Cc1ccncc1/C=C\C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000752680160	574393550	/nfs/dbraw/zinc/39/35/50/574393550.db2.gz	MLQFQZFUDHMTCP-HYXAFXHYSA-N	-1	0	279.299	2.619	20	30		CFEDRM
Cc1ccncc1/C=C/C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000752680159	574393576	/nfs/dbraw/zinc/39/35/76/574393576.db2.gz	MLQFQZFUDHMTCP-HWKANZROSA-N	-1	0	279.299	2.619	20	30		CFEDRM
CC(C)CCNC(=S)NN=Cc1cccc(Cl)c1[O-]	ZINC000753159880	574399552	/nfs/dbraw/zinc/39/95/52/574399552.db2.gz	AMKRBWYKZHXBRW-UHFFFAOYSA-N	-1	0	299.827	2.890	20	30		CFEDRM
O=c1[nH]ncc(NN=Cc2cccc(Cl)c2[O-])c1Cl	ZINC000753164297	574399653	/nfs/dbraw/zinc/39/96/53/574399653.db2.gz	ZKTYMAZIYLPILV-UHFFFAOYSA-N	-1	0	299.117	2.641	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1csc(C(=O)[O-])c1	ZINC000753718337	574408749	/nfs/dbraw/zinc/40/87/49/574408749.db2.gz	XFZOVUHQOQZLFT-ARJAWSKDSA-N	-1	0	276.317	2.559	20	30		CFEDRM
C=CCCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000237603764	601394368	/nfs/dbraw/zinc/39/43/68/601394368.db2.gz	XMEOODLBPMBYNV-FZMZJTMJSA-N	-1	0	261.321	2.531	20	30		CFEDRM
O=C([O-])c1ccc(C/N=C/c2ccccc2O)cc1	ZINC000819666862	597166030	/nfs/dbraw/zinc/16/60/30/597166030.db2.gz	LYOQJSIPYXIKOL-MHWRWJLKSA-N	-1	0	255.273	2.710	20	30		CFEDRM
CCCCCCCCNC(=O)N1CCC(C(=O)[O-])CC1	ZINC000145392878	597392243	/nfs/dbraw/zinc/39/22/43/597392243.db2.gz	UTBASPPSWBXSGT-UHFFFAOYSA-N	-1	0	284.400	2.853	20	30		CFEDRM
N#CCC1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC000821320647	597713169	/nfs/dbraw/zinc/71/31/69/597713169.db2.gz	SHLOUZFNONJHQW-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC(=NNCCC(=O)[O-])[C@H](C)c1nc2ccccc2s1	ZINC000819726796	597740770	/nfs/dbraw/zinc/74/07/70/597740770.db2.gz	QQQNLKRGVTWBOI-VIFPVBQESA-N	-1	0	291.376	2.840	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2nc3ccccc3[nH]2)CC1	ZINC000814709327	598095205	/nfs/dbraw/zinc/09/52/05/598095205.db2.gz	ZBAJJPVHNANYFP-UHFFFAOYSA-N	-1	0	272.308	2.606	20	30		CFEDRM
C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000820136004	598136481	/nfs/dbraw/zinc/13/64/81/598136481.db2.gz	AVIAOIAKZDOVDG-NSHDSACASA-N	-1	0	294.310	2.747	20	30		CFEDRM
CC(C)C[C@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000794402260	598208344	/nfs/dbraw/zinc/20/83/44/598208344.db2.gz	PLMOTJVPZXBBEL-ZETCQYMHSA-N	-1	0	273.745	2.579	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)s1	ZINC000042317765	620641881	/nfs/dbraw/zinc/64/18/81/620641881.db2.gz	LKLBCUXUQHWMLU-UHFFFAOYSA-N	-1	0	287.387	2.812	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2ccccc2c1	ZINC000819856235	598221575	/nfs/dbraw/zinc/22/15/75/598221575.db2.gz	HWZQZBNQLBZTAT-INIZCTEOSA-N	-1	0	282.299	2.783	20	30		CFEDRM
Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c(Cl)c1	ZINC000821088557	598221728	/nfs/dbraw/zinc/22/17/28/598221728.db2.gz	YTUGDTGPTBUYCK-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
Cc1cc(OC(=O)[C@@](C)(C#N)CC(=O)[O-])cc(C)c1Cl	ZINC000821046183	598224177	/nfs/dbraw/zinc/22/41/77/598224177.db2.gz	XSXHSAUPBYCWKB-CQSZACIVSA-N	-1	0	295.722	2.867	20	30		CFEDRM
Cc1ccc(NN=Cc2ccccc2C(=O)[O-])nc1	ZINC000727260223	600055516	/nfs/dbraw/zinc/05/55/16/600055516.db2.gz	TWFFAKTZYQAACS-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C=CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1	ZINC000316061344	600430779	/nfs/dbraw/zinc/43/07/79/600430779.db2.gz	XSDBOHKEBFZTQT-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCOc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1	ZINC000037585383	600559090	/nfs/dbraw/zinc/55/90/90/600559090.db2.gz	ZRPAOJWCDNXOJB-UHFFFAOYSA-N	-1	0	291.347	2.577	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCCOc1ccc(C#N)cc1	ZINC000090097483	600583959	/nfs/dbraw/zinc/58/39/59/600583959.db2.gz	XTUDYPALTSYEJM-JTQLQIEISA-N	-1	0	265.334	2.533	20	30		CFEDRM
C/C(=C/CSc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000825793695	600727743	/nfs/dbraw/zinc/72/77/43/600727743.db2.gz	XQZXUSHVDBWIDK-POHAHGRESA-N	-1	0	288.372	2.955	20	30		CFEDRM
C=CCOCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-]	ZINC000825698291	600938742	/nfs/dbraw/zinc/93/87/42/600938742.db2.gz	BIVVMXBGJLBOCJ-UHFFFAOYSA-N	-1	0	298.722	2.926	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000231957913	601145626	/nfs/dbraw/zinc/14/56/26/601145626.db2.gz	NBGXANSGDCVIFA-UHFFFAOYSA-N	-1	0	294.376	2.734	20	30		CFEDRM
N#CCN(CCCOc1cccc2ccccc21)CC(=O)[O-]	ZINC000833066646	601226818	/nfs/dbraw/zinc/22/68/18/601226818.db2.gz	DUWGOPRORXXTFT-UHFFFAOYSA-N	-1	0	298.342	2.519	20	30		CFEDRM
N#Cc1cccc([C@H](Nc2ccc3c(c2)CCO3)C(=O)[O-])c1	ZINC000833076502	601300149	/nfs/dbraw/zinc/30/01/49/601300149.db2.gz	WHYNGPAVZVMDGX-INIZCTEOSA-N	-1	0	294.310	2.731	20	30		CFEDRM
Cc1ccc2c(c1)C/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832962035	601331982	/nfs/dbraw/zinc/33/19/82/601331982.db2.gz	ORQDQIAWDMPVIE-FLIBITNWSA-N	-1	0	267.284	2.844	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)C2	ZINC000832487098	601332448	/nfs/dbraw/zinc/33/24/48/601332448.db2.gz	QNERLAAHQOYARG-YFHOEESVSA-N	-1	0	283.283	2.544	20	30		CFEDRM
CCc1nc2ccccc2n1N=Cc1ccc(C(=O)[O-])[nH]1	ZINC000830322865	601337233	/nfs/dbraw/zinc/33/72/33/601337233.db2.gz	RZNAGTMHWJZYPV-UHFFFAOYSA-N	-1	0	282.303	2.507	20	30		CFEDRM
CCCCC[C@H](/N=C/c1cccc(O)c1O)C(=O)[O-]	ZINC000829311736	601365511	/nfs/dbraw/zinc/36/55/11/601365511.db2.gz	KFRXOSBYYAPUNM-ZRRZQRFHSA-N	-1	0	265.309	2.550	20	30		CFEDRM
CCCCC[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000829347478	601382994	/nfs/dbraw/zinc/38/29/94/601382994.db2.gz	JYAWRGQPUGVWFO-GFCCVEGCSA-N	-1	0	291.307	2.912	20	30		CFEDRM
O=C([O-])[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000833189987	601420091	/nfs/dbraw/zinc/42/00/91/601420091.db2.gz	FQBVFJKFOJLCQZ-ZDUSSCGKSA-N	-1	0	297.276	2.606	20	30		CFEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000825671577	601430665	/nfs/dbraw/zinc/43/06/65/601430665.db2.gz	VFRNQHVBNKGUDN-ZDUSSCGKSA-N	-1	0	266.268	2.851	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000825671385	601434958	/nfs/dbraw/zinc/43/49/58/601434958.db2.gz	ODSVFMLSKXYNFP-ZDUSSCGKSA-N	-1	0	261.321	2.675	20	30		CFEDRM
N#Cc1csc(/C=C\c2ccc(C(=O)[O-])cn2)c1	ZINC000833078420	601444862	/nfs/dbraw/zinc/44/48/62/601444862.db2.gz	JODYZMFHMBCELV-ARJAWSKDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=CCCCC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000825671238	601447849	/nfs/dbraw/zinc/44/78/49/601447849.db2.gz	IDFBVLSKMOFXIV-UHFFFAOYSA-N	-1	0	253.342	2.637	20	30		CFEDRM
C=CCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000825671251	601449895	/nfs/dbraw/zinc/44/98/95/601449895.db2.gz	IUIBRWLDYDKNFK-ZDUSSCGKSA-N	-1	0	283.274	2.563	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000833066013	601477473	/nfs/dbraw/zinc/47/74/73/601477473.db2.gz	SDIQFDYSRVLLSM-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#Cc1csc(C(=O)Oc2ccccc2C(=O)[O-])c1	ZINC000833078638	601499393	/nfs/dbraw/zinc/49/93/93/601499393.db2.gz	NBXXFWCXYJPHLL-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
C[C@@H](SCC#Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000827902173	601577010	/nfs/dbraw/zinc/57/70/10/601577010.db2.gz	FUESZVMAOVIMGC-SECBINFHSA-N	-1	0	254.738	2.898	20	30		CFEDRM
Cc1sc(NC(=O)N(C)[C@H](C)CC#N)c(C(=O)[O-])c1C	ZINC000063096649	601622301	/nfs/dbraw/zinc/62/23/01/601622301.db2.gz	KNEADMQLQKEXHM-SSDOTTSWSA-N	-1	0	295.364	2.829	20	30		CFEDRM
Cc1sc(NC(=O)N(C)[C@@H](C)CC#N)c(C(=O)[O-])c1C	ZINC000063096646	601622356	/nfs/dbraw/zinc/62/23/56/601622356.db2.gz	KNEADMQLQKEXHM-ZETCQYMHSA-N	-1	0	295.364	2.829	20	30		CFEDRM
C=C[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825659772	601680738	/nfs/dbraw/zinc/68/07/38/601680738.db2.gz	DKUXRNCUNINUFF-PGBBXKAQSA-N	-1	0	262.265	2.679	20	30		CFEDRM
N#Cc1csc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1	ZINC000819111160	601683289	/nfs/dbraw/zinc/68/32/89/601683289.db2.gz	NAQSVUWJSLZGKR-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
COc1ccc(C)cc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832253130	601792219	/nfs/dbraw/zinc/79/22/19/601792219.db2.gz	UXQROMLGJGDDNU-PLNGDYQASA-N	-1	0	285.299	2.926	20	30		CFEDRM
Cc1ccc2c(c1C)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CO2	ZINC000832959449	601793068	/nfs/dbraw/zinc/79/30/68/601793068.db2.gz	GIANASSRWFJVQN-XGICHPGQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/CCc3sccc3C2=O)c[nH]1	ZINC000833298414	601793492	/nfs/dbraw/zinc/79/34/92/601793492.db2.gz	UIYBLMFRGZXTGQ-UITAMQMPSA-N	-1	0	273.313	2.987	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3ccc(F)cc3C2=O)c[nH]1	ZINC000833298397	601794497	/nfs/dbraw/zinc/79/44/97/601794497.db2.gz	TVQBHHWXNWKLPN-KMKOMSMNSA-N	-1	0	271.247	2.674	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C\c2ccoc2C(=O)[O-])c1	ZINC000832419601	601825676	/nfs/dbraw/zinc/82/56/76/601825676.db2.gz	QNZNTMAFBSJMMB-RQOWECAXSA-N	-1	0	288.255	2.588	20	30		CFEDRM
N#Cc1ccccc1OCc1ccc(C(=O)[O-])s1	ZINC000109600286	601848989	/nfs/dbraw/zinc/84/89/89/601848989.db2.gz	KGHBAHURTDYZOV-UHFFFAOYSA-N	-1	0	259.286	2.897	20	30		CFEDRM
COc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC000832572487	601851862	/nfs/dbraw/zinc/85/18/62/601851862.db2.gz	FLZZUAZUQDYCMQ-VQHVLOKHSA-N	-1	0	284.267	2.809	20	30		CFEDRM
C[C@@H](CN(Cc1ccccc1)c1ncccc1C#N)C(=O)[O-]	ZINC000827456178	602237320	/nfs/dbraw/zinc/23/73/20/602237320.db2.gz	RVTYEYOXPIUMPP-ZDUSSCGKSA-N	-1	0	295.342	2.681	20	30		CFEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000825664844	602283683	/nfs/dbraw/zinc/28/36/83/602283683.db2.gz	NMGSLJVLPGQKEU-HNNXBMFYSA-N	-1	0	299.326	2.996	20	30		CFEDRM
N#Cc1cc(COc2ccc(C(=O)[O-])cc2C=O)ccc1F	ZINC000833068999	602290244	/nfs/dbraw/zinc/29/02/44/602290244.db2.gz	RLTKJMVTTMCPPK-UHFFFAOYSA-N	-1	0	299.257	2.787	20	30		CFEDRM
N#Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000833073242	602354372	/nfs/dbraw/zinc/35/43/72/602354372.db2.gz	YDZASBSHVCGSQY-UHFFFAOYSA-N	-1	0	298.273	2.577	20	30		CFEDRM
CN(CCNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000828332046	603186163	/nfs/dbraw/zinc/18/61/63/603186163.db2.gz	FHFXGQUAJMEOMX-UHFFFAOYSA-N	-1	0	287.241	2.599	20	30		CFEDRM
C[C@@H](NC(=O)[O-])C1CCN(c2ccc(F)cc2C#N)CC1	ZINC000825287913	603187365	/nfs/dbraw/zinc/18/73/65/603187365.db2.gz	LCEGEKQGGPWYDV-SNVBAGLBSA-N	-1	0	291.326	2.570	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c(F)c1	ZINC000831136943	603199996	/nfs/dbraw/zinc/19/99/96/603199996.db2.gz	MFNBYFAUJGFMLL-DGCLKSJQSA-N	-1	0	291.326	2.936	20	30		CFEDRM
C#CC[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)C	ZINC000823440806	603440504	/nfs/dbraw/zinc/44/05/04/603440504.db2.gz	JAUGXNVIGSPEFO-AWEZNQCLSA-N	-1	0	289.331	2.910	20	30		CFEDRM
N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000831145842	603443196	/nfs/dbraw/zinc/44/31/96/603443196.db2.gz	BZBUGAIUNGDQOC-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)s1	ZINC000831122841	603452662	/nfs/dbraw/zinc/45/26/62/603452662.db2.gz	TUCOCCBFRVTTCS-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
N#Cc1cccc(C(=O)Oc2cccc(NC(=O)[O-])c2)c1	ZINC000831145946	603483075	/nfs/dbraw/zinc/48/30/75/603483075.db2.gz	GMCUPGLCCKWQDV-UHFFFAOYSA-N	-1	0	282.255	2.867	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(OC(=O)C#Cc2ccccc2)cc1	ZINC000827900025	603498703	/nfs/dbraw/zinc/49/87/03/603498703.db2.gz	NGOWZMJLQLZHAT-UHFFFAOYSA-N	-1	0	295.294	2.758	20	30		CFEDRM
C=CCCc1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000823500873	603641483	/nfs/dbraw/zinc/64/14/83/603641483.db2.gz	NCCHFKORUISNPW-UHFFFAOYSA-N	-1	0	259.265	2.945	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(F)ccc1C)C(=O)[O-]	ZINC000900321976	620661701	/nfs/dbraw/zinc/66/17/01/620661701.db2.gz	BTBQNHQYZOHZKA-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900323286	620662045	/nfs/dbraw/zinc/66/20/45/620662045.db2.gz	ZIYIDCRDQGJQGU-LBPRGKRZSA-N	-1	0	296.754	2.966	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823490919	603767483	/nfs/dbraw/zinc/76/74/83/603767483.db2.gz	NROCSSVZUYTKAS-ZETCQYMHSA-N	-1	0	267.260	2.612	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cccc(CN(CC)C(=O)[O-])c1	ZINC000823491473	603767869	/nfs/dbraw/zinc/76/78/69/603767869.db2.gz	VPTFHMAXBFFENY-NSHDSACASA-N	-1	0	291.351	2.883	20	30		CFEDRM
CC(C)(C#N)c1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000823738103	603769344	/nfs/dbraw/zinc/76/93/44/603769344.db2.gz	RJDGIRHJDSHXSD-UHFFFAOYSA-N	-1	0	272.264	2.628	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)NC(C)(C)C(=O)[O-])c1	ZINC000900355437	620664012	/nfs/dbraw/zinc/66/40/12/620664012.db2.gz	MXEIBQXZBFZLLM-UHFFFAOYSA-N	-1	0	262.309	2.704	20	30		CFEDRM
CCC(CC)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000826575672	603822352	/nfs/dbraw/zinc/82/23/52/603822352.db2.gz	LXWRVHYVFVTEIW-UHFFFAOYSA-N	-1	0	275.352	2.839	20	30		CFEDRM
Cc1ccc(NN=Cc2cccc3c2N(C(=O)[O-])CC3)nc1	ZINC000830396085	603822948	/nfs/dbraw/zinc/82/29/48/603822948.db2.gz	TYJZNQOMAGPKPH-UHFFFAOYSA-N	-1	0	296.330	2.877	20	30		CFEDRM
CC(C)(CNc1nc2ccccc2cc1C#N)NC(=O)[O-]	ZINC000824011421	603956693	/nfs/dbraw/zinc/95/66/93/603956693.db2.gz	MJQOUODCVKDURX-UHFFFAOYSA-N	-1	0	284.319	2.565	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823491497	603990612	/nfs/dbraw/zinc/99/06/12/603990612.db2.gz	VYIVPONAZPPWOR-JTQLQIEISA-N	-1	0	289.335	2.813	20	30		CFEDRM
C=CCC(CC=C)c1nc(C2(NC(=O)[O-])CCC2)no1	ZINC000823491518	604029404	/nfs/dbraw/zinc/02/94/04/604029404.db2.gz	WJXQFLPDZCABLL-UHFFFAOYSA-N	-1	0	277.324	2.952	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-]	ZINC000823490530	604069597	/nfs/dbraw/zinc/06/95/97/604069597.db2.gz	FORUQCFGRUNDHZ-TZMCWYRMSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=CCc1ccccc1OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823521790	604215946	/nfs/dbraw/zinc/21/59/46/604215946.db2.gz	JDHDZVGQSDUQFN-OLZOCXBDSA-N	-1	0	289.331	2.757	20	30		CFEDRM
C#CCCCOC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823444603	604231841	/nfs/dbraw/zinc/23/18/41/604231841.db2.gz	NMNRRAJCUOVGOI-OCCSQVGLSA-N	-1	0	289.331	2.588	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000823490612	604249188	/nfs/dbraw/zinc/24/91/88/604249188.db2.gz	HPUFJNFWPOXKLA-GXTWGEPZSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=CCN(C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)C(C)C	ZINC000823500965	604338339	/nfs/dbraw/zinc/33/83/39/604338339.db2.gz	OCYHJEGCOXBHHE-ZIAGYGMSSA-N	-1	0	296.411	2.826	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823496890	604358896	/nfs/dbraw/zinc/35/88/96/604358896.db2.gz	RWLTZRMKHPSJKI-KBPBESRZSA-N	-1	0	296.411	2.827	20	30		CFEDRM
CC(C)(C)/C=C/C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833422600	604582299	/nfs/dbraw/zinc/58/22/99/604582299.db2.gz	JQKWRTMSMHPQIR-BQYQJAHWSA-N	-1	0	287.315	2.902	20	30		CFEDRM
C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)OCC	ZINC000833368947	604597600	/nfs/dbraw/zinc/59/76/00/604597600.db2.gz	YBBQTYMBPMDHGF-MFKMUULPSA-N	-1	0	296.319	2.953	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1cccc(CC(=O)[O-])c1)OCC	ZINC000833368657	604611854	/nfs/dbraw/zinc/61/18/54/604611854.db2.gz	OWCXLKOPSVGWJL-CQSZACIVSA-N	-1	0	292.331	2.590	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1sccc1C(=O)[O-])OCC	ZINC000833368406	604614927	/nfs/dbraw/zinc/61/49/27/604614927.db2.gz	HGGVVJJLXZZLEO-JTQLQIEISA-N	-1	0	283.349	2.756	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1	ZINC000221784147	604626319	/nfs/dbraw/zinc/62/63/19/604626319.db2.gz	POTROCUTKHZZQQ-KMKOMSMNSA-N	-1	0	268.268	2.987	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccnc2)cc1	ZINC000833309893	604630514	/nfs/dbraw/zinc/63/05/14/604630514.db2.gz	IGRPVWUAGHRAGS-FPYGCLRLSA-N	-1	0	253.257	2.676	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823501332	604637923	/nfs/dbraw/zinc/63/79/23/604637923.db2.gz	VHMYVDUQIFUBFG-CYBMUJFWSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=CCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763372090	604669292	/nfs/dbraw/zinc/66/92/92/604669292.db2.gz	RGYCLBVJSHVXER-UHFFFAOYSA-N	-1	0	297.314	2.791	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCCc2ccccc2F)CC1	ZINC000832239378	604680750	/nfs/dbraw/zinc/68/07/50/604680750.db2.gz	GAIAYFVCPDFHKY-UHFFFAOYSA-N	-1	0	293.342	2.524	20	30		CFEDRM
C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC000833524132	604714685	/nfs/dbraw/zinc/71/46/85/604714685.db2.gz	AWDKJHHETVYBGD-SNVBAGLBSA-N	-1	0	267.288	2.825	20	30		CFEDRM
C=C[C@@H](CC(=O)OC/C=C(/C)C(=O)[O-])c1ccccc1	ZINC000833371915	604730031	/nfs/dbraw/zinc/73/00/31/604730031.db2.gz	WVFDGAMMDNTYJJ-SUIFULHWSA-N	-1	0	274.316	2.920	20	30		CFEDRM
C=C[C@H](CC(=O)O[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000833370912	604732379	/nfs/dbraw/zinc/73/23/79/604732379.db2.gz	IZPJPERRTOYRFD-IUODEOHRSA-N	-1	0	276.332	2.999	20	30		CFEDRM
C#CC[C@H](OC(=O)CCc1ccccc1C(=O)[O-])C(C)C	ZINC000833363042	604786302	/nfs/dbraw/zinc/78/63/02/604786302.db2.gz	XPSHEGGZGVGQMR-HNNXBMFYSA-N	-1	0	288.343	2.909	20	30		CFEDRM
CCCCNN=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000826842707	604826501	/nfs/dbraw/zinc/82/65/01/604826501.db2.gz	UHQSXVKBGNRFEK-UHFFFAOYSA-N	-1	0	275.352	2.841	20	30		CFEDRM
O=C([O-])N1CCCc2cccc(CN=Nc3ccccn3)c21	ZINC000832019024	604828416	/nfs/dbraw/zinc/82/84/16/604828416.db2.gz	UVBWFWJOZAFDEI-UHFFFAOYSA-N	-1	0	296.330	2.958	20	30		CFEDRM
C=CCCCOC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825671303	604849461	/nfs/dbraw/zinc/84/94/61/604849461.db2.gz	LGPDTZSLRWCAIE-UHFFFAOYSA-N	-1	0	252.241	2.647	20	30		CFEDRM
Cc1ccc(C#N)c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1	ZINC000134985752	604871916	/nfs/dbraw/zinc/87/19/16/604871916.db2.gz	WUKSJLYBOPHVES-ZDUSSCGKSA-N	-1	0	287.363	2.589	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C1CC1	ZINC000833375251	604912260	/nfs/dbraw/zinc/91/22/60/604912260.db2.gz	LNMFCTYWRUIQBF-UHFFFAOYSA-N	-1	0	289.335	2.983	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC000236469840	604970045	/nfs/dbraw/zinc/97/00/45/604970045.db2.gz	UDGDYRZMKOMSQB-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(F)cc1C(=O)[O-])C1CC1	ZINC000162392249	604973381	/nfs/dbraw/zinc/97/33/81/604973381.db2.gz	NODSUZQDYKQWMV-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
CC(C)CON=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794923170	604988629	/nfs/dbraw/zinc/98/86/29/604988629.db2.gz	MVZQWJXPEISVKM-NSHDSACASA-N	-1	0	265.309	2.545	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833362948	605007463	/nfs/dbraw/zinc/00/74/63/605007463.db2.gz	SQUCQXUDOPUBTN-UHFFFAOYSA-N	-1	0	260.293	2.909	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000235785449	605008939	/nfs/dbraw/zinc/00/89/39/605008939.db2.gz	QYFKRNKCNOARER-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
C#CCCCCC(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000692414437	605009306	/nfs/dbraw/zinc/00/93/06/605009306.db2.gz	KMBCQARRNIJXEC-UHFFFAOYSA-N	-1	0	287.359	2.684	20	30		CFEDRM
C=CCCC[C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833374332	605021873	/nfs/dbraw/zinc/02/18/73/605021873.db2.gz	YAVCRILIIDELPP-GHMZBOCLSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)C#N	ZINC000833528904	605162023	/nfs/dbraw/zinc/16/20/23/605162023.db2.gz	MLFLPJUQCNTEOO-NSHDSACASA-N	-1	0	289.331	2.799	20	30		CFEDRM
C[C@H]1CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833606645	605164000	/nfs/dbraw/zinc/16/40/00/605164000.db2.gz	SQDIDFRXDNMRRB-WDEREUQCSA-N	-1	0	287.315	2.736	20	30		CFEDRM
N#Cc1c(Cl)cccc1SC[C@@H]1CC(C(=O)[O-])=NO1	ZINC000833760818	605265408	/nfs/dbraw/zinc/26/54/08/605265408.db2.gz	DHRHRJYIRYHLRE-ZETCQYMHSA-N	-1	0	296.735	2.533	20	30		CFEDRM
C=CC1CCN(C(=O)CN(C(=O)[O-])c2ccccc2)CC1	ZINC000823490706	605303003	/nfs/dbraw/zinc/30/30/03/605303003.db2.gz	JWIGYCNDADOFFB-UHFFFAOYSA-N	-1	0	288.347	2.596	20	30		CFEDRM
C=CCOc1cccc(CNc2cncc(C(=O)[O-])c2)c1	ZINC000833379064	605325012	/nfs/dbraw/zinc/32/50/12/605325012.db2.gz	XJPGXBBFKQWKHM-UHFFFAOYSA-N	-1	0	284.315	2.957	20	30		CFEDRM
C#Cc1cccc(N(CC)C[C@@H]2CC(C(=O)[O-])=C(C)O2)c1	ZINC000833367937	605359421	/nfs/dbraw/zinc/35/94/21/605359421.db2.gz	BRHTURXTQBTAAZ-HNNXBMFYSA-N	-1	0	285.343	2.642	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000833368635	605395211	/nfs/dbraw/zinc/39/52/11/605395211.db2.gz	NZANTFJVGZLJSG-UHFFFAOYSA-N	-1	0	263.297	2.816	20	30		CFEDRM
N#CCSCCCSCC1CCN(C(=O)[O-])CC1	ZINC000833966688	605408095	/nfs/dbraw/zinc/40/80/95/605408095.db2.gz	CTBURHAUHGIKHG-UHFFFAOYSA-N	-1	0	288.438	2.756	20	30		CFEDRM
N#Cc1ccc(Nc2ccc3c(c2)CCCN3C(=O)[O-])nn1	ZINC000833975720	605414826	/nfs/dbraw/zinc/41/48/26/605414826.db2.gz	FCEQJSPUBVPVNN-UHFFFAOYSA-N	-1	0	295.302	2.522	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])cc2)C1	ZINC000820200061	605416106	/nfs/dbraw/zinc/41/61/06/605416106.db2.gz	VFUQHZMJGHWNDH-OAHLLOKOSA-N	-1	0	258.321	2.510	20	30		CFEDRM
Cc1cc(C(=O)N[C@H](C#N)CC(C)C)ccc1NC(=O)[O-]	ZINC000829934323	605431860	/nfs/dbraw/zinc/43/18/60/605431860.db2.gz	KBPVWDMCOGIWLJ-LBPRGKRZSA-N	-1	0	289.335	2.753	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NN[C@H](C)CC#N	ZINC000824760779	605478168	/nfs/dbraw/zinc/47/81/68/605478168.db2.gz	XRQZWAQMCNYFMX-YPMHNXCESA-N	-1	0	280.372	2.567	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1	ZINC000833814355	605492773	/nfs/dbraw/zinc/49/27/73/605492773.db2.gz	AYGUSDMETBXCJM-MWLCHTKSSA-N	-1	0	293.754	2.694	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000779710676	605575199	/nfs/dbraw/zinc/57/51/99/605575199.db2.gz	AWRKKEGVTNKZRC-YWEYNIOJSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000833361609	605600742	/nfs/dbraw/zinc/60/07/42/605600742.db2.gz	DBLIJGLIBNUALL-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
C#CCCCCCC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000833361920	605628268	/nfs/dbraw/zinc/62/82/68/605628268.db2.gz	RYPYCRHTWISATE-UHFFFAOYSA-N	-1	0	279.380	2.816	20	30		CFEDRM
O=C([O-])NCCC=NOCc1ccc(C(F)(F)F)cc1	ZINC000834229495	605643716	/nfs/dbraw/zinc/64/37/16/605643716.db2.gz	KDQOTGRPMYDVLQ-UHFFFAOYSA-N	-1	0	290.241	2.866	20	30		CFEDRM
N#CCc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)cc1	ZINC000833968614	605678716	/nfs/dbraw/zinc/67/87/16/605678716.db2.gz	ULSIBKQDXCMANZ-CYBMUJFWSA-N	-1	0	273.336	2.555	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NO[C@@H]1CCCCO1	ZINC000834102404	605725249	/nfs/dbraw/zinc/72/52/49/605725249.db2.gz	DLUGZPXNUZNXJD-MRVWCRGKSA-N	-1	0	296.367	2.828	20	30		CFEDRM
C[C@@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])o1	ZINC000833402751	605729946	/nfs/dbraw/zinc/72/99/46/605729946.db2.gz	VHQWJMVVYFBJNT-JTQLQIEISA-N	-1	0	286.287	2.881	20	30		CFEDRM
N#Cc1ccc(NC(=O)Cc2cccc(NC(=O)[O-])c2)cc1	ZINC000833974466	605809088	/nfs/dbraw/zinc/80/90/88/605809088.db2.gz	INFKIHXSYXLBSQ-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ccc(Cl)cc1	ZINC000834168321	605857157	/nfs/dbraw/zinc/85/71/57/605857157.db2.gz	HNOPRQCQJWKZKG-SNVBAGLBSA-N	-1	0	267.716	2.928	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cc(F)c(F)cc1F	ZINC000834167986	605860965	/nfs/dbraw/zinc/86/09/65/605860965.db2.gz	FTWQYMYWOFDTCG-SECBINFHSA-N	-1	0	287.241	2.692	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000833970874	605947957	/nfs/dbraw/zinc/94/79/57/605947957.db2.gz	VXSNOPCHTPEMIK-JTQLQIEISA-N	-1	0	293.754	2.696	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC[C@H](CNC(=O)[O-])C1	ZINC000833970875	605948019	/nfs/dbraw/zinc/94/80/19/605948019.db2.gz	VXSNOPCHTPEMIK-SNVBAGLBSA-N	-1	0	293.754	2.696	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(C#N)cn1C	ZINC000833906158	606006098	/nfs/dbraw/zinc/00/60/98/606006098.db2.gz	KKQKLCWRYGFCEB-UHFFFAOYSA-N	-1	0	298.302	2.547	20	30		CFEDRM
O=C([O-])N[C@H]1CCCCCC1=NOCc1cccnc1	ZINC000834185956	606080404	/nfs/dbraw/zinc/08/04/04/606080404.db2.gz	RSWNELQYHJSUHE-LBPRGKRZSA-N	-1	0	277.324	2.555	20	30		CFEDRM
N#CCC1(COC(=O)Cc2ccccc2NC(=O)[O-])CC1	ZINC000833969502	606093193	/nfs/dbraw/zinc/09/31/93/606093193.db2.gz	UYGKBRYFOKHOJZ-UHFFFAOYSA-N	-1	0	288.303	2.556	20	30		CFEDRM
O=C(C=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1[O-]	ZINC000822929353	606857487	/nfs/dbraw/zinc/85/74/87/606857487.db2.gz	SQXWDFHWXDTVIH-ALCCZGGFSA-N	-1	0	298.327	2.530	20	30		CFEDRM
Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCCC(C)C)o1	ZINC000820242750	606988610	/nfs/dbraw/zinc/98/86/10/606988610.db2.gz	QNIUVDXRROTWNZ-UHFFFAOYSA-N	-1	0	291.359	2.777	20	30		CFEDRM
Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)C(C)C)c(C)c1	ZINC000049418053	617604070	/nfs/dbraw/zinc/60/40/70/617604070.db2.gz	HRQFSOHVNJRIBP-UHFFFAOYSA-N	-1	0	299.392	2.685	20	30		CFEDRM
Cc1ccc2c(CC(=O)[N-]S(=O)(=O)C(C)C)coc2c1	ZINC000049417703	617604231	/nfs/dbraw/zinc/60/42/31/617604231.db2.gz	NEICGCKEDFFNPD-UHFFFAOYSA-N	-1	0	295.360	2.978	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c(C)s1	ZINC000049501832	617607251	/nfs/dbraw/zinc/60/72/51/617607251.db2.gz	NQRNYIPTZOJLPY-HZGVNTEJSA-N	-1	0	273.379	2.666	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000890555820	617648497	/nfs/dbraw/zinc/64/84/97/617648497.db2.gz	DGCJIQKJBNMXTH-ZETCQYMHSA-N	-1	0	271.238	2.600	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000890556033	617648619	/nfs/dbraw/zinc/64/86/19/617648619.db2.gz	GCWAFDGEBXHCTO-SECBINFHSA-N	-1	0	269.703	2.975	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1	ZINC000186928545	617664158	/nfs/dbraw/zinc/66/41/58/617664158.db2.gz	TZQKIMDUTVVBEL-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccccn2)c1[O-]	ZINC000255371892	617687195	/nfs/dbraw/zinc/68/71/95/617687195.db2.gz	CCOAJFGVCAQBNB-CHHVJCJISA-N	-1	0	291.694	2.968	20	30		CFEDRM
C[C@]1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1	ZINC000255386437	617707567	/nfs/dbraw/zinc/70/75/67/617707567.db2.gz	RLZVRSJPCJOKRM-QVYJARAXSA-N	-1	0	298.726	2.942	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1ccc([O-])c(Cl)c1	ZINC000890648212	617733493	/nfs/dbraw/zinc/73/34/93/617733493.db2.gz	VFTVOOXWHRYPLV-NSHDSACASA-N	-1	0	263.724	2.674	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000890812060	617909680	/nfs/dbraw/zinc/90/96/80/617909680.db2.gz	QPRLRVHGAFNXCP-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
COCCN(C)N=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901233959	620768510	/nfs/dbraw/zinc/76/85/10/620768510.db2.gz	BCWZBUGUFGSORU-UHFFFAOYSA-N	-1	0	292.360	2.512	20	30		CFEDRM
CCOCCON=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901223728	620774046	/nfs/dbraw/zinc/77/40/46/620774046.db2.gz	JEHHODWIBYNWMH-UHFFFAOYSA-N	-1	0	293.344	2.987	20	30		CFEDRM
Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418118	618081040	/nfs/dbraw/zinc/08/10/40/618081040.db2.gz	WIIBCFAHWXEIOQ-UHFFFAOYSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CC1	ZINC000049417388	618081365	/nfs/dbraw/zinc/08/13/65/618081365.db2.gz	JXEXFTJHCFPKEA-UHFFFAOYSA-N	-1	0	285.340	2.552	20	30		CFEDRM
CN1CCc2cc(/C=C\C(=O)c3ccc(O)cc3[O-])ccc21	ZINC000255539191	618096622	/nfs/dbraw/zinc/09/66/22/618096622.db2.gz	LKNXVYOUZYGJFX-CLTKARDFSA-N	-1	0	295.338	2.986	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(C)(=O)=O)Cc1ccc(Cl)cc1	ZINC000091437165	618103728	/nfs/dbraw/zinc/10/37/28/618103728.db2.gz	NTNBQVRYURZGPD-SECBINFHSA-N	-1	0	289.784	2.825	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NN1CCCC[C@H]1C	ZINC000901261544	620777567	/nfs/dbraw/zinc/77/75/67/620777567.db2.gz	LGCJYYBXSSMYRM-LLVKDONJSA-N	-1	0	276.336	2.602	20	30		CFEDRM
CC(C)CCSCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176827623	618207491	/nfs/dbraw/zinc/20/74/91/618207491.db2.gz	XVNPZWIEVIHTNL-UHFFFAOYSA-N	-1	0	278.377	2.982	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(Cl)s1)C(=O)[O-]	ZINC000309670022	618230930	/nfs/dbraw/zinc/23/09/30/618230930.db2.gz	JKEUCYKGXFFVJE-ZETCQYMHSA-N	-1	0	260.746	2.578	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccco2)c1	ZINC000255629948	618235831	/nfs/dbraw/zinc/23/58/31/618235831.db2.gz	AATCYVXJQJJULO-XQRVVYSFSA-N	-1	0	254.245	2.509	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909449362	618327509	/nfs/dbraw/zinc/32/75/09/618327509.db2.gz	CGHXTJONYZSZBN-KRWDZBQOSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#CCN(CC#C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000091990888	618357727	/nfs/dbraw/zinc/35/77/27/618357727.db2.gz	JQRJQCQNVUTDOA-UHFFFAOYSA-N	-1	0	297.741	2.907	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000177202188	618370775	/nfs/dbraw/zinc/37/07/75/618370775.db2.gz	KISFCJFBPGUMMV-UHFFFAOYSA-N	-1	0	299.436	2.781	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(C2CC2)o1	ZINC000892495743	618386168	/nfs/dbraw/zinc/38/61/68/618386168.db2.gz	SSWRTZWLZJZUEI-LBPRGKRZSA-N	-1	0	295.298	2.513	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000909480362	618405432	/nfs/dbraw/zinc/40/54/32/618405432.db2.gz	BSKIKWLUDLXERQ-WFASDCNBSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1	ZINC000909492048	618418072	/nfs/dbraw/zinc/41/80/72/618418072.db2.gz	LIXASBMWWLUXRI-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C#Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1	ZINC000909495498	618424251	/nfs/dbraw/zinc/42/42/51/618424251.db2.gz	RWFMVYGZGLGGLS-OAHLLOKOSA-N	-1	0	299.370	2.631	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901451804	620817428	/nfs/dbraw/zinc/81/74/28/620817428.db2.gz	UDSQOLNLEPACBU-WCQYABFASA-N	-1	0	279.286	2.968	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000314436075	618808561	/nfs/dbraw/zinc/80/85/61/618808561.db2.gz	JXPHEKUXKGQMJM-KGLIPLIRSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cs2)C(=O)O1	ZINC000195333094	618949996	/nfs/dbraw/zinc/94/99/96/618949996.db2.gz	HINUXYOBBWKSNM-JDGPPOGSSA-N	-1	0	296.731	2.630	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2sccc2Cl)C(=O)O1	ZINC000195333067	618950088	/nfs/dbraw/zinc/95/00/88/618950088.db2.gz	MLQNVFHQQNYWHV-QAVQXKDTSA-N	-1	0	296.731	2.630	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccccc2)ccc1O	ZINC000199081254	618974902	/nfs/dbraw/zinc/97/49/02/618974902.db2.gz	VWHAAVRVLHCATE-VURMDHGXSA-N	-1	0	268.268	2.987	20	30		CFEDRM
N#CCc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000313437868	618986970	/nfs/dbraw/zinc/98/69/70/618986970.db2.gz	OKSFEMKMZOGDDK-OLZOCXBDSA-N	-1	0	286.331	2.582	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000094334682	619109310	/nfs/dbraw/zinc/10/93/10/619109310.db2.gz	OJUCWYPKZAINCO-BDAKNGLRSA-N	-1	0	299.252	2.637	20	30		CFEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000067000999	619147205	/nfs/dbraw/zinc/14/72/05/619147205.db2.gz	QSYUDTHUCBDZSJ-SNVBAGLBSA-N	-1	0	287.406	2.639	20	30		CFEDRM
CC(C)(C)c1ccc(CCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000048480082	619342829	/nfs/dbraw/zinc/34/28/29/619342829.db2.gz	YJSVZMRZHJWNFP-UHFFFAOYSA-N	-1	0	283.393	2.833	20	30		CFEDRM
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[N-]S(C)(=O)=O)c1	ZINC000048480953	619342914	/nfs/dbraw/zinc/34/29/14/619342914.db2.gz	OMXYDKNVTZIKRB-NSHDSACASA-N	-1	0	299.392	2.802	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C1CC1	ZINC000048518856	619348811	/nfs/dbraw/zinc/34/88/11/619348811.db2.gz	VHWKSPGNRPDKOC-NTMALXAHSA-N	-1	0	297.351	2.968	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)o1	ZINC000048518824	619349169	/nfs/dbraw/zinc/34/91/69/619349169.db2.gz	KFGDILNXMWRIBR-UHFFFAOYSA-N	-1	0	297.307	2.562	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccoc1	ZINC000048518916	619349185	/nfs/dbraw/zinc/34/91/85/619349185.db2.gz	YOMYTCVYCJUVMK-UHFFFAOYSA-N	-1	0	285.708	2.627	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c(C)o1	ZINC000048519122	619349546	/nfs/dbraw/zinc/34/95/46/619349546.db2.gz	QUXWLXNUTIFMIP-UHFFFAOYSA-N	-1	0	297.307	2.729	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519706	619349901	/nfs/dbraw/zinc/34/99/01/619349901.db2.gz	LPJLIFRYYZPHIG-UHFFFAOYSA-N	-1	0	279.361	2.787	20	30		CFEDRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)C	ZINC000048520074	619350907	/nfs/dbraw/zinc/35/09/07/619350907.db2.gz	IVCOSUPNDXKPTJ-UHFFFAOYSA-N	-1	0	298.408	2.756	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000793072687	619507111	/nfs/dbraw/zinc/50/71/11/619507111.db2.gz	VCFGLLZUQAGAAL-SNVBAGLBSA-N	-1	0	292.232	2.631	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1cccs1)C1CC1	ZINC000049135020	619534921	/nfs/dbraw/zinc/53/49/21/619534921.db2.gz	ZDGQOYFVJCWJBJ-MRVPVSSYSA-N	-1	0	273.379	2.830	20	30		CFEDRM
COCC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000840711022	619921293	/nfs/dbraw/zinc/92/12/93/619921293.db2.gz	UKONARSIIKDNBL-CXUHLZMHSA-N	-1	0	292.335	2.926	20	30		CFEDRM
CCc1ccsc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000121458209	619986776	/nfs/dbraw/zinc/98/67/76/619986776.db2.gz	LHKQNYAPMJFBCA-GFCCVEGCSA-N	-1	0	290.388	2.692	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000909638820	620009814	/nfs/dbraw/zinc/00/98/14/620009814.db2.gz	QRBUNZZJKPQWGU-LLVKDONJSA-N	-1	0	267.350	2.592	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1	ZINC000035028189	620030366	/nfs/dbraw/zinc/03/03/66/620030366.db2.gz	IRNDRZHDBQQDJP-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)c(CC)s1)C(=O)[O-]	ZINC000262861172	620082049	/nfs/dbraw/zinc/08/20/49/620082049.db2.gz	ISBLVUWPPQTERM-JTQLQIEISA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000262917676	620087811	/nfs/dbraw/zinc/08/78/11/620087811.db2.gz	NSXGJGSGZCMEPK-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CC[C@H](N[C@H](C)c1cccc(C#N)c1[O-])C(F)F	ZINC000866364443	620393033	/nfs/dbraw/zinc/39/30/33/620393033.db2.gz	BQGMUPSFVHZHPH-KCJUWKMLSA-N	-1	0	254.280	2.958	20	30		CFEDRM
CC[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])C(F)F	ZINC000866364445	620393230	/nfs/dbraw/zinc/39/32/30/620393230.db2.gz	BQGMUPSFVHZHPH-LDYMZIIASA-N	-1	0	254.280	2.958	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCOC23CCCC3)c1	ZINC000899231441	620533751	/nfs/dbraw/zinc/53/37/51/620533751.db2.gz	DFNHJVARTXDIJN-DWKHYPNZSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000899295156	620541130	/nfs/dbraw/zinc/54/11/30/620541130.db2.gz	IVCDQCZTGPQXDK-SNVBAGLBSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCCC1	ZINC000899296614	620541556	/nfs/dbraw/zinc/54/15/56/620541556.db2.gz	ZMRKJLYQPLGFPN-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000899297883	620542772	/nfs/dbraw/zinc/54/27/72/620542772.db2.gz	LFLZAQREVSOEGE-QWHCGFSZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncnc3sc(C)c(C)c32)c1=O	ZINC000899346211	620547313	/nfs/dbraw/zinc/54/73/13/620547313.db2.gz	GCRZZJLFAVEPRV-LLVKDONJSA-N	-1	0	298.371	2.670	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2cccc3c2CCCC3)c1=O	ZINC000899348488	620549226	/nfs/dbraw/zinc/54/92/26/620549226.db2.gz	AHBQHOIZZOBMNT-AWEZNQCLSA-N	-1	0	266.344	2.927	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(OC)cc2[O-])c(C)n1	ZINC000899362340	620553125	/nfs/dbraw/zinc/55/31/25/620553125.db2.gz	QMVWFURCUHEXMG-YVMONPNESA-N	-1	0	286.331	2.822	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000899825725	620603808	/nfs/dbraw/zinc/60/38/08/620603808.db2.gz	OWLCSLKFNKRCOE-KGLIPLIRSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c(Cl)c1	ZINC000899843123	620605832	/nfs/dbraw/zinc/60/58/32/620605832.db2.gz	OZOGCKGUAMBMSV-MNOVXSKESA-N	-1	0	291.734	2.761	20	30		CFEDRM
C=CCOC[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901807999	620921172	/nfs/dbraw/zinc/92/11/72/620921172.db2.gz	ABLSUMFAPPWOPO-AAEUAGOBSA-N	-1	0	289.331	2.739	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000902010259	620957376	/nfs/dbraw/zinc/95/73/76/620957376.db2.gz	CIGJEXKGDORXEQ-QGZVFWFLSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1	ZINC000902052345	620965201	/nfs/dbraw/zinc/96/52/01/620965201.db2.gz	ZGPDFPJNHDCCKN-SYTKJHMZSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000902074113	620968625	/nfs/dbraw/zinc/96/86/25/620968625.db2.gz	OWMVADKBOXKPOR-UHFFFAOYSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1ccccc1C(=O)[O-]	ZINC000902366621	621043009	/nfs/dbraw/zinc/04/30/09/621043009.db2.gz	AFJXCFKYZUDLSP-UHFFFAOYSA-N	-1	0	273.332	2.769	20	30		CFEDRM
C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C#N)c1	ZINC000902729363	621160024	/nfs/dbraw/zinc/16/00/24/621160024.db2.gz	IIBWJUDTWZVQNE-PXAZEXFGSA-N	-1	0	298.342	2.547	20	30		CFEDRM
CC1=C(C(=O)C2=C([O-])CC(C)(C)CC2=O)CCN1C(C)C	ZINC000902837641	621188361	/nfs/dbraw/zinc/18/83/61/621188361.db2.gz	MLWDNROEVXOQDC-UHFFFAOYSA-N	-1	0	291.391	2.518	20	30		CFEDRM
CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C#N)c1[O-]	ZINC000903262562	621303561	/nfs/dbraw/zinc/30/35/61/621303561.db2.gz	FMHAZZNUOIFNDW-CYBMUJFWSA-N	-1	0	298.371	2.833	20	30		CFEDRM
N#CCc1cccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904247074	621555546	/nfs/dbraw/zinc/55/55/46/621555546.db2.gz	YTROSOMGPHJFNF-KBPBESRZSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000905268290	621729960	/nfs/dbraw/zinc/72/99/60/621729960.db2.gz	HAGCKUZGRTYZSS-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
Cc1cc(N=NC(C)c2ccc(C(=O)[O-])cc2C)nc(C)n1	ZINC000905438942	621772413	/nfs/dbraw/zinc/77/24/13/621772413.db2.gz	ILVDTGVBAIYCRV-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
Cc1cc2c(cc1C)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)O2	ZINC000832905293	625537708	/nfs/dbraw/zinc/53/77/08/625537708.db2.gz	CTZQOXUMORWULH-VGOFMYFVSA-N	-1	0	283.283	2.946	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000907576800	622138283	/nfs/dbraw/zinc/13/82/83/622138283.db2.gz	LKMWBTIWAAKMRF-XPTSAGLGSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000907630532	622144166	/nfs/dbraw/zinc/14/41/66/622144166.db2.gz	ZQMOYZWLXQNPPB-UWVGGRQHSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000907635147	622144709	/nfs/dbraw/zinc/14/47/09/622144709.db2.gz	LQGBDPBLONGNGU-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])CCCCC1	ZINC000907653202	622147472	/nfs/dbraw/zinc/14/74/72/622147472.db2.gz	RHDTYGYXEHXBCJ-HNNXBMFYSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000907687701	622152666	/nfs/dbraw/zinc/15/26/66/622152666.db2.gz	GPEQUWOMGALGRS-QJPTWQEYSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-]	ZINC000907743224	622155749	/nfs/dbraw/zinc/15/57/49/622155749.db2.gz	ILAHWTWUXIXFBH-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CC1(CC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CCCCC1	ZINC000907746357	622162054	/nfs/dbraw/zinc/16/20/54/622162054.db2.gz	GPYAOWUZMWYXEX-IGCXYCKISA-N	-1	0	291.391	2.883	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000907747927	622162058	/nfs/dbraw/zinc/16/20/58/622162058.db2.gz	KOLYQPVPMAKPHN-GFCCVEGCSA-N	-1	0	293.367	2.515	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H](C=C)CC)C(=O)[O-]	ZINC000907781031	622162929	/nfs/dbraw/zinc/16/29/29/622162929.db2.gz	MIZIWLWHNDPZST-NEPJUHHUSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907982316	622181657	/nfs/dbraw/zinc/18/16/57/622181657.db2.gz	MDLWFUAMDLEGLD-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000908220971	622203084	/nfs/dbraw/zinc/20/30/84/622203084.db2.gz	ZNAFITWOSGXJKH-NTMALXAHSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908235126	622206703	/nfs/dbraw/zinc/20/67/03/622206703.db2.gz	OCAHOOQSTNJEEP-DZGCQCFKSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C#CCCCCC(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908289747	622212668	/nfs/dbraw/zinc/21/26/68/622212668.db2.gz	JJQZMRUHADBQAT-AWEZNQCLSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])C1	ZINC000908287438	622212968	/nfs/dbraw/zinc/21/29/68/622212968.db2.gz	DOGFPLHUQWRNIQ-CYBMUJFWSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1	ZINC000908289912	622214703	/nfs/dbraw/zinc/21/47/03/622214703.db2.gz	VAIXDFKSPNQOMM-MRXNPFEDSA-N	-1	0	299.370	2.679	20	30		CFEDRM
C#CCC1(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CCCCC1	ZINC000908382870	622224299	/nfs/dbraw/zinc/22/42/99/622224299.db2.gz	MFRIQEMILIISDT-KGLIPLIRSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1cccc([C@@H](C)CC)c1)C(=O)[O-]	ZINC000908626903	622250229	/nfs/dbraw/zinc/25/02/29/622250229.db2.gz	FBRSOYZKTZXBDR-SMDDNHRTSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NCCCC(=O)[O-]	ZINC000908624087	622250230	/nfs/dbraw/zinc/25/02/30/622250230.db2.gz	NYLRSNHPIDXQOW-UHFFFAOYSA-N	-1	0	279.361	2.559	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ncc(CC)s1)C(=O)[O-]	ZINC000908663076	622256662	/nfs/dbraw/zinc/25/66/62/622256662.db2.gz	RHVIUBJLEAUIHC-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ncccc1CC)C(=O)[O-]	ZINC000908669691	622258572	/nfs/dbraw/zinc/25/85/72/622258572.db2.gz	OVPDPRKKRSCPAM-GFCCVEGCSA-N	-1	0	291.351	2.575	20	30		CFEDRM
C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909122870	622315225	/nfs/dbraw/zinc/31/52/25/622315225.db2.gz	JMSWATJFFBKDPU-AWEZNQCLSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909731136	622347328	/nfs/dbraw/zinc/34/73/28/622347328.db2.gz	DRBIJGQRCSKUPI-UHFFFAOYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C1CCC(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000909854414	622357990	/nfs/dbraw/zinc/35/79/90/622357990.db2.gz	KQDJDGMFBBPDDL-ZDUSSCGKSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000909833655	622359619	/nfs/dbraw/zinc/35/96/19/622359619.db2.gz	NXYCUGFBSJZDBY-PHIMTYICSA-N	-1	0	291.372	2.558	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])CC1	ZINC000909864799	622360792	/nfs/dbraw/zinc/36/07/92/622360792.db2.gz	CFWCZLNRRUDWGZ-GWCFXTLKSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C#CCC1(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])CCCCC1	ZINC000909996337	622384261	/nfs/dbraw/zinc/38/42/61/622384261.db2.gz	QEEUFQDTKSCXDD-BBRMVZONSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC000910054259	622392642	/nfs/dbraw/zinc/39/26/42/622392642.db2.gz	LHNFMOPUPBZYCL-KGLIPLIRSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC000910046427	622396579	/nfs/dbraw/zinc/39/65/79/622396579.db2.gz	OXKYEFYLGLCZLP-HNNXBMFYSA-N	-1	0	285.343	2.551	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910066049	622400105	/nfs/dbraw/zinc/40/01/05/622400105.db2.gz	JZKJEDHGEVNUIC-KRWDZBQOSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#Cc1ccc(C(=O)N2CCC[C@@]2(CCC)C(=O)[O-])cc1	ZINC000910119382	622407014	/nfs/dbraw/zinc/40/70/14/622407014.db2.gz	ZOELCSQNJNQTGE-KRWDZBQOSA-N	-1	0	285.343	2.527	20	30		CFEDRM
C#CCCCCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000910217577	622412705	/nfs/dbraw/zinc/41/27/05/622412705.db2.gz	DLOSMEHZSFSPPV-INIZCTEOSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910291605	622429898	/nfs/dbraw/zinc/42/98/98/622429898.db2.gz	KFXIHGQICNEGPB-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910296076	622431069	/nfs/dbraw/zinc/43/10/69/622431069.db2.gz	ZYIQDMQJDCKSKZ-OCCSQVGLSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000910344517	622433549	/nfs/dbraw/zinc/43/35/49/622433549.db2.gz	DMGFXPIEHCVJBJ-UHFFFAOYSA-N	-1	0	250.254	2.589	20	30		CFEDRM
N#Cc1cccc(N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1	ZINC000910458637	622446374	/nfs/dbraw/zinc/44/63/74/622446374.db2.gz	YNMFTTPKVZSSIR-DZGCQCFKSA-N	-1	0	299.374	2.813	20	30		CFEDRM
C#CCCCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC000910510014	622451878	/nfs/dbraw/zinc/45/18/78/622451878.db2.gz	AZIDWKCVOCPHRB-UHFFFAOYSA-N	-1	0	281.396	2.775	20	30		CFEDRM
C#CCCCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910733673	622471396	/nfs/dbraw/zinc/47/13/96/622471396.db2.gz	LKHZQCWSWYRINL-UHFFFAOYSA-N	-1	0	292.360	2.851	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-]	ZINC000910915456	622486012	/nfs/dbraw/zinc/48/60/12/622486012.db2.gz	MCXOGOKAOYEVEK-AWEZNQCLSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(OC)cc1C)C(=O)[O-]	ZINC000910914140	622486016	/nfs/dbraw/zinc/48/60/16/622486016.db2.gz	ILHKMKXKZQAXHO-AWEZNQCLSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C=C1CCCCC1)C(=O)[O-]	ZINC000910914690	622486114	/nfs/dbraw/zinc/48/61/14/622486114.db2.gz	MUVJHLBZHMUXFK-ZDUSSCGKSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000910913912	622486201	/nfs/dbraw/zinc/48/62/01/622486201.db2.gz	FYERTQJBZNKZNZ-HUUCEWRRSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000910914666	622486341	/nfs/dbraw/zinc/48/63/41/622486341.db2.gz	MKOYDSXMOMRZTD-DZGCQCFKSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)CC=C)C(=O)[O-]	ZINC000910916582	622486554	/nfs/dbraw/zinc/48/65/54/622486554.db2.gz	ZAOWUHMUKBWGPF-NSHDSACASA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccn1C(C)C)C(=O)[O-]	ZINC000910916367	622486580	/nfs/dbraw/zinc/48/65/80/622486580.db2.gz	VHQMRVINRSITQX-LBPRGKRZSA-N	-1	0	278.352	2.608	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccccc1C)C(=O)[O-]	ZINC000910915896	622486831	/nfs/dbraw/zinc/48/68/31/622486831.db2.gz	RJURUABGJFCUPI-ZDUSSCGKSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(C)noc1C(C)C)C(=O)[O-]	ZINC000910918407	622487125	/nfs/dbraw/zinc/48/71/25/622487125.db2.gz	JNTINWHFABBCJF-LLVKDONJSA-N	-1	0	294.351	2.646	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1oc(SC)cc1C)C(=O)[O-]	ZINC000910921139	622487201	/nfs/dbraw/zinc/48/72/01/622487201.db2.gz	BPXOJEZLQNBYEX-JTQLQIEISA-N	-1	0	297.376	2.849	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCO[C@@H](CCC)C1)C(=O)[O-]	ZINC000910918086	622487221	/nfs/dbraw/zinc/48/72/21/622487221.db2.gz	XJSUYYOBQMXVAA-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000910923700	622488199	/nfs/dbraw/zinc/48/81/99/622488199.db2.gz	WBKLJAWNHJDQPH-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000911612450	622530203	/nfs/dbraw/zinc/53/02/03/622530203.db2.gz	UOHZEJFRZSYGSG-JTQLQIEISA-N	-1	0	279.723	2.570	20	30		CFEDRM
C[C@@H]1CCCCN1[N-]C(=O)C(F)(F)c1ccccc1C#N	ZINC000912147490	622648721	/nfs/dbraw/zinc/64/87/21/622648721.db2.gz	SVFPMCJRYDDQQE-LLVKDONJSA-N	-1	0	293.317	2.556	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]Oc2ccc(F)cc2)CC2CCC1CC2	ZINC000912258890	622667408	/nfs/dbraw/zinc/66/74/08/622667408.db2.gz	RVMQCKCQDJZBIY-ZEPSKSRBSA-N	-1	0	288.322	2.956	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000820982450	622812012	/nfs/dbraw/zinc/81/20/12/622812012.db2.gz	KXONOGKHUQMVLR-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
Cc1nc(C)c(/C=C/C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000821038320	622828653	/nfs/dbraw/zinc/82/86/53/622828653.db2.gz	IBBQYDLMOUPQFT-AATRIKPKSA-N	-1	0	288.259	2.801	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045099919	622965325	/nfs/dbraw/zinc/96/53/25/622965325.db2.gz	KIWYYBXOKYWABJ-NSHDSACASA-N	-1	0	297.351	2.968	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](OCCC)c1ccc(F)cc1C	ZINC000821891560	623003126	/nfs/dbraw/zinc/00/31/26/623003126.db2.gz	GVLQDKPMGSOGRW-CQSZACIVSA-N	-1	0	281.327	2.836	20	30		CFEDRM
N#CCOc1cccc(NC(=O)c2c([O-])cccc2F)c1	ZINC000228838541	623164685	/nfs/dbraw/zinc/16/46/85/623164685.db2.gz	MGVNVIUURWABMG-UHFFFAOYSA-N	-1	0	286.262	2.686	20	30		CFEDRM
CCCCCCC[C@H](C)CNC(=O)c1cc(=O)n(C)[n-]1	ZINC000823062753	623226223	/nfs/dbraw/zinc/22/62/23/623226223.db2.gz	OOLCGEDYTLITMA-LBPRGKRZSA-N	-1	0	281.400	2.852	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)c1cccc(F)c1)C(=O)[O-]	ZINC000823368903	623300111	/nfs/dbraw/zinc/30/01/11/623300111.db2.gz	AVONERQVIONPMY-CFRMROPGSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(F)cc1	ZINC000824033555	623437438	/nfs/dbraw/zinc/43/74/38/623437438.db2.gz	OMVVDVASUWIDPT-VHSXEESVSA-N	-1	0	269.341	2.929	20	30		CFEDRM
[O-]c1c(Br)cccc1C=NOCC(F)F	ZINC000758899005	623517079	/nfs/dbraw/zinc/51/70/79/623517079.db2.gz	BWSRPRCIQLIASC-UHFFFAOYSA-N	-1	0	280.068	2.770	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(O)cc(O)c2)cc1	ZINC000152685604	623755045	/nfs/dbraw/zinc/75/50/45/623755045.db2.gz	GKUPIWRIFVKBNW-ZZXKWVIFSA-N	-1	0	284.267	2.692	20	30		CFEDRM
CCC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000914533448	623892538	/nfs/dbraw/zinc/89/25/38/623892538.db2.gz	UYYBLFQIYZXKPR-GFCCVEGCSA-N	-1	0	293.330	2.675	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1c(F)cccc1Cl	ZINC000032110405	623908943	/nfs/dbraw/zinc/90/89/43/623908943.db2.gz	JIDGHGNTJSRGPJ-UHFFFAOYSA-N	-1	0	257.692	2.552	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC(C)C)CCC2	ZINC000835004551	623928206	/nfs/dbraw/zinc/92/82/06/623928206.db2.gz	RMESVCNQAJOXBL-UHFFFAOYSA-N	-1	0	251.282	2.752	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835008779	623931262	/nfs/dbraw/zinc/93/12/62/623931262.db2.gz	IYVNLFQRGPZOPV-RNCFNFMXSA-N	-1	0	282.315	2.983	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cccc(Cl)c2[O-])C1	ZINC000827650717	624052186	/nfs/dbraw/zinc/05/21/86/624052186.db2.gz	VNVCSUVXFHQKDZ-CYBMUJFWSA-N	-1	0	250.729	2.781	20	30		CFEDRM
C[C@]1(C(=O)Nc2cc(C#N)ccc2[O-])CC=CCC1	ZINC000827829256	624105114	/nfs/dbraw/zinc/10/51/14/624105114.db2.gz	KQCRBRHJYCADGP-HNNXBMFYSA-N	-1	0	256.305	2.949	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(F)(F)F)CCC2)c1	ZINC000827830037	624105121	/nfs/dbraw/zinc/10/51/21/624105121.db2.gz	TYTGPRJJNVPHOP-UHFFFAOYSA-N	-1	0	284.237	2.935	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC[C@H](C)c1ccccc1	ZINC000828158090	624189377	/nfs/dbraw/zinc/18/93/77/624189377.db2.gz	CMRIHPSLTJAFCO-ZDUSSCGKSA-N	-1	0	275.348	2.670	20	30		CFEDRM
CC(N=Nc1ccccn1)c1ccc(CC(=O)[O-])cc1	ZINC000915944394	624190548	/nfs/dbraw/zinc/19/05/48/624190548.db2.gz	QQUCNXJOEHDEHE-UHFFFAOYSA-N	-1	0	269.304	2.545	20	30		CFEDRM
Cc1n[nH]cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000915938607	624194960	/nfs/dbraw/zinc/19/49/60/624194960.db2.gz	CBEZLRVXTZMMDM-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNc1ccccn1)CCC2	ZINC000915943377	624195066	/nfs/dbraw/zinc/19/50/66/624195066.db2.gz	AYWRTJUEEJHMKF-UHFFFAOYSA-N	-1	0	285.303	2.834	20	30		CFEDRM
Cc1cc([O-])cc2c1C(=O)C(=NNc1ccc(C#N)cc1)O2	ZINC000915962173	624202552	/nfs/dbraw/zinc/20/25/52/624202552.db2.gz	NZVNKILGOVXTEX-UHFFFAOYSA-N	-1	0	293.282	2.573	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc2ccccc2c1	ZINC000916282963	624233085	/nfs/dbraw/zinc/23/30/85/624233085.db2.gz	VTQKMGNDHSRMKP-UHFFFAOYSA-N	-1	0	293.330	2.875	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc2c(c1)CCCC2	ZINC000916282565	624235868	/nfs/dbraw/zinc/23/58/68/624235868.db2.gz	IIGWIUDGCYZMMQ-UHFFFAOYSA-N	-1	0	297.362	2.601	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000916869701	624289457	/nfs/dbraw/zinc/28/94/57/624289457.db2.gz	NTVAHVQVSGMZBK-INIZCTEOSA-N	-1	0	298.386	2.974	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CCC)c(C)s1	ZINC000916919098	624291830	/nfs/dbraw/zinc/29/18/30/624291830.db2.gz	YXRZYLJIJSBIIT-LBPRGKRZSA-N	-1	0	290.388	2.634	20	30		CFEDRM
Cc1[n-][nH]c(=O)c1Sc1ccc(C#N)c(C(F)(F)F)c1	ZINC000917413291	624340596	/nfs/dbraw/zinc/34/05/96/624340596.db2.gz	ZROPSLPDGOMAON-JTQLQIEISA-N	-1	0	299.277	2.543	20	30		CFEDRM
Cc1cc(C)c(C=NNc2[n-]cnc3ncnc2-3)cc1C	ZINC000917555101	624359450	/nfs/dbraw/zinc/35/94/50/624359450.db2.gz	PIJOMUDCUSPGJU-UHFFFAOYSA-N	-1	0	280.335	2.724	20	30		CFEDRM
CCC/C=C\C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919241715	624545528	/nfs/dbraw/zinc/54/55/28/624545528.db2.gz	CWTKIEIXVZMMGU-ISALQUGTSA-N	-1	0	292.360	2.527	20	30		CFEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)C#CC(C)(C)C)c1	ZINC000830332050	624711270	/nfs/dbraw/zinc/71/12/70/624711270.db2.gz	NJPVFZRPTLXGDP-UHFFFAOYSA-N	-1	0	277.295	2.722	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000175325466	624947718	/nfs/dbraw/zinc/94/77/18/624947718.db2.gz	CFRHDGPBBVLZDW-SNAWJCMRSA-N	-1	0	292.285	2.917	20	30		CFEDRM
Cn1ncc2c1CC/C(=C\c1cc(F)c([O-])c(F)c1)C2=O	ZINC000175324243	624947824	/nfs/dbraw/zinc/94/78/24/624947824.db2.gz	WWYORPPLBDACLX-RUDMXATFSA-N	-1	0	290.269	2.616	20	30		CFEDRM
CC[C@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179740816	624976087	/nfs/dbraw/zinc/97/60/87/624976087.db2.gz	MFVCGKUWQQPECF-HNNXBMFYSA-N	-1	0	288.347	2.940	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000238025403	624999333	/nfs/dbraw/zinc/99/93/33/624999333.db2.gz	KZUQWYXCFSQNNW-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)o1	ZINC000069612285	625182596	/nfs/dbraw/zinc/18/25/96/625182596.db2.gz	YTSOPXWHSIVTEV-UHFFFAOYSA-N	-1	0	299.735	2.768	20	30		CFEDRM
CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000069641690	625197769	/nfs/dbraw/zinc/19/77/69/625197769.db2.gz	SWUJPEXEWYZQFB-UHFFFAOYSA-N	-1	0	274.150	2.720	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832157056	625233851	/nfs/dbraw/zinc/23/38/51/625233851.db2.gz	KZLFXTZOMWTLRY-UITAMQMPSA-N	-1	0	271.272	2.618	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000073087380	625772256	/nfs/dbraw/zinc/77/22/56/625772256.db2.gz	YHTHXHKUDVTDLQ-SECBINFHSA-N	-1	0	273.329	2.763	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000186018786	625818221	/nfs/dbraw/zinc/81/82/21/625818221.db2.gz	ZNYOOYXDGXDZHX-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc(F)n1	ZINC000814927925	625907432	/nfs/dbraw/zinc/90/74/32/625907432.db2.gz	NLEYUSJSGANIQY-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834913176	625920880	/nfs/dbraw/zinc/92/08/80/625920880.db2.gz	VOFOWIZNJQIZGI-ZWNOBZJWSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CC[C@H](NN=Cc1cc2ccccc2cc1OC)C(=O)[O-]	ZINC000834980963	625944408	/nfs/dbraw/zinc/94/44/08/625944408.db2.gz	FOUPMYJQNADJLR-AWEZNQCLSA-N	-1	0	286.331	2.635	20	30		CFEDRM
C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(C(=O)[O-])nc2)o1	ZINC000835007431	625954408	/nfs/dbraw/zinc/95/44/08/625954408.db2.gz	TWZSDARZEWTVPV-CABZTGNLSA-N	-1	0	285.303	2.942	20	30		CFEDRM
CO[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C12CCC2	ZINC000835009363	625956131	/nfs/dbraw/zinc/95/61/31/625956131.db2.gz	RMWYWVLNJXIAMP-ZDUSSCGKSA-N	-1	0	292.310	2.881	20	30		CFEDRM
N#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1	ZINC000921548300	625984635	/nfs/dbraw/zinc/98/46/35/625984635.db2.gz	UOMYOBPBARENFN-JTQLQIEISA-N	-1	0	298.264	2.622	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000186421594	626060334	/nfs/dbraw/zinc/06/03/34/626060334.db2.gz	GBTOLDJYAADWPQ-DAFODLJHSA-N	-1	0	288.234	2.731	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(F)c1	ZINC000073837483	626395487	/nfs/dbraw/zinc/39/54/87/626395487.db2.gz	MKCQLMGVJQDYFK-UHFFFAOYSA-N	-1	0	273.329	2.649	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccco1	ZINC000073837784	626396115	/nfs/dbraw/zinc/39/61/15/626396115.db2.gz	LWQRVNGAFAMDDP-BQYQJAHWSA-N	-1	0	271.338	2.768	20	30		CFEDRM
CC/C(C)=C\C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000838042343	626484474	/nfs/dbraw/zinc/48/44/74/626484474.db2.gz	WPCWKWODINVXEJ-GWZUUTHWSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)cc2F)n1	ZINC000758069939	626575629	/nfs/dbraw/zinc/57/56/29/626575629.db2.gz	OVPQKQUREAOCPO-DDWFUMEVSA-N	-1	0	290.273	2.880	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CC(CC)CC	ZINC000758523806	626597113	/nfs/dbraw/zinc/59/71/13/626597113.db2.gz	BYQADHKMFWOFBU-UHFFFAOYSA-N	-1	0	287.425	2.637	20	30		CFEDRM
Cc1ncsc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091138	626628369	/nfs/dbraw/zinc/62/83/69/626628369.db2.gz	PDFIZTUBINUIBU-PLNGDYQASA-N	-1	0	290.300	2.961	20	30		CFEDRM
Cc1cc(C)c(CN=Nc2ccccc2C(=O)[O-])[nH]1	ZINC000760240563	626722487	/nfs/dbraw/zinc/72/24/87/626722487.db2.gz	GCFQEPHEBNLOPD-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
CCCC[C@H](CC)CCN=Nc1nnc(C)c(=O)[n-]1	ZINC000760250088	626724385	/nfs/dbraw/zinc/72/43/85/626724385.db2.gz	PHWILNSHHUGREO-NSHDSACASA-N	-1	0	265.361	2.890	20	30		CFEDRM
Cn1cnc2cc(C=NNc3ccccc3C(=O)[O-])ccc21	ZINC000761256858	626819244	/nfs/dbraw/zinc/81/92/44/626819244.db2.gz	YFRRIAQLTNDRTH-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCCC(C)C	ZINC000762048944	626884269	/nfs/dbraw/zinc/88/42/69/626884269.db2.gz	YWSZRBOYSJYZNO-UHFFFAOYSA-N	-1	0	255.358	2.692	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3c2cccc3F)nc1	ZINC000763372070	626984064	/nfs/dbraw/zinc/98/40/64/626984064.db2.gz	QIIBGEWEADPSKG-UHFFFAOYSA-N	-1	0	285.278	2.681	20	30		CFEDRM
CC(N=Nc1nccnc1Cl)c1cccc(C(=O)[O-])c1	ZINC000764693246	627085040	/nfs/dbraw/zinc/08/50/40/627085040.db2.gz	UWQZQCFEQHVAPW-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCCC2CCOCC2)cc1	ZINC000764892337	627104924	/nfs/dbraw/zinc/10/49/24/627104924.db2.gz	WBSQBGXXEGNFNJ-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
Cn1ccc(C/N=C\c2cc(Br)ccc2O)n1	ZINC000765498777	627143158	/nfs/dbraw/zinc/14/31/58/627143158.db2.gz	DTWDHLAQEMOEMG-AUWJEWJLSA-N	-1	0	294.152	2.507	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNCCOCC(F)(F)F	ZINC000765592852	627148662	/nfs/dbraw/zinc/14/86/62/627148662.db2.gz	FOBRRNSYPFZNLV-UHFFFAOYSA-N	-1	0	296.676	2.548	20	30		CFEDRM
Cn1nccc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1Cl	ZINC000766034931	627173265	/nfs/dbraw/zinc/17/32/65/627173265.db2.gz	VFKMXYXXAMIFHY-PLNGDYQASA-N	-1	0	290.706	2.668	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000766432757	627203252	/nfs/dbraw/zinc/20/32/52/627203252.db2.gz	ZWCITOWPLKBIGS-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cscn1	ZINC000767901306	627293467	/nfs/dbraw/zinc/29/34/67/627293467.db2.gz	RJHRJLSPOMNAIW-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc3c(c2)COC3)c1	ZINC000769773768	627473482	/nfs/dbraw/zinc/47/34/82/627473482.db2.gz	KGKKUJDKZBBVHZ-CAOOACKPSA-N	-1	0	298.298	2.950	20	30		CFEDRM
Cc1nc(C(=O)Nc2cc(C#N)ccc2[O-])sc1C	ZINC000770589873	627532706	/nfs/dbraw/zinc/53/27/06/627532706.db2.gz	UGJGNOFXYCFIMY-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
C[C@@H](C#N)CNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000771109200	627578309	/nfs/dbraw/zinc/57/83/09/627578309.db2.gz	YOGJRTVTILQIFD-ZETCQYMHSA-N	-1	0	272.135	2.782	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1ccc(C(=O)[O-])cc1	ZINC000773161248	627790836	/nfs/dbraw/zinc/79/08/36/627790836.db2.gz	QOMKMIVSMRJHHL-AUWJEWJLSA-N	-1	0	290.278	2.749	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1	ZINC000774041484	627881419	/nfs/dbraw/zinc/88/14/19/627881419.db2.gz	YHSZHZOIMWOEIB-UHFFFAOYSA-N	-1	0	283.258	2.758	20	30		CFEDRM
CO/C(=C\c1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000774083597	627885931	/nfs/dbraw/zinc/88/59/31/627885931.db2.gz	ZJOCMWUZXLCRRM-YBEGLDIGSA-N	-1	0	294.310	2.890	20	30		CFEDRM
O=C([O-])c1ccc(C=NOC2CCOCC2)c(Cl)c1	ZINC000774451736	627927998	/nfs/dbraw/zinc/92/79/98/627927998.db2.gz	DAQPUHATDNGRCC-UHFFFAOYSA-N	-1	0	283.711	2.568	20	30		CFEDRM
CCC(CC)CNN=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000774461810	627930058	/nfs/dbraw/zinc/93/00/58/627930058.db2.gz	KMXLPFHGNSXBCV-UHFFFAOYSA-N	-1	0	295.339	2.669	20	30		CFEDRM
CCCCCCCCC[N@H+](C)Cc1n[nH]c(=O)[n-]1	ZINC000774566420	627937907	/nfs/dbraw/zinc/93/79/07/627937907.db2.gz	OFIGEHANJJLNJJ-UHFFFAOYSA-N	-1	0	254.378	2.693	20	30		CFEDRM
CCCCCCCC[C@H](C)CC(=O)[N-]S(C)(=O)=O	ZINC000774639057	627944020	/nfs/dbraw/zinc/94/40/20/627944020.db2.gz	ICCXCOSVSLABJL-LBPRGKRZSA-N	-1	0	277.430	2.839	20	30		CFEDRM
N#CCc1ccnc(NC(=O)c2cccc(Cl)c2[O-])c1	ZINC000775777811	628066732	/nfs/dbraw/zinc/06/67/32/628066732.db2.gz	MNYDIJSCVMVZCZ-UHFFFAOYSA-N	-1	0	287.706	2.759	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cncs1	ZINC000776433816	628150384	/nfs/dbraw/zinc/15/03/84/628150384.db2.gz	KQGAKSAJPORKHX-RQOWECAXSA-N	-1	0	276.273	2.653	20	30		CFEDRM
COc1cccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000779358298	628376583	/nfs/dbraw/zinc/37/65/83/628376583.db2.gz	OSZBEJNGCJBUCZ-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@@H]1CCCOC1	ZINC000779783199	628403203	/nfs/dbraw/zinc/40/32/03/628403203.db2.gz	LMWIKFWUSISLHR-GFCCVEGCSA-N	-1	0	292.335	2.608	20	30		CFEDRM
CCC(=NNc1ccncc1)c1cc(C(=O)[O-])ccc1F	ZINC000779810088	628409436	/nfs/dbraw/zinc/40/94/36/628409436.db2.gz	UNPTUBLBEWWZPD-UHFFFAOYSA-N	-1	0	287.294	2.567	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000781127859	628523783	/nfs/dbraw/zinc/52/37/83/628523783.db2.gz	QRLMLRQFJWNIJD-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
Cc1nc(F)ccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000782111210	628605778	/nfs/dbraw/zinc/60/57/78/628605778.db2.gz	NXAVSYVOZIXZAB-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)Cc2ccccc2)n1	ZINC000783769964	628744518	/nfs/dbraw/zinc/74/45/18/628744518.db2.gz	BZDKIUGZVJMPQV-LLVKDONJSA-N	-1	0	270.336	2.767	20	30		CFEDRM
Cc1ccc(N=NCc2ccc(C(=O)[O-])cc2Cl)nn1	ZINC000783842797	628749022	/nfs/dbraw/zinc/74/90/22/628749022.db2.gz	XXAWSLUTXJXDEW-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
O=C([O-])c1ccc(C=NO[C@@H]2CCCCO2)c(Cl)c1	ZINC000783862185	628750642	/nfs/dbraw/zinc/75/06/42/628750642.db2.gz	JJSVDLLLCSEHIZ-GFCCVEGCSA-N	-1	0	283.711	2.915	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1CC	ZINC000786652779	628972379	/nfs/dbraw/zinc/97/23/79/628972379.db2.gz	AUCIEXMZIUVOTE-GFCCVEGCSA-N	-1	0	295.404	2.656	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cncs2)c1	ZINC000787171957	628997465	/nfs/dbraw/zinc/99/74/65/628997465.db2.gz	GHKDSRQRMNSQPT-OWOJBTEDSA-N	-1	0	265.315	2.799	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1cn2ccccc2n1	ZINC000788423083	629064711	/nfs/dbraw/zinc/06/47/11/629064711.db2.gz	PWAMMFULHKLGME-UHFFFAOYSA-N	-1	0	294.314	2.869	20	30		CFEDRM
CCc1cccc(Cl)c1C=NNc1nnc(C)c(=O)[n-]1	ZINC000788702629	629093756	/nfs/dbraw/zinc/09/37/56/629093756.db2.gz	IGBHKVNAJIUOTB-UHFFFAOYSA-N	-1	0	291.742	2.547	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC1CCOCC1	ZINC000788722361	629094803	/nfs/dbraw/zinc/09/48/03/629094803.db2.gz	RCZHAFKAACYYQH-UHFFFAOYSA-N	-1	0	292.335	2.608	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNCCc1ccccn1	ZINC000789127115	629128768	/nfs/dbraw/zinc/12/87/68/629128768.db2.gz	KCHRRHRBTCDFMF-UHFFFAOYSA-N	-1	0	293.729	2.746	20	30		CFEDRM
Cc1cccnc1N=NCc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000790187466	629217440	/nfs/dbraw/zinc/21/74/40/629217440.db2.gz	VXHKUFHEWCBLEH-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
Cn1ccnc1NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000790299270	629226745	/nfs/dbraw/zinc/22/67/45/629226745.db2.gz	APOUUTMAFAPYNE-UHFFFAOYSA-N	-1	0	285.134	2.879	20	30		CFEDRM
C[C@]1(C=NNc2cnnc([O-])c2Cl)CCCS1	ZINC000792957363	629470775	/nfs/dbraw/zinc/47/07/75/629470775.db2.gz	CGZJCJOFAKNQPH-SNVBAGLBSA-N	-1	0	272.761	2.519	20	30		CFEDRM
CC[C@H](NN=C(C)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000793054173	629480067	/nfs/dbraw/zinc/48/00/67/629480067.db2.gz	CWUHBNZOPMUTLJ-JTQLQIEISA-N	-1	0	283.397	2.752	20	30		CFEDRM
CC[C@@H](NN=Cc1c(C)oc2ccccc12)C(=O)[O-]	ZINC000793054560	629480797	/nfs/dbraw/zinc/48/07/97/629480797.db2.gz	GTSBSCJPGSMBDT-GFCCVEGCSA-N	-1	0	260.293	2.528	20	30		CFEDRM
CCCC(=NN[C@H](CC)C(=O)[O-])c1cccc([N+](=O)[O-])c1	ZINC000793056122	629480823	/nfs/dbraw/zinc/48/08/23/629480823.db2.gz	CVTRKKVJHOQXDC-GFCCVEGCSA-N	-1	0	293.323	2.552	20	30		CFEDRM
CC[C@H](NN=C1CC(c2ccccc2C)C1)C(=O)[O-]	ZINC000793054565	629480924	/nfs/dbraw/zinc/48/09/24/629480924.db2.gz	GVQBXPSMADJWMX-IAXJKZSUSA-N	-1	0	260.337	2.681	20	30		CFEDRM
CC[C@@H](NN=C1CCSc2cc(C)c(C)cc21)C(=O)[O-]	ZINC000793058492	629481628	/nfs/dbraw/zinc/48/16/28/629481628.db2.gz	URNQEIFMCWOERQ-GFCCVEGCSA-N	-1	0	292.404	2.956	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(C)c(OC)c(Cl)c1)C(=O)[O-]	ZINC000793072506	629482880	/nfs/dbraw/zinc/48/28/80/629482880.db2.gz	SWPDZLQVCMWRIC-GFCCVEGCSA-N	-1	0	298.770	2.834	20	30		CFEDRM
CC[C@H](NN=C1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000793071022	629482911	/nfs/dbraw/zinc/48/29/11/629482911.db2.gz	BYNXIYGKKQXWRF-HNNXBMFYSA-N	-1	0	280.327	2.872	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H](Oc2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793070900	629482931	/nfs/dbraw/zinc/48/29/31/629482931.db2.gz	FYEHZHBCNQVEER-GXTWGEPZSA-N	-1	0	290.363	2.673	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(-c2ccccn2)c1)C(=O)[O-]	ZINC000793073864	629483631	/nfs/dbraw/zinc/48/36/31/629483631.db2.gz	XICGBCXUTMTPGW-AWEZNQCLSA-N	-1	0	283.331	2.535	20	30		CFEDRM
CCc1cccc2c(C=NN[C@H](CC)C(=O)[O-])c[nH]c21	ZINC000793072906	629483886	/nfs/dbraw/zinc/48/38/86/629483886.db2.gz	RCOLWNDLBJQJTC-CYBMUJFWSA-N	-1	0	273.336	2.517	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccccc1Br)C(=O)[O-]	ZINC000793077354	629484446	/nfs/dbraw/zinc/48/44/46/629484446.db2.gz	DXHUGWRRECWAHR-NSHDSACASA-N	-1	0	299.168	2.626	20	30		CFEDRM
C=CCC(NN=C(CC)C(=O)[O-])c1ccc(F)cc1	ZINC000793080518	629485021	/nfs/dbraw/zinc/48/50/21/629485021.db2.gz	BKODNDSWNICRAG-GFCCVEGCSA-N	-1	0	264.300	2.559	20	30		CFEDRM
Cc1[nH]c(CN=Nc2cccc(Cl)n2)cc1C(=O)[O-]	ZINC000793161912	629495062	/nfs/dbraw/zinc/49/50/62/629495062.db2.gz	NAGWNQCUUJDJTQ-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
CC[C@H](C)CON=Cc1cccc(OCCC(=O)[O-])c1	ZINC000793160676	629495203	/nfs/dbraw/zinc/49/52/03/629495203.db2.gz	WNJRZAZPBXRVNC-LBPRGKRZSA-N	-1	0	279.336	2.937	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2Cc3ccc(F)cc32)c1	ZINC000793735701	629589572	/nfs/dbraw/zinc/58/95/72/629589572.db2.gz	PIELUHHXOXWIHQ-ZDUSSCGKSA-N	-1	0	282.274	2.681	20	30		CFEDRM
CC(=NNCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000794547186	629660088	/nfs/dbraw/zinc/66/00/88/629660088.db2.gz	FMPHSYCRJLNYAZ-UHFFFAOYSA-N	-1	0	291.229	2.566	20	30		CFEDRM
CN(C)Cc1cnc(/C=C\C(=O)c2ccccc2[O-])s1	ZINC000794700236	629676741	/nfs/dbraw/zinc/67/67/41/629676741.db2.gz	HZERSESMPJWLEM-FPLPWBNLSA-N	-1	0	288.372	2.806	20	30		CFEDRM
CC(C)N1c2ccccc2C(=N[N-]c2ncccc2F)C1=O	ZINC000794993648	629719261	/nfs/dbraw/zinc/71/92/61/629719261.db2.gz	NNERLRWWUVACAS-UHFFFAOYSA-N	-1	0	298.321	2.792	20	30		CFEDRM
C=CCNN=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000794999013	629720506	/nfs/dbraw/zinc/72/05/06/629720506.db2.gz	SIGFBSINUAIICP-UHFFFAOYSA-N	-1	0	287.132	2.793	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000796771830	629963571	/nfs/dbraw/zinc/96/35/71/629963571.db2.gz	NSJKRDBDZNJHNN-ZDUSSCGKSA-N	-1	0	288.347	2.656	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000796791767	629968696	/nfs/dbraw/zinc/96/86/96/629968696.db2.gz	HMOOLSAVGCPZMS-GFCCVEGCSA-N	-1	0	276.336	2.559	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000797705025	630097276	/nfs/dbraw/zinc/09/72/76/630097276.db2.gz	XCICECIEBHOBKE-BFHYXJOUSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](CC)c1ccc(C)cc1	ZINC000797718005	630097897	/nfs/dbraw/zinc/09/78/97/630097897.db2.gz	LSUXTMYLRJVXIU-CQSZACIVSA-N	-1	0	290.363	2.728	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1C1CC1	ZINC000798815016	630241821	/nfs/dbraw/zinc/24/18/21/630241821.db2.gz	GECXOPMBONLSDD-ZDUSSCGKSA-N	-1	0	288.347	2.786	20	30		CFEDRM
C[C@@]12C[C@@H]1CCCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000799885006	630351688	/nfs/dbraw/zinc/35/16/88/630351688.db2.gz	OLZLSBBEOSAWER-IINYFYTJSA-N	-1	0	259.309	2.758	20	30		CFEDRM
Cc1[nH]c(C=NOCc2ccccc2)cc1C(=O)[O-]	ZINC000800810559	630407144	/nfs/dbraw/zinc/40/71/44/630407144.db2.gz	UMLVPSSIMSOLOI-UHFFFAOYSA-N	-1	0	258.277	2.572	20	30		CFEDRM
CC1(C)SC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801646432	630463522	/nfs/dbraw/zinc/46/35/22/630463522.db2.gz	RFFMTTGFTZJDBO-RYPVXOHGSA-N	-1	0	266.322	2.613	20	30		CFEDRM
N#CC(=C([O-])C1=CCOCC1)c1nc2ccccc2s1	ZINC000802036545	630498732	/nfs/dbraw/zinc/49/87/32/630498732.db2.gz	ZPPFVWYOBKXVCF-NSHDSACASA-N	-1	0	284.340	2.819	20	30		CFEDRM
N#CC(=C([O-])C1=CCOCC1)c1nc2ccccc2s1	ZINC000802036544	630498938	/nfs/dbraw/zinc/49/89/38/630498938.db2.gz	ZPPFVWYOBKXVCF-LLVKDONJSA-N	-1	0	284.340	2.819	20	30		CFEDRM
CCCCCCCC(=O)OCc1n[n-]c(C)cc1=O	ZINC000802170313	630509361	/nfs/dbraw/zinc/50/93/61/630509361.db2.gz	SAARGHYFZHRMLN-UHFFFAOYSA-N	-1	0	266.341	2.894	20	30		CFEDRM
COCCCn1nccc1/C=C/C(=O)c1ccccc1[O-]	ZINC000802705858	630539037	/nfs/dbraw/zinc/53/90/37/630539037.db2.gz	VIBUAYMKYOBBPR-BQYQJAHWSA-N	-1	0	286.331	2.521	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C/c2cocn2)C(=O)c2ccccc21	ZINC000806560246	630812309	/nfs/dbraw/zinc/81/23/09/630812309.db2.gz	KFTKIXCSWNLXPD-WYOARUQKSA-N	-1	0	269.256	2.513	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C\c2cncs2)C(=O)c2ccccc21	ZINC000806561071	630812595	/nfs/dbraw/zinc/81/25/95/630812595.db2.gz	REVJTOLAYUEOMG-OMDQHUAHSA-N	-1	0	285.324	2.981	20	30		CFEDRM
CCn1nccc1/C=C1/C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806561323	630812705	/nfs/dbraw/zinc/81/27/05/630812705.db2.gz	UHHPFORGLZTMGE-ZHUYAKLQSA-N	-1	0	296.326	2.741	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])nn1	ZINC000806572965	630815316	/nfs/dbraw/zinc/81/53/16/630815316.db2.gz	COGJKIQIFGIPKD-ARJAWSKDSA-N	-1	0	293.273	2.739	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@H]1SC	ZINC000807943453	630924445	/nfs/dbraw/zinc/92/44/45/630924445.db2.gz	GSMOBKKOMUVNGI-CHWSQXEVSA-N	-1	0	294.376	2.693	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1c(F)cccc1Cl	ZINC000807950466	630925620	/nfs/dbraw/zinc/92/56/20/630925620.db2.gz	VFURLWGDZJOPLC-UHFFFAOYSA-N	-1	0	295.705	2.514	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccccc1C(F)(F)F	ZINC000837046821	630944722	/nfs/dbraw/zinc/94/47/22/630944722.db2.gz	PMQPRTCPMALHMD-VIFPVBQESA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)Oc1ccccc1Cl	ZINC000837048643	630946041	/nfs/dbraw/zinc/94/60/41/630946041.db2.gz	VMWVIHLCBSTSBB-NSHDSACASA-N	-1	0	269.728	2.731	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)CCCCC(=O)[O-])c1	ZINC000808510243	631004685	/nfs/dbraw/zinc/00/46/85/631004685.db2.gz	KSIYTHBHFKKDMW-UHFFFAOYSA-N	-1	0	273.332	2.666	20	30		CFEDRM
Cc1cccc2cc(C([O-])=C(C#N)C(=O)NC3CC3)sc21	ZINC000808980056	631061524	/nfs/dbraw/zinc/06/15/24/631061524.db2.gz	RZPRKABXBRMHSH-LBPRGKRZSA-N	-1	0	298.367	2.811	20	30		CFEDRM
COCC1CCC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000840713967	631176225	/nfs/dbraw/zinc/17/62/25/631176225.db2.gz	WHCCQXBCNICIGC-CXUHLZMHSA-N	-1	0	292.335	2.925	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1	ZINC000042242301	649996441	/nfs/dbraw/zinc/99/64/41/649996441.db2.gz	FFAMPRBLMMZNNP-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1cccs1	ZINC000042243438	649996446	/nfs/dbraw/zinc/99/64/46/649996446.db2.gz	ISRILVUFRIXRNK-SECBINFHSA-N	-1	0	271.363	2.750	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(CC)cc1	ZINC000042344399	649997878	/nfs/dbraw/zinc/99/78/78/649997878.db2.gz	XSFUJIUFMFVZHW-UHFFFAOYSA-N	-1	0	269.366	2.684	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@](C)(CC)CCC)CC1	ZINC000810981072	631490534	/nfs/dbraw/zinc/49/05/34/631490534.db2.gz	LHXQGLSFNDQRRO-ZDUSSCGKSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@@H]2C)CC1	ZINC000810983402	631491179	/nfs/dbraw/zinc/49/11/79/631491179.db2.gz	SPVOJSRFBFDBEY-STQMWFEESA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)CC1	ZINC000810989003	631491432	/nfs/dbraw/zinc/49/14/32/631491432.db2.gz	VXZMFUCMCGGXLG-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C[C@H](COc1ccccc1)NN=Cc1ccccc1C(=O)[O-]	ZINC000811666423	631602139	/nfs/dbraw/zinc/60/21/39/631602139.db2.gz	CTLOLFOXPRRLFS-CYBMUJFWSA-N	-1	0	298.342	2.776	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1ccccc1C(=O)[O-]	ZINC000811672280	631604377	/nfs/dbraw/zinc/60/43/77/631604377.db2.gz	VMRGRNXLWOPRQG-AKROGEHCSA-N	-1	0	253.685	2.878	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\C2CCCC2)c1	ZINC000843842157	632065688	/nfs/dbraw/zinc/06/56/88/632065688.db2.gz	GFVAUZLWTPALBQ-VURMDHGXSA-N	-1	0	256.305	2.949	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000856027122	635703140	/nfs/dbraw/zinc/70/31/40/635703140.db2.gz	AGEHHVQENJYJQY-CYBMUJFWSA-N	-1	0	275.348	2.955	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1CC(C)(C)Oc2ccccc21	ZINC000856027123	635703535	/nfs/dbraw/zinc/70/35/35/635703535.db2.gz	AGEHHVQENJYJQY-ZDUSSCGKSA-N	-1	0	275.348	2.955	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNc1nc(=O)cc(C)[nH]1	ZINC000814681633	632106966	/nfs/dbraw/zinc/10/69/66/632106966.db2.gz	VQXBWMCTKSPMHE-UHFFFAOYSA-N	-1	0	294.355	2.704	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC000814685264	632108006	/nfs/dbraw/zinc/10/80/06/632108006.db2.gz	FJYKPPAPUUNKFH-MWLCHTKSSA-N	-1	0	291.307	2.884	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(CO)c1	ZINC000814687697	632108659	/nfs/dbraw/zinc/10/86/59/632108659.db2.gz	RMCFEVXYECCDJN-UHFFFAOYSA-N	-1	0	284.315	2.713	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000814687417	632108790	/nfs/dbraw/zinc/10/87/90/632108790.db2.gz	HSGIIZMDEGPOLD-MRVPVSSYSA-N	-1	0	250.323	2.678	20	30		CFEDRM
CC(Cn1cccn1)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814688709	632108971	/nfs/dbraw/zinc/10/89/71/632108971.db2.gz	JQFPIXLRLCPCBD-UHFFFAOYSA-N	-1	0	292.726	2.723	20	30		CFEDRM
CC(C)(C)c1ncc(C=NNc2cccc(C(=O)[O-])c2)cn1	ZINC000814687948	632109023	/nfs/dbraw/zinc/10/90/23/632109023.db2.gz	YKFCFMKBYQEUHH-UHFFFAOYSA-N	-1	0	298.346	2.918	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc([N+](=O)[O-])c1	ZINC000814694290	632109553	/nfs/dbraw/zinc/10/95/53/632109553.db2.gz	DDPFFUZSUWCLNJ-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC(=S)Nc2ccccc2)c1	ZINC000814714189	632112326	/nfs/dbraw/zinc/11/23/26/632112326.db2.gz	WABRHLYTIZTQCS-UHFFFAOYSA-N	-1	0	299.355	2.705	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccccc2)CC[C@H]1CC(=O)[O-]	ZINC000814751892	632117907	/nfs/dbraw/zinc/11/79/07/632117907.db2.gz	VUSQUDDAXBJHRC-AAEUAGOBSA-N	-1	0	260.337	2.653	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCc1cccc(F)c1	ZINC000814805257	632128002	/nfs/dbraw/zinc/12/80/02/632128002.db2.gz	UOWVQYYSLMGENT-UHFFFAOYSA-N	-1	0	278.327	2.936	20	30		CFEDRM
Cc1nc(C#N)c(N=NCc2cc(C(=O)[O-])c(C)cc2C)o1	ZINC000814813347	632131175	/nfs/dbraw/zinc/13/11/75/632131175.db2.gz	CJXUVBJUMSCTMJ-UHFFFAOYSA-N	-1	0	298.302	2.616	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1cc(C(=O)[O-])cs1	ZINC000814832221	632134450	/nfs/dbraw/zinc/13/44/50/632134450.db2.gz	KDMLEXRWSKEDRE-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)nc1	ZINC000814831984	632134577	/nfs/dbraw/zinc/13/45/77/632134577.db2.gz	ZRDMKSMVXLONPJ-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814868309	632142421	/nfs/dbraw/zinc/14/24/21/632142421.db2.gz	ODMSTRJNSLWQKH-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000814867703	632142557	/nfs/dbraw/zinc/14/25/57/632142557.db2.gz	CDVUPRMPCQFINX-JQWIXIFHSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@H]1CC(N=NCCc2ccccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814875285	632145320	/nfs/dbraw/zinc/14/53/20/632145320.db2.gz	AGCKOGNHJHNJBD-FZMZJTMJSA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(C#N)cc1	ZINC000814882705	632147696	/nfs/dbraw/zinc/14/76/96/632147696.db2.gz	MNJKJSXAEGNGMA-RISCZKNCSA-N	-1	0	285.347	2.525	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1C[C@@H](C)[C@H]1C	ZINC000814887557	632150036	/nfs/dbraw/zinc/15/00/36/632150036.db2.gz	SMENCFBIBGUQQM-RKDXNWHRSA-N	-1	0	262.309	2.837	20	30		CFEDRM
CC(C)OCCNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814899441	632154987	/nfs/dbraw/zinc/15/49/87/632154987.db2.gz	WPBRJFBCLRONHP-NEPJUHHUSA-N	-1	0	284.400	2.514	20	30		CFEDRM
COc1nccnc1N=NC(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814905264	632158017	/nfs/dbraw/zinc/15/80/17/632158017.db2.gz	CKOVDAXVCQSLMI-JTQLQIEISA-N	-1	0	294.355	2.554	20	30		CFEDRM
CC(C)[C@H](Cc1ccccc1)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814907116	632158977	/nfs/dbraw/zinc/15/89/77/632158977.db2.gz	VKZUSRXUASXIDO-HNNXBMFYSA-N	-1	0	299.374	2.904	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=C1CCC(C(=O)[O-])CC1	ZINC000814917726	632164532	/nfs/dbraw/zinc/16/45/32/632164532.db2.gz	POTDCKGBICUZGG-TVKKRMFBSA-N	-1	0	252.358	2.786	20	30		CFEDRM
CSCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814921755	632165165	/nfs/dbraw/zinc/16/51/65/632165165.db2.gz	AMOOPWPNFROCRZ-NXEZZACHSA-N	-1	0	273.398	2.879	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ncccc1F	ZINC000814927288	632168215	/nfs/dbraw/zinc/16/82/15/632168215.db2.gz	GLBKHRLUVJLERH-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1cc(C(=O)[O-])cs1	ZINC000814927499	632168324	/nfs/dbraw/zinc/16/83/24/632168324.db2.gz	QSHDGPSIRWASSG-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
CCC(=NNCc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000814936565	632173395	/nfs/dbraw/zinc/17/33/95/632173395.db2.gz	ABZSPRMSPYOPNJ-CQSZACIVSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@H](NN=C1COc2c1c(C)ccc2C(C)C)C(=O)[O-]	ZINC000814937095	632174423	/nfs/dbraw/zinc/17/44/23/632174423.db2.gz	UWEDBEUBZMSUPT-LBPRGKRZSA-N	-1	0	290.363	2.668	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-]	ZINC000814936998	632174455	/nfs/dbraw/zinc/17/44/55/632174455.db2.gz	QOCAYSFKHMHZIQ-DZGCQCFKSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CC[C@H](NN=C1CCc2ccc(F)c(Cl)c21)C(=O)[O-]	ZINC000844597927	632259356	/nfs/dbraw/zinc/25/93/56/632259356.db2.gz	MLVSJCVFGZNYIE-VIFPVBQESA-N	-1	0	284.718	2.582	20	30		CFEDRM
COCCCC(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623460	632266736	/nfs/dbraw/zinc/26/67/36/632266736.db2.gz	KMTHKYKYXGUQKC-UHFFFAOYSA-N	-1	0	264.325	2.908	20	30		CFEDRM
Cc1c(N=NC2CO[C@H](C)[C@H]2C)cccc1C(=O)[O-]	ZINC000844622511	632266977	/nfs/dbraw/zinc/26/69/77/632266977.db2.gz	FDVZCGRXJXTSES-PSASIEDQSA-N	-1	0	262.309	2.516	20	30		CFEDRM
Cc1c(N=NC2C[C@H](C)O[C@H]2C)cccc1C(=O)[O-]	ZINC000844622481	632267036	/nfs/dbraw/zinc/26/70/36/632267036.db2.gz	DEMSHDBGFUKNBS-WPRPVWTQSA-N	-1	0	262.309	2.658	20	30		CFEDRM
CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000845452695	632437893	/nfs/dbraw/zinc/43/78/93/632437893.db2.gz	WIPTZMXEGNYRJZ-ZDUSSCGKSA-N	-1	0	287.363	2.519	20	30		CFEDRM
CO[C@@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845843107	632578593	/nfs/dbraw/zinc/57/85/93/632578593.db2.gz	XUQFEADXUJRVSS-GXSJLCMTSA-N	-1	0	291.372	2.553	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000846151777	632647941	/nfs/dbraw/zinc/64/79/41/632647941.db2.gz	GZHKXCUIXAJAFP-UHFFFAOYSA-N	-1	0	290.363	2.547	20	30		CFEDRM
C=C(Br)CN(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000846260591	632676450	/nfs/dbraw/zinc/67/64/50/632676450.db2.gz	HUNYUARZZHSDFC-UHFFFAOYSA-N	-1	0	288.141	2.627	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1sc(C)nc1C(F)(F)F	ZINC000846262075	632677313	/nfs/dbraw/zinc/67/73/13/632677313.db2.gz	AUSBUYZQQBBVDT-UHFFFAOYSA-N	-1	0	294.298	2.543	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1C	ZINC000817714460	632690492	/nfs/dbraw/zinc/69/04/92/632690492.db2.gz	ULDUBRDMXZYPQC-ZDUSSCGKSA-N	-1	0	290.338	2.763	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)[C@H]1OCCc2sccc21	ZINC000846534303	632724758	/nfs/dbraw/zinc/72/47/58/632724758.db2.gz	OYQUKJVAZRKRGJ-GXFFZTMASA-N	-1	0	281.377	2.622	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Sc1ccc(OC)cc1	ZINC000846537098	632726845	/nfs/dbraw/zinc/72/68/45/632726845.db2.gz	BABDNYXFDKNBIE-LLVKDONJSA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(F)c2)CCC1	ZINC000846538589	632727201	/nfs/dbraw/zinc/72/72/01/632727201.db2.gz	VVIPGZTXLSWGNP-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSCc1cccc(C)c1	ZINC000846539665	632728572	/nfs/dbraw/zinc/72/85/72/632728572.db2.gz	CJIRLEQWWCZCEA-UHFFFAOYSA-N	-1	0	265.378	2.852	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000846539756	632728851	/nfs/dbraw/zinc/72/88/51/632728851.db2.gz	DUYHLLUCTYFJAG-SNVBAGLBSA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSCc1ccc(F)cc1	ZINC000846540125	632728901	/nfs/dbraw/zinc/72/89/01/632728901.db2.gz	NHYWSVSVUFSWBM-UHFFFAOYSA-N	-1	0	269.341	2.683	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(Cl)c(C)c1	ZINC000846541452	632729449	/nfs/dbraw/zinc/72/94/49/632729449.db2.gz	HEINYALXXQNVDR-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000846540235	632729628	/nfs/dbraw/zinc/72/96/28/632729628.db2.gz	XWHXAYWTZXBXDO-HNNXBMFYSA-N	-1	0	288.347	2.586	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(F)cc1	ZINC000846541822	632730331	/nfs/dbraw/zinc/73/03/31/632730331.db2.gz	NQKSXIVGPBSBHI-VIFPVBQESA-N	-1	0	255.314	2.540	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(Cl)ccc1Cl	ZINC000846542737	632730662	/nfs/dbraw/zinc/73/06/62/632730662.db2.gz	HQFCRDDBLUIDSX-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846543090	632731740	/nfs/dbraw/zinc/73/17/40/632731740.db2.gz	KPNLUHLEPNXBMU-VHSXEESVSA-N	-1	0	296.348	2.698	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(OCC)cc1	ZINC000846544102	632731912	/nfs/dbraw/zinc/73/19/12/632731912.db2.gz	USYFQKBNPGKWCL-NSHDSACASA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(F)cc1	ZINC000846544913	632732817	/nfs/dbraw/zinc/73/28/17/632732817.db2.gz	LGNXKCLFUUSWJL-SNVBAGLBSA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(F)cc2)CCC1	ZINC000846544939	632732996	/nfs/dbraw/zinc/73/29/96/632732996.db2.gz	SHEJYURIMWLARW-NSHDSACASA-N	-1	0	263.312	2.870	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000846545368	632733671	/nfs/dbraw/zinc/73/36/71/632733671.db2.gz	VZMQCTQRTHPSHF-SNVBAGLBSA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(OC)c(OC)c1	ZINC000846545901	632733736	/nfs/dbraw/zinc/73/37/36/632733736.db2.gz	JREBGUDPDRCTDC-NSHDSACASA-N	-1	0	293.363	2.604	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12	ZINC000846547019	632735692	/nfs/dbraw/zinc/73/56/92/632735692.db2.gz	AOXBKSQLICXGFG-NEPJUHHUSA-N	-1	0	272.348	2.904	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(Cl)cc(Cl)c1	ZINC000846549591	632737546	/nfs/dbraw/zinc/73/75/46/632737546.db2.gz	ZMKLNAWFADJWOG-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000846549765	632737665	/nfs/dbraw/zinc/73/76/65/632737665.db2.gz	SQPPIXNLCWPANZ-ZETCQYMHSA-N	-1	0	277.217	2.679	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)COCc1ccccc1	ZINC000846552995	632740821	/nfs/dbraw/zinc/74/08/21/632740821.db2.gz	VACWCUISVGQVRQ-ZDUSSCGKSA-N	-1	0	277.364	2.852	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCC1	ZINC000846554892	632741658	/nfs/dbraw/zinc/74/16/58/632741658.db2.gz	LETAUDKUMQGUGB-LBPRGKRZSA-N	-1	0	297.395	2.901	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2C2CCC2)c1	ZINC000818991755	632924994	/nfs/dbraw/zinc/92/49/94/632924994.db2.gz	IYXVDNIPJNITAE-BKHJPCMFSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000848245022	633223161	/nfs/dbraw/zinc/22/31/61/633223161.db2.gz	RHXYTINTOCOQJT-ZDUSSCGKSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413999	633252418	/nfs/dbraw/zinc/25/24/18/633252418.db2.gz	HECMHFMCXBCVCP-VIFPVBQESA-N	-1	0	264.350	2.607	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415381	633253122	/nfs/dbraw/zinc/25/31/22/633253122.db2.gz	SYGHFNAFEMCPPY-LBPRGKRZSA-N	-1	0	264.350	2.607	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccc(F)c(F)c2)CC[C@H]1C(=O)[O-]	ZINC000848415197	633253418	/nfs/dbraw/zinc/25/34/18/633253418.db2.gz	IZGIQYSZXTUGAE-BXKDBHETSA-N	-1	0	296.317	2.931	20	30		CFEDRM
N#Cc1ncc(C(F)(F)F)cc1NCC1(C(=O)[O-])CCC1	ZINC000852913365	634860109	/nfs/dbraw/zinc/86/01/09/634860109.db2.gz	RBTDMWJDXHLYEN-UHFFFAOYSA-N	-1	0	299.252	2.639	20	30		CFEDRM
CC1(C)C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000849169173	633577066	/nfs/dbraw/zinc/57/70/66/633577066.db2.gz	BWJDPEQVZCFTET-JFEKIERCSA-N	-1	0	298.726	2.940	20	30		CFEDRM
COC1CC(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000849169319	633577104	/nfs/dbraw/zinc/57/71/04/633577104.db2.gz	DVPQWGJGURDZPI-OQLLNIDSSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2O)c2ncnn21	ZINC000849170712	633578196	/nfs/dbraw/zinc/57/81/96/633578196.db2.gz	SWYZZJOIOUHUGZ-PUZJBMRASA-N	-1	0	276.727	2.762	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc([O-])c(F)c1	ZINC000849244590	633589001	/nfs/dbraw/zinc/58/90/01/633589001.db2.gz	FNLQNSLXWBOICK-ALCCZGGFSA-N	-1	0	287.294	2.744	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cn(C3CCC3)nn2)c([O-])c1	ZINC000849247746	633590302	/nfs/dbraw/zinc/59/03/02/633590302.db2.gz	XGXNKIPNSSCKBA-VMPITWQZSA-N	-1	0	299.330	2.613	20	30		CFEDRM
O=C(C=Cc1ccnn1CC1CC1)c1sccc1[O-]	ZINC000849250013	633591293	/nfs/dbraw/zinc/59/12/93/633591293.db2.gz	OUYKJXXRLRENPY-ONEGZZNKSA-N	-1	0	274.345	2.956	20	30		CFEDRM
N#Cc1c(Cl)nsc1NC[C@@H](C(=O)[O-])C1CCC1	ZINC000852913351	634859786	/nfs/dbraw/zinc/85/97/86/634859786.db2.gz	QSVNDUJKRWORIU-MRVPVSSYSA-N	-1	0	285.756	2.581	20	30		CFEDRM
CC[C@H](NN=C1CCC(C2CCC2)CC1)C(=O)[O-]	ZINC000853349254	634979600	/nfs/dbraw/zinc/97/96/00/634979600.db2.gz	WKNKZOGDOZYJMX-YUZLPWPTSA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NN2CCCC[C@H]2C)c1)C(=O)[O-]	ZINC000853378982	634986521	/nfs/dbraw/zinc/98/65/21/634986521.db2.gz	BHOKEBLMFIDICF-CHWSQXEVSA-N	-1	0	290.363	2.747	20	30		CFEDRM
C[C@H](Oc1ccc(C=NOCC2CCC2)cc1)C(=O)[O-]	ZINC000853440601	635000590	/nfs/dbraw/zinc/00/05/90/635000590.db2.gz	FKGGZADPEGTRMW-NSHDSACASA-N	-1	0	277.320	2.689	20	30		CFEDRM
C=C(Cl)CO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000853664535	635066609	/nfs/dbraw/zinc/06/66/09/635066609.db2.gz	PHKXEQLIUICQBU-UHFFFAOYSA-N	-1	0	253.729	2.765	20	30		CFEDRM
C#C[C@](C)(CC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854704181	635377330	/nfs/dbraw/zinc/37/73/30/635377330.db2.gz	MQHVXCKSFUBBIF-CQSZACIVSA-N	-1	0	274.345	2.648	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc(F)cc2)CCC1	ZINC000856029894	635705701	/nfs/dbraw/zinc/70/57/01/635705701.db2.gz	HPCRUVOWLHEBTB-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(F)cc1	ZINC000856031516	635706444	/nfs/dbraw/zinc/70/64/44/635706444.db2.gz	SGGLYIJOKCDJCZ-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@](O)(CC)c1cccc(Cl)c1	ZINC000856035044	635710460	/nfs/dbraw/zinc/71/04/60/635710460.db2.gz	RDKSPXKKCIAVBQ-CQSZACIVSA-N	-1	0	283.755	2.562	20	30		CFEDRM
CCCCCCCC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000114922481	635941464	/nfs/dbraw/zinc/94/14/64/635941464.db2.gz	NEMDLXQKMLFSSY-LBPRGKRZSA-N	-1	0	257.374	2.820	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCOCC2)c(F)c1	ZINC000857210522	635947690	/nfs/dbraw/zinc/94/76/90/635947690.db2.gz	UJOJBTZFSTXPTM-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2/Cc3c(cccc3O)C2=O)c1	ZINC000158301303	650223577	/nfs/dbraw/zinc/22/35/77/650223577.db2.gz	ONRNTHNWIFAKEL-WQLSENKSSA-N	-1	0	280.279	2.913	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000047358171	650232633	/nfs/dbraw/zinc/23/26/33/650232633.db2.gz	DUGFCZUJGMTXRT-SGUJLRQBSA-N	-1	0	258.302	2.934	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1)C1CC1	ZINC000048407495	650265219	/nfs/dbraw/zinc/26/52/19/650265219.db2.gz	PLOSAPHGZYDOCZ-KTKRTIGZSA-N	-1	0	265.334	2.688	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000048418124	650265301	/nfs/dbraw/zinc/26/53/01/650265301.db2.gz	YFBPWISTIPPLAA-ZETCQYMHSA-N	-1	0	293.797	2.737	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC)cc1	ZINC000048452341	650267126	/nfs/dbraw/zinc/26/71/26/650267126.db2.gz	FUPRELRHVVYZRM-SNVBAGLBSA-N	-1	0	285.365	2.777	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)c1	ZINC000048505679	650268982	/nfs/dbraw/zinc/26/89/82/650268982.db2.gz	DCBNCLVEWMXMKS-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC23CC3)c1	ZINC000860445380	636886709	/nfs/dbraw/zinc/88/67/09/636886709.db2.gz	RRGALZSGLDNNNP-NSHDSACASA-N	-1	0	256.305	2.783	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OCC(F)F)CCCC2)cc1	ZINC000860811813	636978193	/nfs/dbraw/zinc/97/81/93/636978193.db2.gz	HZFATLBXTRLDMR-UHFFFAOYSA-N	-1	0	294.301	2.683	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC000118608953	637252094	/nfs/dbraw/zinc/25/20/94/637252094.db2.gz	KYIACURCOWPYER-VXGBXAGGSA-N	-1	0	255.358	2.669	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)OCc1ccccc1C	ZINC000862132478	637278687	/nfs/dbraw/zinc/27/86/87/637278687.db2.gz	GNPURZBRMPORHC-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)OCc1ccc(C)cc1	ZINC000862217602	637289476	/nfs/dbraw/zinc/28/94/76/637289476.db2.gz	KLHMODUBFPNIKE-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=C(Cl)CN1CCc2c(F)ccc(C(=O)[O-])c2C1	ZINC000863473129	637669558	/nfs/dbraw/zinc/66/95/58/637669558.db2.gz	AHXZFEFJSLDCPL-UHFFFAOYSA-N	-1	0	269.703	2.635	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864144119	637891783	/nfs/dbraw/zinc/89/17/83/637891783.db2.gz	WCPNOELUQRMFRH-SKVAFPRGSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1	ZINC000864157377	637895976	/nfs/dbraw/zinc/89/59/76/637895976.db2.gz	YDNHLNXUSMJGGJ-SYTKJHMZSA-N	-1	0	289.331	2.806	20	30		CFEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])c(O)c1	ZINC000864179411	637906003	/nfs/dbraw/zinc/90/60/03/637906003.db2.gz	PPHQSFMJGTUTRV-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000864184670	637907735	/nfs/dbraw/zinc/90/77/35/637907735.db2.gz	RWEYZYWGUZRJQK-MNOVXSKESA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C(C)C)cn1)C(=O)[O-]	ZINC000864186351	637908199	/nfs/dbraw/zinc/90/81/99/637908199.db2.gz	NQGZEPZPLSKQKN-GFCCVEGCSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864186843	637908601	/nfs/dbraw/zinc/90/86/01/637908601.db2.gz	YOGVHPXTSGAVBD-CMPLNLGQSA-N	-1	0	281.739	2.502	20	30		CFEDRM
C=CCCC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000864197467	637912322	/nfs/dbraw/zinc/91/23/22/637912322.db2.gz	ZWJGDPZYUMKXQW-HNNXBMFYSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2)O1	ZINC000076755508	650401004	/nfs/dbraw/zinc/40/10/04/650401004.db2.gz	APERWYUDCAPZBG-NWDGAFQWSA-N	-1	0	297.376	2.680	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1ccc(O)cc1[O-])CCCC2	ZINC000865221249	638227428	/nfs/dbraw/zinc/22/74/28/638227428.db2.gz	WKODRNLAMVQCRQ-CMDGGOBGSA-N	-1	0	298.342	2.606	20	30		CFEDRM
Cc1csc(C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])n1	ZINC000866224230	638773777	/nfs/dbraw/zinc/77/37/77/638773777.db2.gz	SBUVROMHUGLNTA-JTQLQIEISA-N	-1	0	273.361	2.880	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077879466	650458664	/nfs/dbraw/zinc/45/86/64/650458664.db2.gz	PLXDKIPHBUJNEU-AAEUAGOBSA-N	-1	0	299.392	2.849	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)OCc1cccc(C)c1	ZINC000869154093	639050348	/nfs/dbraw/zinc/05/03/48/639050348.db2.gz	LWYCJEDEXDSBOS-QWHCGFSZSA-N	-1	0	263.337	2.522	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000869154142	639050417	/nfs/dbraw/zinc/05/04/17/639050417.db2.gz	NCRVWVAJNCZLOU-LLVKDONJSA-N	-1	0	290.319	2.639	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)OCc1cccc(C)c1	ZINC000869282390	639131436	/nfs/dbraw/zinc/13/14/36/639131436.db2.gz	KIMWIOPXTGJILY-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)C1CCCCC1	ZINC000191247816	650484774	/nfs/dbraw/zinc/48/47/74/650484774.db2.gz	YZNLYUHIFYGVLC-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
CCCC[C@H](CC)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122749469	639378197	/nfs/dbraw/zinc/37/81/97/639378197.db2.gz	INWWHWRTZISKQK-QWHCGFSZSA-N	-1	0	289.379	2.918	20	30		CFEDRM
Cc1cc2cc(C([O-])=C(C#N)C(=O)NC(C)C)oc2cc1C	ZINC000122968827	639531458	/nfs/dbraw/zinc/53/14/58/639531458.db2.gz	XGOVUEPJHIFZEQ-ZDUSSCGKSA-N	-1	0	298.342	2.897	20	30		CFEDRM
CC[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)C(C)(C)C	ZINC000870242413	639559259	/nfs/dbraw/zinc/55/92/59/639559259.db2.gz	BVOISEFTJQPOIR-NEPJUHHUSA-N	-1	0	289.379	2.774	20	30		CFEDRM
CC(C)CCCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123016660	639561205	/nfs/dbraw/zinc/56/12/05/639561205.db2.gz	LDNLZPIZNFRNMW-ZDUSSCGKSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCC[C@@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123022566	639563024	/nfs/dbraw/zinc/56/30/24/639563024.db2.gz	DQCSBSIHDBVOFM-OLZOCXBDSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCCO[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690071	639772787	/nfs/dbraw/zinc/77/27/87/639772787.db2.gz	ILXDMZSWELFSCF-CYBMUJFWSA-N	-1	0	290.363	2.954	20	30		CFEDRM
CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691194	639773278	/nfs/dbraw/zinc/77/32/78/639773278.db2.gz	GWEOOJNBXLDAPV-HIFRSBDPSA-N	-1	0	258.321	2.650	20	30		CFEDRM
CCCC[C@](C)(F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690508	639773427	/nfs/dbraw/zinc/77/34/27/639773427.db2.gz	QDAVFFHRZQYANR-AWEZNQCLSA-N	-1	0	264.300	2.887	20	30		CFEDRM
CCCCS[C@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692771	639774685	/nfs/dbraw/zinc/77/46/85/639774685.db2.gz	NMTPYWRPBAEBCJ-LLVKDONJSA-N	-1	0	278.377	2.890	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)CCC1	ZINC000192184660	650547374	/nfs/dbraw/zinc/54/73/74/650547374.db2.gz	JJSDLBSUOUIHJW-UHFFFAOYSA-N	-1	0	293.388	2.546	20	30		CFEDRM
CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000079149663	650564786	/nfs/dbraw/zinc/56/47/86/650564786.db2.gz	MUSHTLSAOBKHNM-CYBMUJFWSA-N	-1	0	299.392	2.847	20	30		CFEDRM
C=C(Cl)CSc1nc(=O)cc([O-])n1C1CCCC1	ZINC000192708430	650587204	/nfs/dbraw/zinc/58/72/04/650587204.db2.gz	MKXFUKLAMJVPBF-UHFFFAOYSA-N	-1	0	286.784	2.909	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)CCCCC)CC1	ZINC000870835537	641091721	/nfs/dbraw/zinc/09/17/21/641091721.db2.gz	PHJZPXOWZNHVDJ-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCC(C)(C)C	ZINC000123339867	641091982	/nfs/dbraw/zinc/09/19/82/641091982.db2.gz	ROTJQJYXGBPXSY-NSHDSACASA-N	-1	0	275.352	2.528	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(F)c1	ZINC000193373689	650647647	/nfs/dbraw/zinc/64/76/47/650647647.db2.gz	OIVHOGRYQRFXMZ-CYBMUJFWSA-N	-1	0	290.338	2.763	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1sccc1C	ZINC000193367805	650647678	/nfs/dbraw/zinc/64/76/78/650647678.db2.gz	OFGVKCDGZFORJA-NSHDSACASA-N	-1	0	278.377	2.685	20	30		CFEDRM
CC1(C)CO[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871596821	641361712	/nfs/dbraw/zinc/36/17/12/641361712.db2.gz	DWMMIOMFUUFHIK-IWTIEGKHSA-N	-1	0	278.308	2.534	20	30		CFEDRM
COCC(C)(C)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000871597462	641363316	/nfs/dbraw/zinc/36/33/16/641363316.db2.gz	QTPVMTKCNCVIGN-OQLLNIDSSA-N	-1	0	280.324	2.782	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(Cl)nc2)c1	ZINC000193677184	650684353	/nfs/dbraw/zinc/68/43/53/650684353.db2.gz	BVHYLIZZESZIDW-OVCLIPMQSA-N	-1	0	291.694	2.968	20	30		CFEDRM
CC[C@@H](NN=C(C)CCc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000872376183	641780974	/nfs/dbraw/zinc/78/09/74/641780974.db2.gz	GHCPYVIAVOVHAJ-CQSZACIVSA-N	-1	0	287.363	2.929	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000872751910	641920460	/nfs/dbraw/zinc/92/04/60/641920460.db2.gz	ILADJZFHSJZFLH-UHFFFAOYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000872853427	641951464	/nfs/dbraw/zinc/95/14/64/641951464.db2.gz	UQQNJKCCCCFULH-OWCLPIDISA-N	-1	0	299.370	2.758	20	30		CFEDRM
C[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1cccc(C#N)c1	ZINC000872850424	641951615	/nfs/dbraw/zinc/95/16/15/641951615.db2.gz	SZAIKJVHEOERIF-LLVKDONJSA-N	-1	0	298.342	2.691	20	30		CFEDRM
CCCCCCCNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000872880975	641955038	/nfs/dbraw/zinc/95/50/38/641955038.db2.gz	KZGHLVMWFPNSRW-UHFFFAOYSA-N	-1	0	257.374	2.964	20	30		CFEDRM
CCCCCCCNC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	ZINC000872882919	641956202	/nfs/dbraw/zinc/95/62/02/641956202.db2.gz	ZYWRKKUVFZBZAJ-WDEREUQCSA-N	-1	0	275.414	2.668	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000872936196	641966485	/nfs/dbraw/zinc/96/64/85/641966485.db2.gz	WSXAUPLTKGTKAV-CQSZACIVSA-N	-1	0	287.787	2.916	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000872982003	641976756	/nfs/dbraw/zinc/97/67/56/641976756.db2.gz	QWGCDILYXDBUJC-CQSZACIVSA-N	-1	0	291.391	2.674	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)c2c([O-])cc(F)cc2F)CC1	ZINC000874861625	642533528	/nfs/dbraw/zinc/53/35/28/642533528.db2.gz	RRTPISFZILDQQP-HOMQSWHASA-N	-1	0	279.286	2.592	20	30		CFEDRM
N#Cc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)s1	ZINC000874969278	642566944	/nfs/dbraw/zinc/56/69/44/642566944.db2.gz	MHDDCZKMSUEZOE-UHFFFAOYSA-N	-1	0	257.270	2.797	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054401	650794456	/nfs/dbraw/zinc/79/44/56/650794456.db2.gz	CNRULJJXJCJTJQ-UHFFFAOYSA-N	-1	0	267.350	2.572	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1ccccc1Cl	ZINC000086056066	650795486	/nfs/dbraw/zinc/79/54/86/650795486.db2.gz	CWHSHMPLRVUNNH-UHFFFAOYSA-N	-1	0	287.768	2.917	20	30		CFEDRM
C=C(Br)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000087612413	650804626	/nfs/dbraw/zinc/80/46/26/650804626.db2.gz	KHKGGUPZDNVOTP-LBPRGKRZSA-N	-1	0	296.164	2.579	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000089963919	650860117	/nfs/dbraw/zinc/86/01/17/650860117.db2.gz	RSTYOLWVLGOVPW-UITAMQMPSA-N	-1	0	267.350	2.915	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127859336	644341558	/nfs/dbraw/zinc/34/15/58/644341558.db2.gz	QQXXWOOLSBPSSP-OAHLLOKOSA-N	-1	0	294.310	2.571	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccc(O)cc2)c1	ZINC000128120407	644476672	/nfs/dbraw/zinc/47/66/72/644476672.db2.gz	MDYYCGWAPFIDKB-XBXARRHUSA-N	-1	0	280.283	2.621	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cccnc2)CC2(CCC2)C1	ZINC000880548528	644761045	/nfs/dbraw/zinc/76/10/45/644761045.db2.gz	WZMSVBZSWBQVHP-UHFFFAOYSA-N	-1	0	286.375	2.907	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccccc1	ZINC000882235717	645250453	/nfs/dbraw/zinc/25/04/53/645250453.db2.gz	WTUYOEINVMJNBP-CQSZACIVSA-N	-1	0	299.374	2.953	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000129537512	645254657	/nfs/dbraw/zinc/25/46/57/645254657.db2.gz	CFKNOZPJQSYCQV-UXBLZVDNSA-N	-1	0	297.266	2.828	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cncs2)c([O-])c1	ZINC000130114308	645454395	/nfs/dbraw/zinc/45/43/95/645454395.db2.gz	CPTPRXQQNLTSIS-HWKANZROSA-N	-1	0	261.302	2.753	20	30		CFEDRM
Cc1cc(Cl)ccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000131932482	645852921	/nfs/dbraw/zinc/85/29/21/645852921.db2.gz	MPVXYTSOXDPGDO-CYBMUJFWSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000884443158	646361996	/nfs/dbraw/zinc/36/19/96/646361996.db2.gz	APQGKQMSKAGYAC-GFCCVEGCSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CC[C@H](C)CON=C(C)c1cncc(C(=O)[O-])c1	ZINC000884472448	646375360	/nfs/dbraw/zinc/37/53/60/646375360.db2.gz	ZOEVFWUPPXSSHM-VIFPVBQESA-N	-1	0	250.298	2.567	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)OCC1CCCCC1)C(=O)[O-]	ZINC000926569150	648536987	/nfs/dbraw/zinc/53/69/87/648536987.db2.gz	YFFRIOBSXAIELQ-NSHDSACASA-N	-1	0	289.759	2.889	20	30		CFEDRM
C#CCN(C(=O)c1cccc(Br)c1[O-])C(C)C	ZINC000928627120	648937628	/nfs/dbraw/zinc/93/76/28/648937628.db2.gz	XCNKXGVCIZHYBA-UHFFFAOYSA-N	-1	0	296.164	2.639	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930487499	649259471	/nfs/dbraw/zinc/25/94/71/649259471.db2.gz	BBOFVYPITRQVNT-SSDOTTSWSA-N	-1	0	287.146	2.931	20	30		CFEDRM
C=CCCCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1	ZINC000934279055	649768324	/nfs/dbraw/zinc/76/83/24/649768324.db2.gz	JYQPCSPMPUTZRK-GFCCVEGCSA-N	-1	0	277.368	2.684	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)c(C)c1	ZINC000119701525	651299758	/nfs/dbraw/zinc/29/97/58/651299758.db2.gz	LALGOVMPLIHTBQ-OAHLLOKOSA-N	-1	0	284.359	2.685	20	30		CFEDRM
N#Cc1cccnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243509656	782245865	/nfs/dbraw/zinc/24/58/65/782245865.db2.gz	NOJZCQBKPKRYDE-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)n1	ZINC001243513713	782249013	/nfs/dbraw/zinc/24/90/13/782249013.db2.gz	JLEHISVNFIFXSO-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ccn1	ZINC001243515461	782249611	/nfs/dbraw/zinc/24/96/11/782249611.db2.gz	KPIIMTACBKNKAK-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
Cc1nccc(-c2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001243517575	782250360	/nfs/dbraw/zinc/25/03/60/782250360.db2.gz	MPEWISBGCCSWRC-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1cccc([N+](=O)[O-])c1	ZINC001204439240	770049552	/nfs/dbraw/zinc/04/95/52/770049552.db2.gz	ACCCASURIRRTAF-UHFFFAOYSA-N	-1	0	261.262	2.977	20	30		CFEDRM
CC(C)c1nnc([N-]c2cc(C#N)cc([N+](=O)[O-])c2)o1	ZINC001211327204	770484889	/nfs/dbraw/zinc/48/48/89/770484889.db2.gz	OHEBNOCDPBIXHF-UHFFFAOYSA-N	-1	0	273.252	2.716	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(O)cc2)c1	ZINC000588466273	770763139	/nfs/dbraw/zinc/76/31/39/770763139.db2.gz	MDYYCGWAPFIDKB-YWEYNIOJSA-N	-1	0	280.283	2.621	20	30		CFEDRM
C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C(=O)[O-]	ZINC001143421392	770811711	/nfs/dbraw/zinc/81/17/11/770811711.db2.gz	UCAPLTZJTGODLW-UHFFFAOYSA-N	-1	0	295.798	2.592	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1	ZINC000724455276	770888081	/nfs/dbraw/zinc/88/80/81/770888081.db2.gz	UVLJSBJHRTWHAS-UONOGXRCSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](OCCCS(=O)(=O)[O-])C1	ZINC001224894845	775302196	/nfs/dbraw/zinc/30/21/96/775302196.db2.gz	YEVNGNKIDWRMIT-CHWSQXEVSA-N	-1	0	274.382	2.582	20	30		CFEDRM
C=C[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225018831	775336059	/nfs/dbraw/zinc/33/60/59/775336059.db2.gz	IUZLMGWWQMWAOA-ZDUSSCGKSA-N	-1	0	270.265	2.888	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225518318	775488721	/nfs/dbraw/zinc/48/87/21/775488721.db2.gz	WSPOQTYMERCXJN-LLVKDONJSA-N	-1	0	268.334	2.504	20	30		CFEDRM
N#CC1CCC(Oc2cccc([O-])c2[N+](=O)[O-])CC1	ZINC001225623543	775528253	/nfs/dbraw/zinc/52/82/53/775528253.db2.gz	PRCMVRGAQRIPSN-UHFFFAOYSA-N	-1	0	262.265	2.762	20	30		CFEDRM
C=C[C@H](CCCCCC)Oc1nc(C(=O)OC)cc(=O)[n-]1	ZINC001225731304	775575723	/nfs/dbraw/zinc/57/57/23/775575723.db2.gz	XVONYJCEDCLBJK-LLVKDONJSA-N	-1	0	294.351	2.873	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1F	ZINC001225884931	775623494	/nfs/dbraw/zinc/62/34/94/775623494.db2.gz	JALZXFXYVTUGMX-GFCCVEGCSA-N	-1	0	272.279	2.530	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225978730	775654779	/nfs/dbraw/zinc/65/47/79/775654779.db2.gz	XIQYHGLFPRFVBY-SSDOTTSWSA-N	-1	0	260.215	2.711	20	30		CFEDRM
Cc1c(C)n(-c2ccc(C(=O)[O-])c(C)c2)c(N)c1C#N	ZINC001211648154	775664019	/nfs/dbraw/zinc/66/40/19/775664019.db2.gz	UJERPLYVIFXSKR-UHFFFAOYSA-N	-1	0	269.304	2.555	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCc2ccccc2C1	ZINC001226008621	775665833	/nfs/dbraw/zinc/66/58/33/775665833.db2.gz	KTMYKDPQABUKHH-ZDUSSCGKSA-N	-1	0	284.290	2.734	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009219	775666000	/nfs/dbraw/zinc/66/60/00/775666000.db2.gz	UXRDWOORQMLEBX-CYBMUJFWSA-N	-1	0	283.262	2.832	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)C1CCCC1	ZINC001226009000	775666347	/nfs/dbraw/zinc/66/63/47/775666347.db2.gz	PNGNDQQWBASYFN-QMMMGPOBSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226014469	775669530	/nfs/dbraw/zinc/66/95/30/775669530.db2.gz	XSALIPFYOJMIHQ-VIFPVBQESA-N	-1	0	258.252	2.938	20	30		CFEDRM
N#Cc1c(O[C@H]2C=CCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226067599	775686259	/nfs/dbraw/zinc/68/62/59/775686259.db2.gz	IBRAKJLZPUYYAQ-ZETCQYMHSA-N	-1	0	270.210	2.775	20	30		CFEDRM
Cc1c([C@@H](C)Oc2cccc(/C=N/O)c2)cnn1C	ZINC001226110875	775702065	/nfs/dbraw/zinc/70/20/65/775702065.db2.gz	XZBFSMVCOWBORZ-FNQVVVRFSA-N	-1	0	259.309	2.677	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCC(F)(F)C2)c1C#N	ZINC001226223376	775743116	/nfs/dbraw/zinc/74/31/16/775743116.db2.gz	PJBWAMPNLHSFSL-MRVPVSSYSA-N	-1	0	254.236	2.534	20	30		CFEDRM
COc1cnc(=S)[nH]c1O[C@@H](C#N)c1cccc(F)c1	ZINC001226247622	775753786	/nfs/dbraw/zinc/75/37/86/775753786.db2.gz	YOHBNRLOUFZQPW-JTQLQIEISA-N	-1	0	291.307	2.557	20	30		CFEDRM
C[C@H](Oc1nccc(/C=N/O)n1)c1ccc(F)cc1	ZINC001226253829	775755698	/nfs/dbraw/zinc/75/56/98/775755698.db2.gz	MKLHMHZMERMDTA-VKPPLCHCSA-N	-1	0	261.256	2.564	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1	ZINC001226330836	775781501	/nfs/dbraw/zinc/78/15/01/775781501.db2.gz	DFLJNDBFFPQYLW-JQWIXIFHSA-N	-1	0	291.307	2.770	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407897	775809200	/nfs/dbraw/zinc/80/92/00/775809200.db2.gz	ANXJGCYYHMRJEA-JTQLQIEISA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=C[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226782144	775963230	/nfs/dbraw/zinc/96/32/30/775963230.db2.gz	PMVGKZSZCIPBBL-JTQLQIEISA-N	-1	0	284.344	2.948	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226787662	775965325	/nfs/dbraw/zinc/96/53/25/775965325.db2.gz	KQGKOPDFFYKQCE-MRVPVSSYSA-N	-1	0	285.141	2.763	20	30		CFEDRM
C=CCOc1ccccc1[C@@H](C)Oc1cc(=O)[nH]cn1	ZINC001226944013	776027531	/nfs/dbraw/zinc/02/75/31/776027531.db2.gz	CEQHMJDGWDVHFB-LLVKDONJSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccccc21	ZINC001226977870	776043165	/nfs/dbraw/zinc/04/31/65/776043165.db2.gz	VNUFLXAJGJKRBM-GXFFZTMASA-N	-1	0	254.289	2.516	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227064604	776082322	/nfs/dbraw/zinc/08/23/22/776082322.db2.gz	PKLYYRJMZWPMFL-VIFPVBQESA-N	-1	0	262.313	2.572	20	30		CFEDRM
C=CC[C@@H](Oc1nc(=O)[n-]c(=O)[nH]1)c1ccc(Cl)cc1	ZINC001227571277	776232479	/nfs/dbraw/zinc/23/24/79/776232479.db2.gz	RLJPTEJUCHNBLQ-SNVBAGLBSA-N	-1	0	293.710	2.632	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2ncsc21)C(C)C	ZINC001227610223	776242339	/nfs/dbraw/zinc/24/23/39/776242339.db2.gz	JSOPEIIACLQVJI-MRVPVSSYSA-N	-1	0	265.338	2.771	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227628926	776248172	/nfs/dbraw/zinc/24/81/72/776248172.db2.gz	RXHCALROSPGWBT-QMMMGPOBSA-N	-1	0	299.352	2.936	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(C#N)c1	ZINC000125596484	776370853	/nfs/dbraw/zinc/37/08/53/776370853.db2.gz	ZUMJRLISZTVIJT-HNNXBMFYSA-N	-1	0	297.358	2.577	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1occc1C	ZINC000125695101	776430671	/nfs/dbraw/zinc/43/06/71/776430671.db2.gz	ATTHYVNVPXQUIP-GFCCVEGCSA-N	-1	0	276.336	2.607	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228386666	776477686	/nfs/dbraw/zinc/47/76/86/776477686.db2.gz	GLUPDMPPMITHIF-SECBINFHSA-N	-1	0	254.717	2.797	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228437209	776491892	/nfs/dbraw/zinc/49/18/92/776491892.db2.gz	GZNNSUQIKPQXQV-GFCCVEGCSA-N	-1	0	288.376	2.522	20	30		CFEDRM
C#C[C@@H](Oc1cc(O)cc(O)c1C(=O)CC)c1ccncc1	ZINC001228553293	776519319	/nfs/dbraw/zinc/51/93/19/776519319.db2.gz	AHGFZGJGRQKBNH-OAHLLOKOSA-N	-1	0	297.310	2.839	20	30		CFEDRM
C=C[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228862140	776636872	/nfs/dbraw/zinc/63/68/72/776636872.db2.gz	LAXQUIFMYFCFAO-YFKPBYRVSA-N	-1	0	278.186	2.668	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1F	ZINC001228898791	776650263	/nfs/dbraw/zinc/65/02/63/776650263.db2.gz	LYKPPTWKDZSWKC-SECBINFHSA-N	-1	0	258.252	2.938	20	30		CFEDRM
CC1(C)CC(Oc2[n-]c(=O)ccc2C#N)CC(C)(C)O1	ZINC001228901579	776651345	/nfs/dbraw/zinc/65/13/45/776651345.db2.gz	MZKONBFEBFTNNP-UHFFFAOYSA-N	-1	0	276.336	2.774	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229382468	776797053	/nfs/dbraw/zinc/79/70/53/776797053.db2.gz	TWENXAHEVSDOFE-SNVBAGLBSA-N	-1	0	281.312	2.913	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2c(C)cccc21	ZINC001229407425	776802412	/nfs/dbraw/zinc/80/24/12/776802412.db2.gz	KUDIDTPGTBALSG-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=CC[C@H](Oc1ncnc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001229610568	776856299	/nfs/dbraw/zinc/85/62/99/776856299.db2.gz	RYBXQULXVRDJOW-NSHDSACASA-N	-1	0	277.711	2.927	20	30		CFEDRM
C=C[C@H](CC)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001229626947	776858879	/nfs/dbraw/zinc/85/88/79/776858879.db2.gz	UWNCGKDHCYOOPH-YPMHNXCESA-N	-1	0	291.372	2.924	20	30		CFEDRM
C=CC[C@@H](Oc1ncc(C(=O)OC)[n-]1)c1ccccc1	ZINC001230281713	776970314	/nfs/dbraw/zinc/97/03/14/776970314.db2.gz	FEPIUMUCHNBRHV-CYBMUJFWSA-N	-1	0	272.304	2.893	20	30		CFEDRM
O=C1C=C[C@@H](Oc2nc3cc(Cl)[n-]c(Cl)c-3n2)C1	ZINC001231050547	777125293	/nfs/dbraw/zinc/12/52/93/777125293.db2.gz	UGYYONLJHSGBLU-ZCFIWIBFSA-N	-1	0	284.102	2.541	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074089	777133114	/nfs/dbraw/zinc/13/31/14/777133114.db2.gz	KQTGBAUPXDQMGP-JOYOIKCWSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347282	777515289	/nfs/dbraw/zinc/51/52/89/777515289.db2.gz	QNFATNGMRHINEI-MRVPVSSYSA-N	-1	0	274.242	2.628	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCOc2ccccc2)c1	ZINC000126785310	777545732	/nfs/dbraw/zinc/54/57/32/777545732.db2.gz	FIWXHHDVOIKTKE-WJDWOHSUSA-N	-1	0	286.287	2.798	20	30		CFEDRM
CCCCCCCC[C@@H](CC)Oc1c([O-])c(=O)c1=O	ZINC001226605624	777586296	/nfs/dbraw/zinc/58/62/96/777586296.db2.gz	IOLDULSLZUYJIG-LLVKDONJSA-N	-1	0	268.353	2.896	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977124	777716423	/nfs/dbraw/zinc/71/64/23/777716423.db2.gz	MYJCEYULUDINOE-LLVKDONJSA-N	-1	0	256.305	2.906	20	30		CFEDRM
Oc1c(F)ccc(CN2CCC(S)CC2)c1F	ZINC001232934331	777724790	/nfs/dbraw/zinc/72/47/90/777724790.db2.gz	FCDPCPIJKMQTGZ-UHFFFAOYSA-N	-1	0	259.321	2.565	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2ncsc21)C(C)C	ZINC001227610225	777858396	/nfs/dbraw/zinc/85/83/96/777858396.db2.gz	JSOPEIIACLQVJI-QMMMGPOBSA-N	-1	0	265.338	2.771	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004345	777991642	/nfs/dbraw/zinc/99/16/42/777991642.db2.gz	JXTPZVFZSYSXJH-QMMMGPOBSA-N	-1	0	279.365	2.596	20	30		CFEDRM
CC(C)[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511126	778240860	/nfs/dbraw/zinc/24/08/60/778240860.db2.gz	JUCVVLKCGMCSMN-SECBINFHSA-N	-1	0	257.293	2.630	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234567102	778253123	/nfs/dbraw/zinc/25/31/23/778253123.db2.gz	CNVDRXKWDHPLCR-SECBINFHSA-N	-1	0	299.168	2.824	20	30		CFEDRM
C[C@H](C#N)N(C)Cc1cc(Br)cc(F)c1[O-]	ZINC001235064447	778368712	/nfs/dbraw/zinc/36/87/12/778368712.db2.gz	DLJNILHYWDTBDR-SSDOTTSWSA-N	-1	0	287.132	2.638	20	30		CFEDRM
N#CCc1cccnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235079613	778373332	/nfs/dbraw/zinc/37/33/32/778373332.db2.gz	ZUDIIXJMTQBEKQ-VMPITWQZSA-N	-1	0	264.284	2.912	20	30		CFEDRM
COc1nc(-c2ccc(/C=C/C(=O)[O-])cc2)c(F)cc1C#N	ZINC001235170213	778402529	/nfs/dbraw/zinc/40/25/29/778402529.db2.gz	RVBQLRNLXSJMEE-QPJJXVBHSA-N	-1	0	298.273	2.866	20	30		CFEDRM
C=CC[C@@H](OCCS(=O)(=O)[O-])c1ccc(Cl)cc1	ZINC001224571412	778580073	/nfs/dbraw/zinc/58/00/73/778580073.db2.gz	LAVQAMKBCLDHBV-GFCCVEGCSA-N	-1	0	290.768	2.862	20	30		CFEDRM
COc1cc(-c2c(F)cc(F)c([O-])c2F)ncc1C#N	ZINC001235985089	778639351	/nfs/dbraw/zinc/63/93/51/778639351.db2.gz	IXPRKEHOJDACBK-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1c(F)cc(F)c([O-])c1F	ZINC001235997594	778647303	/nfs/dbraw/zinc/64/73/03/778647303.db2.gz	FROTYFVWWBSIJA-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
N#CCc1cc(-c2c(F)cc(F)c([O-])c2F)ccn1	ZINC001236002098	778649363	/nfs/dbraw/zinc/64/93/63/778649363.db2.gz	JYKYMCZRLSIMIA-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000909118036	778695413	/nfs/dbraw/zinc/69/54/13/778695413.db2.gz	VHFSZZZSZPXVAR-HNNXBMFYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C[C@H]1CC[C@H](CCC(=O)Nc2cc(C#N)ccc2[O-])O1	ZINC000176410115	779129594	/nfs/dbraw/zinc/12/95/94/779129594.db2.gz	BMLTUJLBBGWVDK-CMPLNLGQSA-N	-1	0	274.320	2.550	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237807902	779184380	/nfs/dbraw/zinc/18/43/80/779184380.db2.gz	NWBINNLSIKGJHR-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2F)c(/C=N/O)c1	ZINC001239247236	779483519	/nfs/dbraw/zinc/48/35/19/779483519.db2.gz	PGOUVNGOZCQRBN-REZTVBANSA-N	-1	0	274.251	2.702	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239254494	779486257	/nfs/dbraw/zinc/48/62/57/779486257.db2.gz	NWTBZDBMWYTHCC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
O=C([O-])c1ccc(-c2cccc(/C=N/O)c2)c(F)c1	ZINC001239261587	779489937	/nfs/dbraw/zinc/48/99/37/779489937.db2.gz	NYSUKLIBSLETBF-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc(C(=O)[O-])cc1F	ZINC001239262829	779490632	/nfs/dbraw/zinc/49/06/32/779490632.db2.gz	YSWQWQMDHWTLSX-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1cccnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239332452	779521656	/nfs/dbraw/zinc/52/16/56/779521656.db2.gz	NOTUTPKTYXAIMS-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1ccnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239332017	779521999	/nfs/dbraw/zinc/52/19/99/779521999.db2.gz	IROVPWRNNMHEPQ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239346244	779530423	/nfs/dbraw/zinc/53/04/23/779530423.db2.gz	WKZQILPFYJBEOZ-UHFFFAOYSA-N	-1	0	289.241	2.554	20	30		CFEDRM
N#CCc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccn1	ZINC001239363565	779539514	/nfs/dbraw/zinc/53/95/14/779539514.db2.gz	UXAAOFVCLKFHCZ-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
COc1ccc(CN2CC[C@](C)(C#N)C2)c([O-])c1Cl	ZINC001236809189	779641851	/nfs/dbraw/zinc/64/18/51/779641851.db2.gz	KDZPSSDPQITTHU-CQSZACIVSA-N	-1	0	280.755	2.790	20	30		CFEDRM
N#Cc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)c(F)c1	ZINC001240546229	780240000	/nfs/dbraw/zinc/24/00/00/780240000.db2.gz	DUTASKNAXYBKOY-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc(C=CC(=O)[O-])c3)ncc12	ZINC001240547460	780241661	/nfs/dbraw/zinc/24/16/61/780241661.db2.gz	PVAURRAXZYKLFH-SNAWJCMRSA-N	-1	0	290.282	2.594	20	30		CFEDRM
N#CCc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1	ZINC001240548431	780242409	/nfs/dbraw/zinc/24/24/09/780242409.db2.gz	RSBCWAGTYGULPW-FNORWQNLSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)cnc1F	ZINC001240549720	780244160	/nfs/dbraw/zinc/24/41/60/780244160.db2.gz	BLRPFNMEJTXDIO-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
C=CC[C@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001116905759	780257351	/nfs/dbraw/zinc/25/73/51/780257351.db2.gz	AABBWHIYOCZFJM-STQMWFEESA-N	-1	0	267.369	2.738	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])cc2OC)c1	ZINC001240736409	780403266	/nfs/dbraw/zinc/40/32/66/780403266.db2.gz	DYUNWVVVRKSUSN-UHFFFAOYSA-N	-1	0	267.284	2.827	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cnc2[nH]cc(C#N)c2c1	ZINC001240736892	780404138	/nfs/dbraw/zinc/40/41/38/780404138.db2.gz	KTACPIOFJXFKQM-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])s2)c(C#N)c1	ZINC001240847301	780473555	/nfs/dbraw/zinc/47/35/55/780473555.db2.gz	RQUQGYLMORSDDE-UHFFFAOYSA-N	-1	0	254.270	2.857	20	30		CFEDRM
CCc1nnc(-c2ccc(CC(=O)[O-])cc2)c(C#N)c1CC	ZINC001240974435	780563776	/nfs/dbraw/zinc/56/37/76/780563776.db2.gz	OWOMWQQXWDEINJ-UHFFFAOYSA-N	-1	0	295.342	2.767	20	30		CFEDRM
N#Cc1ccncc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212510825	780598647	/nfs/dbraw/zinc/59/86/47/780598647.db2.gz	DSOHDQGBCKHRKN-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])c(F)c2)c(F)cc1C#N	ZINC001241184297	780688634	/nfs/dbraw/zinc/68/86/34/780688634.db2.gz	ATTXOXCLZQONFU-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241244074	780728000	/nfs/dbraw/zinc/72/80/00/780728000.db2.gz	WPOSRIVNVVDVIC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241246507	780731391	/nfs/dbraw/zinc/73/13/91/780731391.db2.gz	XXSBRIZNKNDSTE-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
N#CCCN=c1[n-]nc(-c2ccccc2Cl)s1	ZINC000362672224	780761899	/nfs/dbraw/zinc/76/18/99/780761899.db2.gz	YUZUZGCRPUEUOM-UHFFFAOYSA-N	-1	0	264.741	2.606	20	30		CFEDRM
N#CCCN=c1[n-]nc(Cc2ccc(Cl)cc2)s1	ZINC000362680680	780766060	/nfs/dbraw/zinc/76/60/60/780766060.db2.gz	KAFBAUWIYPEWSY-UHFFFAOYSA-N	-1	0	278.768	2.530	20	30		CFEDRM
N#Cc1cnccc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241348998	780801658	/nfs/dbraw/zinc/80/16/58/780801658.db2.gz	GSFDIXIIZQXTFL-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#CCc1cnc(F)c(-c2cccc(C(=O)[O-])c2)c1	ZINC001241360805	780811815	/nfs/dbraw/zinc/81/18/15/780811815.db2.gz	KYSPENAYWYWONY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ccc(-c2ccccc2/C=C/C(=O)[O-])cn1	ZINC001241428113	780875422	/nfs/dbraw/zinc/87/54/22/780875422.db2.gz	DVWLRFHHQZKAEM-SOFGYWHQSA-N	-1	0	250.257	2.718	20	30		CFEDRM
CCCCCCCNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000703716930	781049197	/nfs/dbraw/zinc/04/91/97/781049197.db2.gz	JCOVVBARPPFJPU-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
CCCCCCCNC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000703716929	781049484	/nfs/dbraw/zinc/04/94/84/781049484.db2.gz	JCOVVBARPPFJPU-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
CCCCCCCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC000703748195	781051206	/nfs/dbraw/zinc/05/12/06/781051206.db2.gz	LMXGSLLDEAOBFE-UHFFFAOYSA-N	-1	0	267.325	2.986	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C1(C(=O)[O-])CCSCC1	ZINC000704002372	781082585	/nfs/dbraw/zinc/08/25/85/781082585.db2.gz	BQUFMUBQNITMIQ-UHFFFAOYSA-N	-1	0	299.436	2.693	20	30		CFEDRM
N#Cc1ncc(-c2cncc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001241801433	781132716	/nfs/dbraw/zinc/13/27/16/781132716.db2.gz	KHXMYIIFDWQEDY-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1nc2c(cccc2-c2cncc(C(=O)[O-])c2)s1	ZINC001241801736	781133449	/nfs/dbraw/zinc/13/34/49/781133449.db2.gz	KABDPCMLQWXEPM-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
Cc1cc(CC#N)ccc1-c1cncc(C(=O)[O-])c1	ZINC001241804170	781135087	/nfs/dbraw/zinc/13/50/87/781135087.db2.gz	HAWCSLLTOAMNHS-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cn1	ZINC001241828580	781146729	/nfs/dbraw/zinc/14/67/29/781146729.db2.gz	FXELARYWLQSHQH-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1ncccc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241835767	781150168	/nfs/dbraw/zinc/15/01/68/781150168.db2.gz	VQKLLIJLXPBSNY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1nccc(-c2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001241840446	781153148	/nfs/dbraw/zinc/15/31/48/781153148.db2.gz	LYTPJCZBZRZHIS-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2nc(C)ccc2CC#N)cc1C(=O)[O-]	ZINC001241862807	781157293	/nfs/dbraw/zinc/15/72/93/781157293.db2.gz	ZAPBFVAGFZKEEK-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1ccc(-c2ccc(OC)c(C(=O)[O-])c2)nc1CC#N	ZINC001241866183	781158396	/nfs/dbraw/zinc/15/83/96/781158396.db2.gz	ZJMMWPGAMOUKSA-UHFFFAOYSA-N	-1	0	298.298	2.530	20	30		CFEDRM
C#Cc1cccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c1	ZINC001241918905	781181893	/nfs/dbraw/zinc/18/18/93/781181893.db2.gz	TWKYIQUVUJZRNK-UHFFFAOYSA-N	-1	0	292.216	2.842	20	30		CFEDRM
N#CC1(c2ccc(-c3cnn(CC(=O)[O-])c3)cc2)CCCC1	ZINC001242183535	781316369	/nfs/dbraw/zinc/31/63/69/781316369.db2.gz	RALOQMLUGAZPDC-UHFFFAOYSA-N	-1	0	295.342	2.970	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242261492	781346804	/nfs/dbraw/zinc/34/68/04/781346804.db2.gz	HGCMLSFDDLHOEV-UHFFFAOYSA-N	-1	0	284.315	2.644	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(CC(=O)[O-])c2)c(C#N)c1	ZINC001242263683	781348684	/nfs/dbraw/zinc/34/86/84/781348684.db2.gz	NLUSSJAQWWRASZ-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
COc1ccc(CC#N)cc1-c1ccc(C(=O)[O-])nc1	ZINC001242335742	781406581	/nfs/dbraw/zinc/40/65/81/781406581.db2.gz	NQIQCOYNTHZQMX-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])nc2)cc1F	ZINC001242335989	781406626	/nfs/dbraw/zinc/40/66/26/781406626.db2.gz	VGQSMCQNCVSIBF-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cnc(-c2cccc(Cl)c2[O-])c(C#N)c1	ZINC001242362996	781436223	/nfs/dbraw/zinc/43/62/23/781436223.db2.gz	TTZOZQMVZOGLIY-UHFFFAOYSA-N	-1	0	255.664	2.851	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1cccc(C(=O)[O-])c1F	ZINC001242377791	781446577	/nfs/dbraw/zinc/44/65/77/781446577.db2.gz	HJHUUCZNXOPSRE-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cnc(-c2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001242378110	781446883	/nfs/dbraw/zinc/44/68/83/781446883.db2.gz	LXFKFIKSLOCNLU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242378860	781448162	/nfs/dbraw/zinc/44/81/62/781448162.db2.gz	PEBJGUYKSMXEBP-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
[O-]N=Cc1ccccc1-c1cnn(C(F)(F)F)c1	ZINC001242465516	781520422	/nfs/dbraw/zinc/52/04/22/781520422.db2.gz	FHYGQVLCEAIAEL-UHFFFAOYSA-N	-1	0	255.199	2.835	20	30		CFEDRM
Cc1cc(C#N)ccc1-c1ccccc1S(=O)(=O)[O-]	ZINC001242472833	781528022	/nfs/dbraw/zinc/52/80/22/781528022.db2.gz	KZVGAIPICFCLFE-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc([O-])c(C#N)c2)c(C#N)c1	ZINC001242563689	781602370	/nfs/dbraw/zinc/60/23/70/781602370.db2.gz	IKCCWGHZMGDTDB-UHFFFAOYSA-N	-1	0	278.267	2.589	20	30		CFEDRM
Cc1ccc(-c2cnc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001242593060	781625090	/nfs/dbraw/zinc/62/50/90/781625090.db2.gz	GJAGRPJZIMPXJA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1nc(C)nc(-c2cccc([S-])c2)c1C#N	ZINC001242866449	781810730	/nfs/dbraw/zinc/81/07/30/781810730.db2.gz	ZNVBDWRDHULBAU-UHFFFAOYSA-N	-1	0	257.318	2.621	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccccc1C(=O)[O-]	ZINC001242878355	781817615	/nfs/dbraw/zinc/81/76/15/781817615.db2.gz	LHSZIKXUKZPIAU-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COc1cccc(-c2cccc(C(=O)[O-])c2OC)c1C#N	ZINC001242923180	781845118	/nfs/dbraw/zinc/84/51/18/781845118.db2.gz	AWDVEAVYPYTDCR-UHFFFAOYSA-N	-1	0	283.283	2.941	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cncc(CC#N)c1	ZINC001242922907	781845368	/nfs/dbraw/zinc/84/53/68/781845368.db2.gz	WHJOIHCNLLNIMY-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
C[C@H](Nc1ccc(C#N)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594541337	349444259	/nfs/dbraw/zinc/44/42/59/349444259.db2.gz	RRJKICPJQTWUAA-TVYUQYBPSA-N	-1	0	273.336	2.501	20	30		CFEDRM
CC(C)Cc1nc(=NCc2cc(C#N)cs2)s[n-]1	ZINC000594736866	349484983	/nfs/dbraw/zinc/48/49/83/349484983.db2.gz	QOKWVZQGJQHPNE-UHFFFAOYSA-N	-1	0	278.406	2.704	20	30		CFEDRM
Cc1ccc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)o1	ZINC000594871932	349491747	/nfs/dbraw/zinc/49/17/47/349491747.db2.gz	GAHQTIZEYQNDTR-UHFFFAOYSA-N	-1	0	282.299	2.648	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000594734217	349484174	/nfs/dbraw/zinc/48/41/74/349484174.db2.gz	SYXSBHCWYOTIMI-UHFFFAOYSA-N	-1	0	296.374	2.956	20	30		CFEDRM
N#Cc1cc2cccnc2nc1NCCCCCC(=O)[O-]	ZINC000595967146	349772845	/nfs/dbraw/zinc/77/28/45/349772845.db2.gz	YCXKJXZMMHWWEA-UHFFFAOYSA-N	-1	0	284.319	2.558	20	30		CFEDRM
N#Cc1[n-]c(=NCCOC2CCCCC2)sc1Cl	ZINC000596084952	349790642	/nfs/dbraw/zinc/79/06/42/349790642.db2.gz	PVHXRCRIBSKIGF-UHFFFAOYSA-N	-1	0	285.800	2.851	20	30		CFEDRM
CCCC(O)(CCC)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596137206	349804729	/nfs/dbraw/zinc/80/47/29/349804729.db2.gz	XLAWRWCPQVFNKV-UHFFFAOYSA-N	-1	0	287.816	2.833	20	30		CFEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000344627337	529721039	/nfs/dbraw/zinc/72/10/39/529721039.db2.gz	DOZYURIQOYNWOI-SECBINFHSA-N	-1	0	275.333	2.800	20	30		CFEDRM
N#CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1	ZINC000073054788	346957697	/nfs/dbraw/zinc/95/76/97/346957697.db2.gz	CGDABUDCBGEAJH-UHFFFAOYSA-N	-1	0	273.317	2.619	20	30		CFEDRM
CC(C)[C@@H]1C[C@H]1CNc1nc(C#N)c(Cl)s1	ZINC000596258211	349843687	/nfs/dbraw/zinc/84/36/87/349843687.db2.gz	XIAGRLGFWLYNLM-YUMQZZPRSA-N	-1	0	255.774	2.794	20	30		CFEDRM
CO[C@](C)([C@@H](C)N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596271823	349849396	/nfs/dbraw/zinc/84/93/96/349849396.db2.gz	CPEVGRUEPOKDEF-JMCQJSRRSA-N	-1	0	285.800	2.706	20	30		CFEDRM
CC(C)c1n[n-]c(=NCCc2ccc(C#N)cc2)s1	ZINC000596320493	349862838	/nfs/dbraw/zinc/86/28/38/349862838.db2.gz	NZRCYSBUUWATFK-UHFFFAOYSA-N	-1	0	272.377	2.610	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@H]2CCCC[C@H]2C)c1O	ZINC000005110700	346210370	/nfs/dbraw/zinc/21/03/70/346210370.db2.gz	WBQLJQFQLBCBQB-QBXHWNAFSA-N	-1	0	262.353	2.586	20	30		CFEDRM
Cc1ccccc1C/N=C/c1c(O)c(C)ncc1CO	ZINC000005110966	346210443	/nfs/dbraw/zinc/21/04/43/346210443.db2.gz	VZJIZWMEUUBINM-RQZCQDPDSA-N	-1	0	270.332	2.515	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000076905496	347160062	/nfs/dbraw/zinc/16/00/62/347160062.db2.gz	NJXPRCDNUYJHRW-CMDGGOBGSA-N	-1	0	257.355	2.572	20	30		CFEDRM
CC(C)[C@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000087506839	347496289	/nfs/dbraw/zinc/49/62/89/347496289.db2.gz	GPRGIWWHJCMVLM-NSHDSACASA-N	-1	0	266.728	2.980	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1cc2ccccc2o1	ZINC000089288749	347515517	/nfs/dbraw/zinc/51/55/17/347515517.db2.gz	UXLFLQRRAINRCY-BQYQJAHWSA-N	-1	0	291.328	2.918	20	30		CFEDRM
N#CC1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1	ZINC000094150801	347692888	/nfs/dbraw/zinc/69/28/88/347692888.db2.gz	WZMHQACDAAGBQV-UHFFFAOYSA-N	-1	0	286.718	2.985	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2n[nH]c3c2CCCC3)n1	ZINC000122764274	347817257	/nfs/dbraw/zinc/81/72/57/347817257.db2.gz	QKPTYBGAHNAXHT-SNVBAGLBSA-N	-1	0	286.360	2.544	20	30		CFEDRM
CC[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])OC	ZINC000290660384	348352939	/nfs/dbraw/zinc/35/29/39/348352939.db2.gz	XOKQEYUBEDKWBI-XPWNQWCVSA-N	-1	0	286.715	2.798	20	30		CFEDRM
C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC000311567902	348413867	/nfs/dbraw/zinc/41/38/67/348413867.db2.gz	QCHYUHGRJMWXAH-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CC(=C([O-])c1sccc1OC(F)F)c1ccncn1	ZINC000354471496	348501253	/nfs/dbraw/zinc/50/12/53/348501253.db2.gz	OBJGPTBFNCGICC-ZETCQYMHSA-N	-1	0	295.270	2.630	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000566483404	348662571	/nfs/dbraw/zinc/66/25/71/348662571.db2.gz	LHLIXFGDESYJEV-JOCQHMNTSA-N	-1	0	267.369	2.740	20	30		CFEDRM
N#C[C@@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591269697	349005243	/nfs/dbraw/zinc/00/52/43/349005243.db2.gz	QHNPCKCVHIXZRE-OCCSQVGLSA-N	-1	0	258.321	2.808	20	30		CFEDRM
CCCN(CC(=O)[O-])c1c(C#N)cnc2c(C)cccc21	ZINC000591325292	349009402	/nfs/dbraw/zinc/00/94/02/349009402.db2.gz	MJBACCHOKCUCIG-UHFFFAOYSA-N	-1	0	283.331	2.716	20	30		CFEDRM
N#Cc1cc(NC2CCC(C(=O)[O-])CC2)c2ccccc2n1	ZINC000591326783	349010453	/nfs/dbraw/zinc/01/04/53/349010453.db2.gz	VDHBIDXACZMGOI-UHFFFAOYSA-N	-1	0	295.342	2.584	20	30		CFEDRM
N#CC1CCC(CNc2ncccc2C(=O)[O-])CC1	ZINC000592420583	349117866	/nfs/dbraw/zinc/11/78/66/349117866.db2.gz	DRDDOVRVVRCSAP-UHFFFAOYSA-N	-1	0	259.309	2.522	20	30		CFEDRM
C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C(=O)[O-]	ZINC000592421098	349119002	/nfs/dbraw/zinc/11/90/02/349119002.db2.gz	MTIXGONVCBOBNG-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#CC1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1	ZINC000594256908	349401386	/nfs/dbraw/zinc/40/13/86/349401386.db2.gz	XSFBAEUGHQTBNN-UHFFFAOYSA-N	-1	0	298.264	2.787	20	30		CFEDRM
CC1(NS(=O)(=O)c2cccc(Cl)c2C#N)CC=CC1	ZINC000594472570	349427537	/nfs/dbraw/zinc/42/75/37/349427537.db2.gz	DTOJRZVEWSVNBP-UHFFFAOYSA-N	-1	0	296.779	2.599	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1	ZINC000597997058	350175259	/nfs/dbraw/zinc/17/52/59/350175259.db2.gz	FFGZDFCGDSTHBO-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
CCCC[C@H](Sc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000600674756	350594770	/nfs/dbraw/zinc/59/47/70/350594770.db2.gz	HLCWXLQLAVULDW-NSHDSACASA-N	-1	0	264.350	2.997	20	30		CFEDRM
CCCC[C@@H](Sc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000600674755	350594888	/nfs/dbraw/zinc/59/48/88/350594888.db2.gz	HLCWXLQLAVULDW-LLVKDONJSA-N	-1	0	264.350	2.997	20	30		CFEDRM
C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CC[C@H]1C(=O)[O-]	ZINC000600798421	350614430	/nfs/dbraw/zinc/61/44/30/350614430.db2.gz	BMSFCMYGRPTKHW-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@@H]1CN(c2c(Cl)cccc2C#N)CC[C@H]1C(=O)[O-]	ZINC000600802128	350614549	/nfs/dbraw/zinc/61/45/49/350614549.db2.gz	SMEAFXVMHPGGDC-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cccc(-c2nc(=NCCCC#N)s[n-]2)c1	ZINC000601141650	350680772	/nfs/dbraw/zinc/68/07/72/350680772.db2.gz	NJRQSUQWWAXXIE-UHFFFAOYSA-N	-1	0	258.350	2.651	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1CCC#N	ZINC000601948445	350815606	/nfs/dbraw/zinc/81/56/06/350815606.db2.gz	GTYULGWTOMIZGV-SECBINFHSA-N	-1	0	281.237	2.746	20	30		CFEDRM
CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCC[C@H]1C#N	ZINC000601821771	350785624	/nfs/dbraw/zinc/78/56/24/350785624.db2.gz	SXNHMOTZRVUZDT-UFBFGSQYSA-N	-1	0	296.729	2.949	20	30		CFEDRM
Cc1[n-]n(Cc2cccc(C)c2)c(=O)c1CCC#N	ZINC000601937353	350809375	/nfs/dbraw/zinc/80/93/75/350809375.db2.gz	AIHXXXCYCCAIHG-AWEZNQCLSA-N	-1	0	255.321	2.633	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)CCCCCC3)o1	ZINC000601941574	350810881	/nfs/dbraw/zinc/81/08/81/350810881.db2.gz	XGPYYROPHYDUGR-SNVBAGLBSA-N	-1	0	272.308	2.528	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(Cl)cc2)c(=O)c1CCC#N	ZINC000601941281	350811202	/nfs/dbraw/zinc/81/12/02/350811202.db2.gz	WOYIRVXNZJEHTK-CYBMUJFWSA-N	-1	0	275.739	2.978	20	30		CFEDRM
Cc1[n-]n([C@H](C)c2ccccc2)c(=O)c1CCC#N	ZINC000601941008	350811230	/nfs/dbraw/zinc/81/12/30/350811230.db2.gz	WMOUJRGRDRWXMN-TZMCWYRMSA-N	-1	0	255.321	2.886	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(F)cc2F)c(=O)c1CCC#N	ZINC000601941683	350811440	/nfs/dbraw/zinc/81/14/40/350811440.db2.gz	ZTBUTDXTEBYDPV-LBPRGKRZSA-N	-1	0	277.274	2.603	20	30		CFEDRM
CC[C@@H](C)c1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC000601945927	350813373	/nfs/dbraw/zinc/81/33/73/350813373.db2.gz	VXWOEMJUMHDPNX-LLVKDONJSA-N	-1	0	255.321	2.693	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccccc1	ZINC000612707566	351854639	/nfs/dbraw/zinc/85/46/39/351854639.db2.gz	AFHBMIVKGFCFNI-CYBMUJFWSA-N	-1	0	285.347	2.563	20	30		CFEDRM
CSc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccn1	ZINC000615430280	352192452	/nfs/dbraw/zinc/19/24/52/352192452.db2.gz	CUENQQTWRDBBST-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	ZINC000330200248	539886102	/nfs/dbraw/zinc/88/61/02/539886102.db2.gz	ABZCTXDFXWVVSM-LPEHRKFASA-N	-1	0	266.370	2.833	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)CSc1ccc(C#N)cc1	ZINC000292136282	198177206	/nfs/dbraw/zinc/17/72/06/198177206.db2.gz	QHUFWVLEIYRXMU-LLVKDONJSA-N	-1	0	278.377	2.744	20	30		CFEDRM
CC(C)c1noc(=NCc2ccc(C#N)c(Cl)c2)[n-]1	ZINC000619746536	353062698	/nfs/dbraw/zinc/06/26/98/353062698.db2.gz	CEVGVGJISPUCAD-UHFFFAOYSA-N	-1	0	276.727	2.752	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)N=c2[n-]nc(CC(C)C)s2)C1	ZINC000626207547	354231274	/nfs/dbraw/zinc/23/12/74/354231274.db2.gz	KUINPNDKKOZCSR-LLVKDONJSA-N	-1	0	294.424	2.588	20	30		CFEDRM
Cc1nocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626467598	354272471	/nfs/dbraw/zinc/27/24/71/354272471.db2.gz	ZIXBUXQWKVCFBZ-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630228739	355030373	/nfs/dbraw/zinc/03/03/73/355030373.db2.gz	CVZSTYWFACFZRH-UHFFFAOYSA-N	-1	0	265.309	2.618	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630248046	355033125	/nfs/dbraw/zinc/03/31/25/355033125.db2.gz	QPWAAIHRAZCYDJ-MLGOLLRUSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1	ZINC000630242711	355033442	/nfs/dbraw/zinc/03/34/42/355033442.db2.gz	MXWNSSCPNDOEJO-UHFFFAOYSA-N	-1	0	294.376	2.514	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630248048	355033562	/nfs/dbraw/zinc/03/35/62/355033562.db2.gz	QPWAAIHRAZCYDJ-WBMJQRKESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)CC1CCC(C(=O)[O-])CC1	ZINC000630289013	355038867	/nfs/dbraw/zinc/03/88/67/355038867.db2.gz	MCXHBQUVUDVZGB-WXRRBKDZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCN(C(=O)C[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000630288320	355039000	/nfs/dbraw/zinc/03/90/00/355039000.db2.gz	JQEONLCGOAOEOC-LBPRGKRZSA-N	-1	0	261.321	2.707	20	30		CFEDRM
C=CCC1(CNC(=O)C2(C(=O)[O-])CCCC2)CCCC1	ZINC000630292145	355041187	/nfs/dbraw/zinc/04/11/87/355041187.db2.gz	KNSDUVXJMJYCCA-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=CCC1(CNC(=O)CC2(C(=O)[O-])CCC2)CCCC1	ZINC000630292194	355041294	/nfs/dbraw/zinc/04/12/94/355041294.db2.gz	LGZRUPKYMZBSQD-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cncc(C(=O)[O-])c1	ZINC000630203723	355027732	/nfs/dbraw/zinc/02/77/32/355027732.db2.gz	DLIOLTQQDONCDC-RISCZKNCSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630301854	355046588	/nfs/dbraw/zinc/04/65/88/355046588.db2.gz	QQKKXRVZTRQNIY-LLVKDONJSA-N	-1	0	277.295	2.705	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C1CCC(C(=O)[O-])CC1	ZINC000630313855	355048493	/nfs/dbraw/zinc/04/84/93/355048493.db2.gz	LIBBNWNFVYMYLI-UHFFFAOYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1sc(CCC)nc1C)C(=O)[O-]	ZINC000630317484	355049400	/nfs/dbraw/zinc/04/94/00/355049400.db2.gz	QKJZUBHPWWCVSD-JTQLQIEISA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000630318951	355049425	/nfs/dbraw/zinc/04/94/25/355049425.db2.gz	OXYCGKJAWWROBG-GFCCVEGCSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1cccc(Cl)c1)C(=O)[O-]	ZINC000630318464	355049433	/nfs/dbraw/zinc/04/94/33/355049433.db2.gz	HMYBQGADUBYJTR-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000630318982	355050054	/nfs/dbraw/zinc/05/00/54/355050054.db2.gz	PMEDVBRUAAWRJF-NSHDSACASA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000630319716	355050076	/nfs/dbraw/zinc/05/00/76/355050076.db2.gz	GOHJQRFMIJVRLC-GFCCVEGCSA-N	-1	0	279.336	2.861	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000630320116	355050191	/nfs/dbraw/zinc/05/01/91/355050191.db2.gz	PETBNDMLYSGCFS-DZGCQCFKSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000630320970	355050792	/nfs/dbraw/zinc/05/07/92/355050792.db2.gz	CXCXSSTWBMZRDT-CQSZACIVSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)C(=O)[O-]	ZINC000630320482	355050836	/nfs/dbraw/zinc/05/08/36/355050836.db2.gz	XIPZDWDEIYUIPO-SRVKXCTJSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000630324503	355052408	/nfs/dbraw/zinc/05/24/08/355052408.db2.gz	FERSVJORVRQZOZ-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000630325793	355052428	/nfs/dbraw/zinc/05/24/28/355052428.db2.gz	LUPNSIRBWNWDKV-AAEUAGOBSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000630326979	355053007	/nfs/dbraw/zinc/05/30/07/355053007.db2.gz	UTDBIMJKCZVRLT-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC1(C(=O)NCc2cc(C)c(C(=O)[O-])o2)CCC1	ZINC000630331899	355053956	/nfs/dbraw/zinc/05/39/56/355053956.db2.gz	RXTGDWCBXCIUOY-UHFFFAOYSA-N	-1	0	277.320	2.649	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(C)cc(F)c1)C(=O)[O-]	ZINC000630543057	355107631	/nfs/dbraw/zinc/10/76/31/355107631.db2.gz	APRYSPIXAHYEFV-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C#CCO[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000297020723	200063714	/nfs/dbraw/zinc/06/37/14/200063714.db2.gz	GWBDWMBFDLIDOG-ZETCQYMHSA-N	-1	0	288.130	2.676	20	30		CFEDRM
C[C@@H](CN(C)c1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000263550941	383680924	/nfs/dbraw/zinc/68/09/24/383680924.db2.gz	KVSIPTGQGWHHMR-QMMMGPOBSA-N	-1	0	286.253	2.734	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000666104128	540989340	/nfs/dbraw/zinc/98/93/40/540989340.db2.gz	DDPJSHMALYFZOF-CQSZACIVSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000314989237	541047801	/nfs/dbraw/zinc/04/78/01/541047801.db2.gz	VEDKIBZCDZAMKH-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
CC(=Cc1ccc(C#N)cc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435335644	240303508	/nfs/dbraw/zinc/30/35/08/240303508.db2.gz	JYUJCEMYAMBGCN-WEVVVXLNSA-N	-1	0	294.289	2.521	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1	ZINC000028437177	372365453	/nfs/dbraw/zinc/36/54/53/372365453.db2.gz	MYAPIBVNSWYIED-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1	ZINC000049513826	373305631	/nfs/dbraw/zinc/30/56/31/373305631.db2.gz	JVOSCKOTQSKKGQ-UHFFFAOYSA-N	-1	0	281.377	2.962	20	30		CFEDRM
N#Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1	ZINC000049513542	373306223	/nfs/dbraw/zinc/30/62/23/373306223.db2.gz	NCSCUPYOTLDXKG-UHFFFAOYSA-N	-1	0	292.360	2.525	20	30		CFEDRM
CCc1cc(C#N)c([N-]S(=O)(=O)CCC2CC2)s1	ZINC000571408070	383692213	/nfs/dbraw/zinc/69/22/13/383692213.db2.gz	KIXFXIZPWSCFBZ-UHFFFAOYSA-N	-1	0	284.406	2.724	20	30		CFEDRM
C[C@H]1C[C@H](CC(=O)[N-]S(C)(=O)=O)CC(C)(C)C1	ZINC000067600061	373987532	/nfs/dbraw/zinc/98/75/32/373987532.db2.gz	GRPPBELDCHOOAW-VHSXEESVSA-N	-1	0	261.387	2.755	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000073845920	374391401	/nfs/dbraw/zinc/39/14/01/374391401.db2.gz	MCPSJVNMMYKYMD-UHFFFAOYSA-N	-1	0	299.374	2.512	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)c(F)c1	ZINC000075040437	374455972	/nfs/dbraw/zinc/45/59/72/374455972.db2.gz	KOIZFHGNQZRNBP-UHFFFAOYSA-N	-1	0	271.313	2.579	20	30		CFEDRM
COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000097261611	375546224	/nfs/dbraw/zinc/54/62/24/375546224.db2.gz	OESFSDDPUIWTPC-LLVKDONJSA-N	-1	0	295.298	2.792	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)co1	ZINC000122691063	376937601	/nfs/dbraw/zinc/93/76/01/376937601.db2.gz	MKGVCDPEXFKVMR-VIFPVBQESA-N	-1	0	280.287	2.603	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000130367818	377545250	/nfs/dbraw/zinc/54/52/50/377545250.db2.gz	IDNGEWJYNUMWAC-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CCN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)C1CC1	ZINC000162185704	378898811	/nfs/dbraw/zinc/89/88/11/378898811.db2.gz	GDFXWYTXXWHYNU-KRWDZBQOSA-N	-1	0	287.359	2.596	20	30		CFEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(C)(C)C2)[n-]1	ZINC000334455833	379329879	/nfs/dbraw/zinc/32/98/79/379329879.db2.gz	GOOSWWUKHJOZQD-NSHDSACASA-N	-1	0	288.395	2.696	20	30		CFEDRM
Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000335728179	379793374	/nfs/dbraw/zinc/79/33/74/379793374.db2.gz	JAZXDUATHLVJQV-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@](C)(CC)C(F)(F)F	ZINC000571975924	383742737	/nfs/dbraw/zinc/74/27/37/383742737.db2.gz	WXMKLAXAJYWBAL-SECBINFHSA-N	-1	0	273.320	2.603	20	30		CFEDRM
Cc1ocnc1C(=O)Nc1sc(C)c(C)c1C#N	ZINC000335914906	380099470	/nfs/dbraw/zinc/09/94/70/380099470.db2.gz	KRHVXSWRKPOVDQ-UHFFFAOYSA-N	-1	0	261.306	2.785	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(C)(C)C2)[n-]1	ZINC000335980138	380190885	/nfs/dbraw/zinc/19/08/85/380190885.db2.gz	MRSOMFNLFAFMOM-LLVKDONJSA-N	-1	0	274.368	2.522	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000336160770	380275843	/nfs/dbraw/zinc/27/58/43/380275843.db2.gz	DKJIEXLFROADBW-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
C[C@H](C#N)CSc1ccccc1NC(=O)CCC(=O)[O-]	ZINC000179079151	380506936	/nfs/dbraw/zinc/50/69/36/380506936.db2.gz	OZVPSKPYEVADEZ-SNVBAGLBSA-N	-1	0	292.360	2.742	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529697833	383748185	/nfs/dbraw/zinc/74/81/85/383748185.db2.gz	KGKHXLGJBMLYEU-VIFPVBQESA-N	-1	0	265.382	2.552	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1	ZINC000181147635	380747899	/nfs/dbraw/zinc/74/78/99/380747899.db2.gz	KTNLJRNXTFRAQC-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000347243108	381024795	/nfs/dbraw/zinc/02/47/95/381024795.db2.gz	UEOIQMRFHQUEPO-HNNXBMFYSA-N	-1	0	284.290	2.805	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)o1	ZINC000182767295	381153814	/nfs/dbraw/zinc/15/38/14/381153814.db2.gz	IBPXRVUNOADEJS-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000183566269	381287237	/nfs/dbraw/zinc/28/72/37/381287237.db2.gz	AYUFOAYCKJWQDF-UHFFFAOYSA-N	-1	0	298.264	2.575	20	30		CFEDRM
N#CC(=C([O-])c1ncccc1C(F)(F)F)c1ccccn1	ZINC000183482365	381277732	/nfs/dbraw/zinc/27/77/32/381277732.db2.gz	UKOQBLVPIKOUDF-VIFPVBQESA-N	-1	0	291.232	2.985	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000183860755	381330962	/nfs/dbraw/zinc/33/09/62/381330962.db2.gz	IPIJQZKKGHKKIX-SECBINFHSA-N	-1	0	275.333	2.539	20	30		CFEDRM
COCc1ncsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000342447702	381337279	/nfs/dbraw/zinc/33/72/79/381337279.db2.gz	MVHOTCBETNAZRL-QMMMGPOBSA-N	-1	0	293.373	2.545	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Sc1ccccc1Cl	ZINC000291224296	381713823	/nfs/dbraw/zinc/71/38/23/381713823.db2.gz	JUCYLHFEQYPGRV-VIFPVBQESA-N	-1	0	269.753	2.502	20	30		CFEDRM
Cc1csc(NC(=O)CC(C)(C)CC(=O)[O-])c1C#N	ZINC000349005980	381788115	/nfs/dbraw/zinc/78/81/15/381788115.db2.gz	NOUBDPHDOAQTPD-UHFFFAOYSA-N	-1	0	280.349	2.758	20	30		CFEDRM
CCCc1nc(=NCC2CCC(C#N)CC2)s[n-]1	ZINC000360085932	381763253	/nfs/dbraw/zinc/76/32/53/381763253.db2.gz	BHKVXFYPQSYDFA-UHFFFAOYSA-N	-1	0	264.398	2.654	20	30		CFEDRM
CC[C@@H](C)CONC(=O)Nc1cc(C#N)ccc1OC	ZINC000292909589	381897296	/nfs/dbraw/zinc/89/72/96/381897296.db2.gz	KQKWOUNDOKHHPQ-SNVBAGLBSA-N	-1	0	277.324	2.666	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnccc2C)n1	ZINC000357013473	381962463	/nfs/dbraw/zinc/96/24/63/381962463.db2.gz	MESGXAZPWJYGFB-JTQLQIEISA-N	-1	0	257.318	2.645	20	30		CFEDRM
N#Cc1csc(CN=c2[n-]nc(-c3ccccc3)o2)c1	ZINC000357184655	382044838	/nfs/dbraw/zinc/04/48/38/382044838.db2.gz	DVTYUIANBMPGMH-UHFFFAOYSA-N	-1	0	282.328	2.704	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)N=c1cccn[n-]1	ZINC000344023965	382073567	/nfs/dbraw/zinc/07/35/67/382073567.db2.gz	BRETUVLWYUTZHB-UHFFFAOYSA-N	-1	0	282.347	2.509	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(=O)[nH]c(C3CC3)c2)n1	ZINC000187466846	382190266	/nfs/dbraw/zinc/19/02/66/382190266.db2.gz	QWMYFWLMWRIBCU-NSHDSACASA-N	-1	0	299.355	2.507	20	30		CFEDRM
CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2ccncn2)nc1	ZINC000346000646	382326690	/nfs/dbraw/zinc/32/66/90/382326690.db2.gz	YWYPTBUIGGLTSD-LBPRGKRZSA-N	-1	0	296.330	2.539	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000352489103	382361960	/nfs/dbraw/zinc/36/19/60/382361960.db2.gz	XVDNFVWEFZKFCL-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(F)c2)cc1[O-]	ZINC000188208702	382366710	/nfs/dbraw/zinc/36/67/10/382366710.db2.gz	DUNPJIZHFVBYDI-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
C=CCC(F)(F)C(=O)N[C@H](C1CC1)C(F)(F)F	ZINC000294181694	382448908	/nfs/dbraw/zinc/44/89/08/382448908.db2.gz	WWXFUCIYMUWMRO-SSDOTTSWSA-N	-1	0	257.202	2.655	20	30		CFEDRM
N#CC(=C([O-])c1ncoc1-c1ccccc1)c1ccncn1	ZINC000680617250	542342870	/nfs/dbraw/zinc/34/28/70/542342870.db2.gz	KRBZWOQQLTYADE-LBPRGKRZSA-N	-1	0	290.282	2.622	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000316374663	382530536	/nfs/dbraw/zinc/53/05/36/382530536.db2.gz	RZFAAFBKVMITCY-AGIUHOORSA-N	-1	0	282.384	2.531	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1[O-]	ZINC000189931725	382645890	/nfs/dbraw/zinc/64/58/90/382645890.db2.gz	UAEUHHAQUYYATF-UHFFFAOYSA-N	-1	0	299.355	2.851	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000398222481	382635407	/nfs/dbraw/zinc/63/54/07/382635407.db2.gz	OJIQBAXDYQMBBL-QWHCGFSZSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000191215553	382695883	/nfs/dbraw/zinc/69/58/83/382695883.db2.gz	XUDLMEKGQGOHHD-QWHCGFSZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000192881440	382713241	/nfs/dbraw/zinc/71/32/41/382713241.db2.gz	IKOKTKDYPWLDRX-HIFRSBDPSA-N	-1	0	289.375	2.648	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)cc1	ZINC000442641308	382940410	/nfs/dbraw/zinc/94/04/10/382940410.db2.gz	AIEDZEKAJXQCPB-UHFFFAOYSA-N	-1	0	296.326	2.939	20	30		CFEDRM
CC(C)[C@H](Nc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000578503571	382927371	/nfs/dbraw/zinc/92/73/71/382927371.db2.gz	UUPFWQMUHYSSMK-AWEZNQCLSA-N	-1	0	269.304	2.628	20	30		CFEDRM
COc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1C#N	ZINC000442344660	382933591	/nfs/dbraw/zinc/93/35/91/382933591.db2.gz	DMBFNKDXWLLUCC-HYXAFXHYSA-N	-1	0	286.312	2.892	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1cccc(Br)c1[O-]	ZINC000545155180	382975557	/nfs/dbraw/zinc/97/55/57/382975557.db2.gz	GIRCBAHTGJTEMJ-MRVPVSSYSA-N	-1	0	297.152	2.577	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000541716916	382965592	/nfs/dbraw/zinc/96/55/92/382965592.db2.gz	XYANGYBONHLXNL-SECBINFHSA-N	-1	0	295.220	2.887	20	30		CFEDRM
C=CCCCNS(=O)(=O)c1ccc(F)cc1Cl	ZINC000447929536	383030299	/nfs/dbraw/zinc/03/02/99/383030299.db2.gz	INLBQGPDSLTPNL-UHFFFAOYSA-N	-1	0	277.748	2.724	20	30		CFEDRM
CCSc1n[n-]c(=NCc2ccc(C#N)s2)s1	ZINC000447948964	383033400	/nfs/dbraw/zinc/03/34/00/383033400.db2.gz	SVIXMGVIFHTOMD-UHFFFAOYSA-N	-1	0	282.419	2.617	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1ccc(F)cc1)C(=O)[O-]	ZINC000579609137	383036392	/nfs/dbraw/zinc/03/63/92/383036392.db2.gz	OKPXORAVHZDIAW-CQSZACIVSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1	ZINC000448514509	383061880	/nfs/dbraw/zinc/06/18/80/383061880.db2.gz	AQWDFRNCAWKKIP-UHFFFAOYSA-N	-1	0	273.258	2.557	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000424371708	383205009	/nfs/dbraw/zinc/20/50/09/383205009.db2.gz	GGGJLINRGYTFBJ-CQSZACIVSA-N	-1	0	288.347	2.920	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N[C@H](CC)C(=O)[O-])c1	ZINC000563831274	383168901	/nfs/dbraw/zinc/16/89/01/383168901.db2.gz	OPJOOSJVIXYHEH-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634887662	383391646	/nfs/dbraw/zinc/39/16/46/383391646.db2.gz	LNFIZHJIECMFCA-AWEZNQCLSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)[C@@H](C)COC	ZINC000634929340	383408116	/nfs/dbraw/zinc/40/81/16/383408116.db2.gz	JEDKIIJZZNKRSZ-XJKSGUPXSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C=CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)[C@H](C)COC	ZINC000634929339	383408303	/nfs/dbraw/zinc/40/83/03/383408303.db2.gz	JEDKIIJZZNKRSZ-CZUORRHYSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634931603	383409727	/nfs/dbraw/zinc/40/97/27/383409727.db2.gz	GXJZNNMMRMEKTM-XHSDSOJGSA-N	-1	0	299.370	2.955	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C(=O)[O-])CCCC1	ZINC000634932199	383410725	/nfs/dbraw/zinc/41/07/25/383410725.db2.gz	VGRXNZSGEPNIPL-BETUJISGSA-N	-1	0	277.364	2.731	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000634784555	383357002	/nfs/dbraw/zinc/35/70/02/383357002.db2.gz	RAUGIRIXFMRLBD-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(CC)CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634840698	383376780	/nfs/dbraw/zinc/37/67/80/383376780.db2.gz	SFDMXEMYWGESHO-CQSZACIVSA-N	-1	0	281.377	2.563	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000634945773	383417102	/nfs/dbraw/zinc/41/71/02/383417102.db2.gz	ZAQDDHLXRHKIIW-ZDUSSCGKSA-N	-1	0	279.380	2.979	20	30		CFEDRM
N#Cc1ccc(F)cc1-c1nc2n(c1C(=O)[O-])CCCC2	ZINC000569592019	383516055	/nfs/dbraw/zinc/51/60/55/383516055.db2.gz	QOWDKOSBTUEWTA-UHFFFAOYSA-N	-1	0	285.278	2.595	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)NCC1(C(=O)[O-])CCC1	ZINC000635518909	383576541	/nfs/dbraw/zinc/57/65/41/383576541.db2.gz	KNHZRMZNJNEOHF-UHFFFAOYSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCSc1ccccc1)C(=O)[O-]	ZINC000262971215	383647021	/nfs/dbraw/zinc/64/70/21/383647021.db2.gz	SOQVUFKSIKSXDS-CYBMUJFWSA-N	-1	0	293.388	2.704	20	30		CFEDRM
Cc1nc2ccc(C([O-])=C(C#N)c3ccncn3)cc2s1	ZINC000433198727	383756510	/nfs/dbraw/zinc/75/65/10/383756510.db2.gz	HKCIHNGNIVIZJO-LLVKDONJSA-N	-1	0	294.339	2.885	20	30		CFEDRM
Cc1c(C#N)c(NCCCC(=O)[O-])nc2ccccc12	ZINC000263399490	383662785	/nfs/dbraw/zinc/66/27/85/383662785.db2.gz	IKGCDBYZQRUKLT-UHFFFAOYSA-N	-1	0	269.304	2.692	20	30		CFEDRM
CSc1c(F)cccc1C([O-])=C(C#N)c1ccncn1	ZINC000435767726	383780583	/nfs/dbraw/zinc/78/05/83/383780583.db2.gz	KKWYQQLNYNUQOC-JTQLQIEISA-N	-1	0	287.319	2.828	20	30		CFEDRM
CNc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F	ZINC000436675919	383870707	/nfs/dbraw/zinc/87/07/07/383870707.db2.gz	NAWANOGQJOANLB-UHFFFAOYSA-N	-1	0	285.278	2.697	20	30		CFEDRM
CC(C)[C@H](C#N)NC(=O)c1ccc(Cl)c(Cl)c1[O-]	ZINC000271372498	385380115	/nfs/dbraw/zinc/38/01/15/385380115.db2.gz	ZJSXMXUKKBUADE-VIFPVBQESA-N	-1	0	287.146	2.977	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1	ZINC000262021277	533521426	/nfs/dbraw/zinc/52/14/26/533521426.db2.gz	GFJKDNMYYKHWML-ZIAGYGMSSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000263177390	131284923	/nfs/dbraw/zinc/28/49/23/131284923.db2.gz	WRWANXTZWCMBOH-RISCZKNCSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)CCCCC(=O)[O-]	ZINC000263326308	131290282	/nfs/dbraw/zinc/29/02/82/131290282.db2.gz	STJAHIYKKZVKFH-UHFFFAOYSA-N	-1	0	289.375	2.889	20	30		CFEDRM
C=CCN(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000263532089	131296677	/nfs/dbraw/zinc/29/66/77/131296677.db2.gz	MYPUJKLAEUIPDX-JTQLQIEISA-N	-1	0	279.361	2.510	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2coc(C3CCC3)n2)nc(C)n1	ZINC000683689848	542710299	/nfs/dbraw/zinc/71/02/99/542710299.db2.gz	QIPVEDSALQEARA-GFCCVEGCSA-N	-1	0	296.330	2.839	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1c([O-])cc(F)cc1F	ZINC000683883843	542736425	/nfs/dbraw/zinc/73/64/25/542736425.db2.gz	LSESHLVCFACJDX-SNVBAGLBSA-N	-1	0	267.275	2.851	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185177911	393531472	/nfs/dbraw/zinc/53/14/72/393531472.db2.gz	HQYAZMLFDTUZHY-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H](C)C1	ZINC000189006808	393569936	/nfs/dbraw/zinc/56/99/36/393569936.db2.gz	YBHJVOSJKOSOHG-NEPJUHHUSA-N	-1	0	272.348	2.772	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[n-]1	ZINC000410539951	393629532	/nfs/dbraw/zinc/62/95/32/393629532.db2.gz	LBUODHOHARCRKG-FRRDWIJNSA-N	-1	0	288.395	2.768	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000192858989	393633857	/nfs/dbraw/zinc/63/38/57/393633857.db2.gz	UWCBGWHSLCPPCW-DOMZBBRYSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=CCN=c1[n-]nc(SC2CC(OC(C)C)C2)s1	ZINC000412975602	393776953	/nfs/dbraw/zinc/77/69/53/393776953.db2.gz	GCTBDYWRPZJGRU-UHFFFAOYSA-N	-1	0	285.438	2.606	20	30		CFEDRM
C=CC[C@H](Cc1ccccc1)N=c1nc(COC)[n-]s1	ZINC000413581658	393785397	/nfs/dbraw/zinc/78/53/97/393785397.db2.gz	QSGRKQLVSICWGN-CYBMUJFWSA-N	-1	0	289.404	2.706	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OCC1CC1	ZINC000416947600	393947246	/nfs/dbraw/zinc/94/72/46/393947246.db2.gz	GZROOCOQXFCEDK-GFCCVEGCSA-N	-1	0	294.376	2.519	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cc2ccccc2o1	ZINC000121675464	393958158	/nfs/dbraw/zinc/95/81/58/393958158.db2.gz	XKSMTESPAZGLNK-LBPRGKRZSA-N	-1	0	292.360	2.649	20	30		CFEDRM
Cn1cc(CNc2ccccc2CCCC(=O)[O-])cc1C#N	ZINC000417626350	393985935	/nfs/dbraw/zinc/98/59/35/393985935.db2.gz	RFILBTQVGMEADO-UHFFFAOYSA-N	-1	0	297.358	2.916	20	30		CFEDRM
CC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000126323082	394025393	/nfs/dbraw/zinc/02/53/93/394025393.db2.gz	QOFFEXIHLRWZMN-GXFFZTMASA-N	-1	0	296.367	2.554	20	30		CFEDRM
C=CCn1c(=O)[nH]nc1SC[C@@H]1CCc2ccccc21	ZINC000355449329	394066243	/nfs/dbraw/zinc/06/62/43/394066243.db2.gz	PACNKKIFFVWJBB-LBPRGKRZSA-N	-1	0	287.388	2.992	20	30		CFEDRM
CC(C)(C)CC[C@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000449139634	394226528	/nfs/dbraw/zinc/22/65/28/394226528.db2.gz	AOAZLMRZXNQRQJ-ZDUSSCGKSA-N	-1	0	288.347	2.568	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)c1ncccc1O	ZINC000153683786	394288925	/nfs/dbraw/zinc/28/89/25/394288925.db2.gz	HZYOKTYBYDGGIK-UHFFFAOYSA-N	-1	0	282.343	2.658	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C2CC2)n1	ZINC000685782913	542944013	/nfs/dbraw/zinc/94/40/13/542944013.db2.gz	MSUVRUFPDKIJEH-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C(C)(C)C(=O)[O-])c1	ZINC000649243003	395459647	/nfs/dbraw/zinc/45/96/47/395459647.db2.gz	NVQGPZPLOOTMPS-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCC12CCC(CC1)C2	ZINC000649460675	395502170	/nfs/dbraw/zinc/50/21/70/395502170.db2.gz	LMEOIWQCZRRRML-UHFFFAOYSA-N	-1	0	264.398	2.549	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(F)cc1	ZINC000356211874	155184137	/nfs/dbraw/zinc/18/41/37/155184137.db2.gz	GZMNKNQFAQFCPX-CLTKARDFSA-N	-1	0	268.247	2.961	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cn1	ZINC000345630888	154224069	/nfs/dbraw/zinc/22/40/69/154224069.db2.gz	LLCQYSYIPAVRSQ-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccn1	ZINC000345613368	162264144	/nfs/dbraw/zinc/26/41/44/162264144.db2.gz	AHMVOBTZQXFGJX-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000007056891	170265000	/nfs/dbraw/zinc/26/50/00/170265000.db2.gz	NUTBRXLODTYDAB-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000654810416	414002956	/nfs/dbraw/zinc/00/29/56/414002956.db2.gz	OLDVFZMAPQZCRP-GXFFZTMASA-N	-1	0	294.326	2.605	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000654802428	414003177	/nfs/dbraw/zinc/00/31/77/414003177.db2.gz	MEMJPGTYCODWMZ-STQMWFEESA-N	-1	0	284.400	2.872	20	30		CFEDRM
C=CCCCCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665315311	414278548	/nfs/dbraw/zinc/27/85/48/414278548.db2.gz	ZWTGARBTVIEHAN-ZDUSSCGKSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C(=O)[O-]	ZINC000659154444	414457384	/nfs/dbraw/zinc/45/73/84/414457384.db2.gz	QGHQUQNKNMFZHO-DOMZBBRYSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000659166110	414459837	/nfs/dbraw/zinc/45/98/37/414459837.db2.gz	IDNDYBYBNWICEI-YPMHNXCESA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659227840	414474243	/nfs/dbraw/zinc/47/42/43/414474243.db2.gz	FFNNBLAKNCGHPT-SYQHCUMBSA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000659244171	414476943	/nfs/dbraw/zinc/47/69/43/414476943.db2.gz	TWQYGVZHVHABBN-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1	ZINC000659409569	414517212	/nfs/dbraw/zinc/51/72/12/414517212.db2.gz	QCZHVROQSZVFNR-ZIAGYGMSSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000663075368	414650634	/nfs/dbraw/zinc/65/06/34/414650634.db2.gz	VSGUNYKPICEBSE-LBPRGKRZSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=CCCCN(C)C(=O)C1(C(=O)[O-])CCCCCC1	ZINC000663084601	414651297	/nfs/dbraw/zinc/65/12/97/414651297.db2.gz	XSDRIWVTBSANHJ-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1	ZINC001243153268	782021806	/nfs/dbraw/zinc/02/18/06/782021806.db2.gz	LWUKFUWTFFGZQZ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1ncncc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243157251	782022419	/nfs/dbraw/zinc/02/24/19/782022419.db2.gz	GLVFBSMAZXGXIP-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(O)c(Cl)c1	ZINC000334650626	225255434	/nfs/dbraw/zinc/25/54/34/225255434.db2.gz	GBCVVOYTZRTSMF-KRTXAFLBSA-N	-1	0	250.685	2.534	20	30		CFEDRM
COc1cc(-c2cc(CC#N)ccn2)ccc1C(=O)[O-]	ZINC001240742254	782025013	/nfs/dbraw/zinc/02/50/13/782025013.db2.gz	FNEORUAQCKUZIQ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000073288804	260164913	/nfs/dbraw/zinc/16/49/13/260164913.db2.gz	COKJGOYXECOYRP-JTQLQIEISA-N	-1	0	261.387	2.898	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC2)cc1Cl	ZINC000080298816	260179654	/nfs/dbraw/zinc/17/96/54/260179654.db2.gz	CRABDPBESLMWNO-UHFFFAOYSA-N	-1	0	273.741	2.704	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCO[C@H](C3CC3)C2)c1	ZINC000154226217	261089264	/nfs/dbraw/zinc/08/92/64/261089264.db2.gz	MIPHKXQJBXYBFN-UEXZMILTSA-N	-1	0	290.319	2.677	20	30		CFEDRM
N#C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CCCCC1	ZINC000180121759	261841477	/nfs/dbraw/zinc/84/14/77/261841477.db2.gz	ZMJKMTXPGCHUKR-ZDUSSCGKSA-N	-1	0	294.301	2.873	20	30		CFEDRM
C#CCC(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000364066480	262133748	/nfs/dbraw/zinc/13/37/48/262133748.db2.gz	MWBXJLFXJQXBSZ-UHFFFAOYSA-N	-1	0	291.401	2.677	20	30		CFEDRM
CSC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000193256961	262219144	/nfs/dbraw/zinc/21/91/44/262219144.db2.gz	LMNJBSBESQIXGT-NTUHNPAUSA-N	-1	0	266.322	2.615	20	30		CFEDRM
CC1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C#N	ZINC000339128072	262601173	/nfs/dbraw/zinc/60/11/73/262601173.db2.gz	OWQKQQHBCZBSED-CQSZACIVSA-N	-1	0	289.335	2.815	20	30		CFEDRM
C=C(CC)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000452047727	263032854	/nfs/dbraw/zinc/03/28/54/263032854.db2.gz	ZLWLYZLRRGQTLC-UHFFFAOYSA-N	-1	0	295.738	2.863	20	30		CFEDRM
N#C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)C1CCCCC1	ZINC000283482758	263082979	/nfs/dbraw/zinc/08/29/79/263082979.db2.gz	QBGVAUCLLJPBLC-QMMMGPOBSA-N	-1	0	299.783	2.704	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000293697925	263147486	/nfs/dbraw/zinc/14/74/86/263147486.db2.gz	SWGBAZOOXZUHAJ-UHFFFAOYSA-N	-1	0	281.718	2.814	20	30		CFEDRM
CC(C)(C)c1nc(=NC(=O)NC[C@@H]2CC=CCC2)s[n-]1	ZINC000330836551	264051417	/nfs/dbraw/zinc/05/14/17/264051417.db2.gz	WLNHBMZTTTVJFJ-SNVBAGLBSA-N	-1	0	294.424	2.940	20	30		CFEDRM
Cc1cnc(C(=O)Nc2cnn(C(C)(C)C)c2)c([O-])c1	ZINC000330863870	264057411	/nfs/dbraw/zinc/05/74/11/264057411.db2.gz	AZLAUCHIGUWJRP-UHFFFAOYSA-N	-1	0	274.324	2.683	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)c(C)nc2C)n1	ZINC000331200381	264160299	/nfs/dbraw/zinc/16/02/99/264160299.db2.gz	WLAMCUWOYPRYNE-NSHDSACASA-N	-1	0	286.360	2.657	20	30		CFEDRM
CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@H](C)O	ZINC000331359973	264208936	/nfs/dbraw/zinc/20/89/36/264208936.db2.gz	XFEVUHRHFJPEIL-WKEGUHRASA-N	-1	0	275.707	2.649	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1C	ZINC000080456495	264395841	/nfs/dbraw/zinc/39/58/41/264395841.db2.gz	NHKQXIYXNQTUTG-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C)CCC(=O)[O-])c1ccccc1	ZINC000191148926	264479419	/nfs/dbraw/zinc/47/94/19/264479419.db2.gz	WPTOFHYARPQNBR-QWHCGFSZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000519708251	265561773	/nfs/dbraw/zinc/56/17/73/265561773.db2.gz	UIBHOXGXNRFABI-SRVKXCTJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000019867296	267257175	/nfs/dbraw/zinc/25/71/75/267257175.db2.gz	RNNCLODPBYLWRW-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cncc(F)c2C#N)c1	ZINC001243179638	782040773	/nfs/dbraw/zinc/04/07/73/782040773.db2.gz	ZLTAEVZFJNWJIQ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CC[C@H]1N(C(=O)N=c2[n-]ncs2)CCCC1(C)C	ZINC000335443629	277890419	/nfs/dbraw/zinc/89/04/19/277890419.db2.gz	WWMLJLNAKSPMAU-SNVBAGLBSA-N	-1	0	280.397	2.559	20	30		CFEDRM
C[C@H](Oc1cccc(/C=C\c2ccc(C#N)cn2)c1)C(=O)[O-]	ZINC000255320911	281093467	/nfs/dbraw/zinc/09/34/67/281093467.db2.gz	UZMVGOUOOXYNEB-HWPRWLFBSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CC(C)(C)c1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000567626359	290479304	/nfs/dbraw/zinc/47/93/04/290479304.db2.gz	KSDZZLXEGFUDRO-UHFFFAOYSA-N	-1	0	293.330	2.703	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3ccccc32)C1	ZINC000263166969	297216433	/nfs/dbraw/zinc/21/64/33/297216433.db2.gz	IZKRJHMZYWUFBF-VXGBXAGGSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(Cl)ccc2C#N)C1	ZINC000263137755	297343929	/nfs/dbraw/zinc/34/39/29/297343929.db2.gz	GLSHPQDVBMUKND-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC(C(=O)[O-])CC1	ZINC000062784905	303191859	/nfs/dbraw/zinc/19/18/59/303191859.db2.gz	BPCFRQTWEGEZJI-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(-c2ccc(CC#N)cn2)ccc1C(=O)[O-]	ZINC001243211339	782072001	/nfs/dbraw/zinc/07/20/01/782072001.db2.gz	PIIZFUPZODQSQT-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(-c2cnccc2CC#N)ccc1C(=O)[O-]	ZINC001243215766	782076709	/nfs/dbraw/zinc/07/67/09/782076709.db2.gz	VVYYGLIGVDWESY-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1	ZINC000339232101	328003001	/nfs/dbraw/zinc/00/30/01/328003001.db2.gz	KIPYXFDOJKIRSS-UHFFFAOYSA-N	-1	0	293.735	2.820	20	30		CFEDRM
C=CCCC[C@H](C)N=c1[n-]c(C2CCOCC2)no1	ZINC000413234047	328142996	/nfs/dbraw/zinc/14/29/96/328142996.db2.gz	VVYPZYLMXUZKGE-NSHDSACASA-N	-1	0	265.357	2.542	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000161625739	322355008	/nfs/dbraw/zinc/35/50/08/322355008.db2.gz	GWTBNRDFXAPHLJ-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
CC[C@@H](Nc1ccc(C#N)cc1Br)C(=O)[O-]	ZINC000168284896	322389157	/nfs/dbraw/zinc/38/91/57/322389157.db2.gz	SKOMEYQLCMSQLH-SECBINFHSA-N	-1	0	283.125	2.596	20	30		CFEDRM
CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1	ZINC000188345473	324013663	/nfs/dbraw/zinc/01/36/63/324013663.db2.gz	DLKMMZGENUABHA-UHFFFAOYSA-N	-1	0	270.263	2.680	20	30		CFEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2)cc1C#N	ZINC000577853856	324787855	/nfs/dbraw/zinc/78/78/55/324787855.db2.gz	XHPAEEZIPMSMCP-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N[C@@H](CC)C(=O)[O-])c1	ZINC000563831275	328522526	/nfs/dbraw/zinc/52/25/26/328522526.db2.gz	OPJOOSJVIXYHEH-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000398221824	326875313	/nfs/dbraw/zinc/87/53/13/326875313.db2.gz	OEMCCJQGGDAKCQ-LLVKDONJSA-N	-1	0	270.373	2.531	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000261700392	327001572	/nfs/dbraw/zinc/00/15/72/327001572.db2.gz	OGISVCJBVIQZTA-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263283572	327007065	/nfs/dbraw/zinc/00/70/65/327007065.db2.gz	UDWWYJSNOYDVPM-PNESKVBLSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000263551906	327079830	/nfs/dbraw/zinc/07/98/30/327079830.db2.gz	WWIABFWNPSWVOX-LLVKDONJSA-N	-1	0	261.321	2.859	20	30		CFEDRM
N#CCc1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1	ZINC000569600049	327208904	/nfs/dbraw/zinc/20/89/04/327208904.db2.gz	QJNZOTDWGKNYOL-UHFFFAOYSA-N	-1	0	298.293	2.657	20	30		CFEDRM
COC(=O)[C@@H](C)C/N=C/c1c(O)ccc2ccccc21	ZINC000101799833	327222738	/nfs/dbraw/zinc/22/27/38/327222738.db2.gz	DVQRPIYTJMYEAV-MUOOZZNISA-N	-1	0	271.316	2.773	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000562648522	327502472	/nfs/dbraw/zinc/50/24/72/327502472.db2.gz	RBVVXRJSVRMNJD-MNOVXSKESA-N	-1	0	282.365	2.528	20	30		CFEDRM
C[C@@](CC(=O)[O-])(C(=O)NCCCCC#N)C1CCCCC1	ZINC000507457126	332806551	/nfs/dbraw/zinc/80/65/51/332806551.db2.gz	BIQYLZTZFWIBBD-INIZCTEOSA-N	-1	0	294.395	2.858	20	30		CFEDRM
C=CCn1c(SCCc2ccc(CC)cc2)n[n-]c1=N	ZINC000527356430	328665892	/nfs/dbraw/zinc/66/58/92/328665892.db2.gz	VUTGVYOCVVTQGH-UHFFFAOYSA-N	-1	0	288.420	2.774	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(C)o1	ZINC000042343478	328768381	/nfs/dbraw/zinc/76/83/81/328768381.db2.gz	NKPOJHVNICZERB-BQYQJAHWSA-N	-1	0	271.338	2.688	20	30		CFEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000180359149	329215411	/nfs/dbraw/zinc/21/54/11/329215411.db2.gz	QALXWZOEQQPVDI-GFCCVEGCSA-N	-1	0	271.345	2.899	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000583123340	329320274	/nfs/dbraw/zinc/32/02/74/329320274.db2.gz	YFJCWYBIPLYTFN-QMMMGPOBSA-N	-1	0	270.691	2.607	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1	ZINC000190918179	329402934	/nfs/dbraw/zinc/40/29/34/329402934.db2.gz	SZFKYOGTDLFBHN-SNVBAGLBSA-N	-1	0	294.339	2.885	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)o1	ZINC000190988883	329404352	/nfs/dbraw/zinc/40/43/52/329404352.db2.gz	HXYXFGZYFCPLSC-LLVKDONJSA-N	-1	0	292.298	2.725	20	30		CFEDRM
COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000193276200	329439536	/nfs/dbraw/zinc/43/95/36/329439536.db2.gz	BORXRZVWDUQIQI-NSHDSACASA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1	ZINC000238199337	329695651	/nfs/dbraw/zinc/69/56/51/329695651.db2.gz	ZGJIKSCWIMXCRJ-UHFFFAOYSA-N	-1	0	298.342	2.717	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000262811770	330033144	/nfs/dbraw/zinc/03/31/44/330033144.db2.gz	DMMOFAUOVYCOKW-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000262811772	330033296	/nfs/dbraw/zinc/03/32/96/330033296.db2.gz	DMMOFAUOVYCOKW-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(=O)[O-]	ZINC000262838652	330035049	/nfs/dbraw/zinc/03/50/49/330035049.db2.gz	GQZQQAQOGKECDV-MGPQQGTHSA-N	-1	0	281.396	2.984	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000262927270	330037162	/nfs/dbraw/zinc/03/71/62/330037162.db2.gz	ONJNHCZAGYPTIS-CQSZACIVSA-N	-1	0	287.359	2.545	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262982511	330037955	/nfs/dbraw/zinc/03/79/55/330037955.db2.gz	UNGVMRYNEGVQSY-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C=C)c1ccccc1)C(=O)[O-]	ZINC000263042289	330040376	/nfs/dbraw/zinc/04/03/76/330040376.db2.gz	ZSVAHFWCOVSHJT-DZGCQCFKSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000263204469	330049037	/nfs/dbraw/zinc/04/90/37/330049037.db2.gz	VPRZQJMSDOGLHS-NEPJUHHUSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C#CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)C1CCCC1	ZINC000263360600	330052920	/nfs/dbraw/zinc/05/29/20/330052920.db2.gz	YGVIQQKGADJKCN-UHFFFAOYSA-N	-1	0	285.343	2.711	20	30		CFEDRM
N#CC1CCC(CNc2cccc(C(=O)[O-])n2)CC1	ZINC000263416611	330054818	/nfs/dbraw/zinc/05/48/18/330054818.db2.gz	OALIRWIXYQHQHV-UHFFFAOYSA-N	-1	0	259.309	2.522	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2cnccc2C)s1	ZINC000433395778	330627630	/nfs/dbraw/zinc/62/76/30/330627630.db2.gz	BIEWMZZKEOFWLO-UHFFFAOYSA-N	-1	0	278.406	2.554	20	30		CFEDRM
C=CCC[C@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)[O-]	ZINC000448991621	330890429	/nfs/dbraw/zinc/89/04/29/330890429.db2.gz	JLWFWHIRAGRLMZ-DYLGSBMWSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc3ccccn3[n-]2)CCCCC1	ZINC000450302862	330971697	/nfs/dbraw/zinc/97/16/97/330971697.db2.gz	YMTVJWBIVFCFRU-UHFFFAOYSA-N	-1	0	284.363	2.616	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(CCC)[n-]s2)CCCC1	ZINC000451443069	331029785	/nfs/dbraw/zinc/02/97/85/331029785.db2.gz	BVBMSTNZSQPTAJ-UHFFFAOYSA-N	-1	0	279.409	2.988	20	30		CFEDRM
C=C(CC)CNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000453010906	331083424	/nfs/dbraw/zinc/08/34/24/331083424.db2.gz	HVOBMVRMDCSGDK-UHFFFAOYSA-N	-1	0	259.227	2.506	20	30		CFEDRM
Cc1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000453582613	331134885	/nfs/dbraw/zinc/13/48/85/331134885.db2.gz	NWZVEIPGBDDETN-NSHDSACASA-N	-1	0	271.345	2.953	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N=c1ncn(C2CCCCC2)[n-]1	ZINC000454304735	331143850	/nfs/dbraw/zinc/14/38/50/331143850.db2.gz	RXRUSPBSSQGVLS-UHFFFAOYSA-N	-1	0	291.399	2.539	20	30		CFEDRM
C=CCC1(NC(=O)N=c2nc3ccccn3[n-]2)CCCCC1	ZINC000455100784	331160736	/nfs/dbraw/zinc/16/07/36/331160736.db2.gz	JXQLQVDKACRLKN-UHFFFAOYSA-N	-1	0	299.378	2.552	20	30		CFEDRM
C=CC(C)(C)CNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000456116604	331184548	/nfs/dbraw/zinc/18/45/48/331184548.db2.gz	NBXDLHZECCWIPI-UHFFFAOYSA-N	-1	0	273.254	2.752	20	30		CFEDRM
C#C[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(F)cc1	ZINC000491629361	332252326	/nfs/dbraw/zinc/25/23/26/332252326.db2.gz	OFWRDJXALFPSSZ-BXKDBHETSA-N	-1	0	291.351	2.593	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1cccc(Br)c1[O-]	ZINC000522665819	333295647	/nfs/dbraw/zinc/29/56/47/333295647.db2.gz	XDGIWGDXCZUBLF-QMMMGPOBSA-N	-1	0	284.153	2.849	20	30		CFEDRM
C=CCCCCCNC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-]	ZINC000565157989	334541435	/nfs/dbraw/zinc/54/14/35/334541435.db2.gz	PRBOWGNBEPHKCO-CHWSQXEVSA-N	-1	0	282.384	2.628	20	30		CFEDRM
N#CCC1(CN=c2nc(C3CCCC3)[n-]s2)CC1	ZINC000568379216	334820593	/nfs/dbraw/zinc/82/05/93/334820593.db2.gz	QVFUGZBFNNBQTC-UHFFFAOYSA-N	-1	0	262.382	2.723	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322659	782137856	/nfs/dbraw/zinc/13/78/56/782137856.db2.gz	KJFAAFNWAMGJBP-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
COc1ccnc(-c2ccc([O-])c(F)c2F)c1C#N	ZINC001243339672	782144293	/nfs/dbraw/zinc/14/42/93/782144293.db2.gz	SAUJHEVSMUAZEW-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
CC(C)(CCNc1cccc(F)c1C#N)C(=O)[O-]	ZINC000310693958	519218722	/nfs/dbraw/zinc/21/87/22/519218722.db2.gz	SXSCCYCDRDSCSX-UHFFFAOYSA-N	-1	0	250.273	2.610	20	30		CFEDRM
CCCC[C@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000300267471	521244059	/nfs/dbraw/zinc/24/40/59/521244059.db2.gz	WRQBHEVILNNKKU-VIFPVBQESA-N	-1	0	267.716	2.662	20	30		CFEDRM
CCC(CC)(CNC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000168000988	521435304	/nfs/dbraw/zinc/43/53/04/521435304.db2.gz	ZCBQRFOHRNOFIT-UHFFFAOYSA-N	-1	0	289.335	2.571	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000237644886	534619813	/nfs/dbraw/zinc/61/98/13/534619813.db2.gz	DJYJUNMUQXOWLY-ZDUSSCGKSA-N	-1	0	261.321	2.593	20	30		CFEDRM
C=CCCC(=O)N[C@@](C)(CCCCCC)C(=O)[O-]	ZINC000236720295	534624733	/nfs/dbraw/zinc/62/47/33/534624733.db2.gz	IBZPIYAKRJZBCK-AWEZNQCLSA-N	-1	0	255.358	2.883	20	30		CFEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000262971649	534624937	/nfs/dbraw/zinc/62/49/37/534624937.db2.gz	IUBVLDWXDKSXBD-AWEZNQCLSA-N	-1	0	261.321	2.512	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])C(C)C)c1ccccc1	ZINC000262819028	534672413	/nfs/dbraw/zinc/67/24/13/534672413.db2.gz	VQCTZEXUGWAEJB-CYBMUJFWSA-N	-1	0	275.348	2.668	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NC[C@H](CC(C)C)C(=O)[O-])n1	ZINC000094703493	524215210	/nfs/dbraw/zinc/21/52/10/524215210.db2.gz	FRWXZTKVFHJBPI-LBPRGKRZSA-N	-1	0	275.352	2.729	20	30		CFEDRM
C[C@H](CNc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000054334860	524506150	/nfs/dbraw/zinc/50/61/50/524506150.db2.gz	DFROCYJJAJVZLS-SSDOTTSWSA-N	-1	0	272.226	2.710	20	30		CFEDRM
N#Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccn1	ZINC000193691421	526546216	/nfs/dbraw/zinc/54/62/16/526546216.db2.gz	VGLRPRXLTPFHDL-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
N#Cc1cc(NCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000316605493	526572614	/nfs/dbraw/zinc/57/26/14/526572614.db2.gz	NMVVKBSSBWYLNK-UHFFFAOYSA-N	-1	0	297.270	2.777	20	30		CFEDRM
CCc1cnc(/C=C/c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000342219762	536019762	/nfs/dbraw/zinc/01/97/62/536019762.db2.gz	JXVOFZZZLXSZOG-AATRIKPKSA-N	-1	0	285.328	2.841	20	30		CFEDRM
Cc1ccccc1[C@@H](CC(=O)[O-])[NH2+]Cc1cc(C#N)n(C)c1	ZINC000417571471	568586138	/nfs/dbraw/zinc/58/61/38/568586138.db2.gz	NYUZQNDFBWPVTM-MRXNPFEDSA-N	-1	0	297.358	2.511	20	30		CFEDRM
CC(C)CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736427315	574051547	/nfs/dbraw/zinc/05/15/47/574051547.db2.gz	CYSUMHUCAZJJCF-CQSZACIVSA-N	-1	0	275.304	2.663	20	30		CFEDRM
C=CC[C@H](C)NC(=O)NCC1(NC(=O)[O-])CCCCCC1	ZINC000738488333	574091065	/nfs/dbraw/zinc/09/10/65/574091065.db2.gz	JIUIAKXSBDYYRL-LBPRGKRZSA-N	-1	0	297.399	2.611	20	30		CFEDRM
N#Cc1ccc(SCC(=O)[N-]OCc2ccccc2)cc1	ZINC000728513529	574098657	/nfs/dbraw/zinc/09/86/57/574098657.db2.gz	OSFVUJUHQMRTHH-UHFFFAOYSA-N	-1	0	298.367	2.898	20	30		CFEDRM
COc1cccc(O)c1/C=N\C[C@H](CC(C)C)C(=O)[O-]	ZINC000738105588	574108520	/nfs/dbraw/zinc/10/85/20/574108520.db2.gz	DTBRJDUEPLNGNB-RCEBRVLHSA-N	-1	0	279.336	2.567	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)c1ccc(F)cc1O	ZINC000731321050	574116699	/nfs/dbraw/zinc/11/66/99/574116699.db2.gz	CFAGYOINWIXISK-UHFFFAOYSA-N	-1	0	263.247	2.902	20	30		CFEDRM
CCCCCCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC000755213257	574146721	/nfs/dbraw/zinc/14/67/21/574146721.db2.gz	BUGFUNYVDFMBSB-UHFFFAOYSA-N	-1	0	253.346	2.514	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NOCc1cccnc1	ZINC000746588182	574156824	/nfs/dbraw/zinc/15/68/24/574156824.db2.gz	LAOJIYWMZVRKRF-UHFFFAOYSA-N	-1	0	262.696	2.991	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)ccc2O)cc1	ZINC000755454690	574163080	/nfs/dbraw/zinc/16/30/80/574163080.db2.gz	IIAUUUJOZDQBRC-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
Cc1nn(C)cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755467599	574163699	/nfs/dbraw/zinc/16/36/99/574163699.db2.gz	QTBMPSICAAQRNP-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2o1	ZINC000732708029	574166352	/nfs/dbraw/zinc/16/63/52/574166352.db2.gz	JSKUSKYTOUYEGH-GFUIURDCSA-N	-1	0	296.326	2.987	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1	ZINC000738430323	574168332	/nfs/dbraw/zinc/16/83/32/574168332.db2.gz	IKQWFRFQXWSMOR-UHFFFAOYSA-N	-1	0	282.255	2.867	20	30		CFEDRM
C=CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C(C)C	ZINC000738489213	574170956	/nfs/dbraw/zinc/17/09/56/574170956.db2.gz	ACERPQDLERLFPO-UHFFFAOYSA-N	-1	0	280.299	2.952	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738489133	574171095	/nfs/dbraw/zinc/17/10/95/574171095.db2.gz	QWHPTBNLDGOAIS-JTQLQIEISA-N	-1	0	289.335	2.813	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738494584	574171405	/nfs/dbraw/zinc/17/14/05/574171405.db2.gz	SQPULFQKSWBDJD-UHFFFAOYSA-N	-1	0	295.726	2.601	20	30		CFEDRM
C=CCOC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738492054	574171534	/nfs/dbraw/zinc/17/15/34/574171534.db2.gz	RSYVHXKTSUPDEB-GFCCVEGCSA-N	-1	0	263.293	2.505	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1	ZINC000738489825	574171674	/nfs/dbraw/zinc/17/16/74/574171674.db2.gz	ZUBWXAVQWCYYIL-UHFFFAOYSA-N	-1	0	290.319	2.520	20	30		CFEDRM
Cc1cccc(C[C@H](CNc2ncccc2C#N)C(=O)[O-])c1	ZINC000738707215	574181654	/nfs/dbraw/zinc/18/16/54/574181654.db2.gz	GSRWNKRKKLAPKZ-OAHLLOKOSA-N	-1	0	295.342	2.617	20	30		CFEDRM
CC(C)[C@@H](C/N=C/c1cc(Cl)ccc1O)NC(=O)[O-]	ZINC000738773221	574183915	/nfs/dbraw/zinc/18/39/15/574183915.db2.gz	IURCUSZFSLOHKB-OGEWLBHXSA-N	-1	0	284.743	2.757	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738838729	574187163	/nfs/dbraw/zinc/18/71/63/574187163.db2.gz	QSAMOKLFJUGGMK-UHFFFAOYSA-N	-1	0	293.298	2.680	20	30		CFEDRM
C[C@H](CC#N)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738892330	574189502	/nfs/dbraw/zinc/18/95/02/574189502.db2.gz	GLSNTZAWONDKNH-SSDOTTSWSA-N	-1	0	282.683	2.889	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1CN(CC#N)C1CCCC1	ZINC000738956565	574191095	/nfs/dbraw/zinc/19/10/95/574191095.db2.gz	BTFZTGINJNLEHU-UHFFFAOYSA-N	-1	0	262.309	2.554	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000739073008	574196851	/nfs/dbraw/zinc/19/68/51/574196851.db2.gz	OLQCIVJGLQWSSM-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000739074930	574196924	/nfs/dbraw/zinc/19/69/24/574196924.db2.gz	NNTSQYONGIGOSH-CQSZACIVSA-N	-1	0	298.273	2.519	20	30		CFEDRM
N#CCOc1cccc(/C=C\c2ccc(C(=O)[O-])cn2)c1	ZINC000739089136	574197372	/nfs/dbraw/zinc/19/73/72/574197372.db2.gz	YVGKKRQCCCKAKM-XQRVVYSFSA-N	-1	0	280.283	2.853	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC000739090949	574197658	/nfs/dbraw/zinc/19/76/58/574197658.db2.gz	BBIAISOGSOMODK-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
N#Cc1cc(F)ccc1COC(=O)c1cccc(C(=O)[O-])c1	ZINC000739098394	574198356	/nfs/dbraw/zinc/19/83/56/574198356.db2.gz	DUOCNBKUZXLAHW-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2ccccc2F)C(=O)[O-])cc1	ZINC000739116006	574199200	/nfs/dbraw/zinc/19/92/00/574199200.db2.gz	XBULBVXMVINQJR-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccon2)c1[O-]	ZINC000747864229	574215965	/nfs/dbraw/zinc/21/59/65/574215965.db2.gz	LRVKFNHWQQUGPY-ACAGNQJTSA-N	-1	0	281.655	2.561	20	30		CFEDRM
CN(C(=O)[O-])C1CCN(c2ccc(Cl)cc2C#N)CC1	ZINC000739593926	574220198	/nfs/dbraw/zinc/22/01/98/574220198.db2.gz	RCZIAXQKHPNAKS-UHFFFAOYSA-N	-1	0	293.754	2.790	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cnn3ccccc23)s1	ZINC000729644176	574225493	/nfs/dbraw/zinc/22/54/93/574225493.db2.gz	RCGXMOVUHYZKMF-PLNGDYQASA-N	-1	0	298.323	2.990	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1	ZINC000739924397	574229797	/nfs/dbraw/zinc/22/97/97/574229797.db2.gz	HDONPTGQNDONKP-LFMVTYOGSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNCc2cccc(F)c2)cc1[O-]	ZINC000748132960	574231019	/nfs/dbraw/zinc/23/10/19/574231019.db2.gz	IIWTXLAWANZYAO-UHFFFAOYSA-N	-1	0	289.266	2.563	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=Nn2cnc3ccccc32)cc1[O-]	ZINC000748133503	574231181	/nfs/dbraw/zinc/23/11/81/574231181.db2.gz	MRJADMHFFBRMBC-UHFFFAOYSA-N	-1	0	282.259	2.532	20	30		CFEDRM
CON=Cc1ccc(OCc2cc(C)c(C(=O)[O-])o2)cc1	ZINC000729932675	574238514	/nfs/dbraw/zinc/23/85/14/574238514.db2.gz	OHNDECWZZSAJQT-UHFFFAOYSA-N	-1	0	289.287	2.846	20	30		CFEDRM
N#Cc1ccc(N2CCC(CNC(=O)[O-])CC2)cc1Cl	ZINC000740315737	574246803	/nfs/dbraw/zinc/24/68/03/574246803.db2.gz	OVLMCWCHIYDNIG-UHFFFAOYSA-N	-1	0	293.754	2.696	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1ccccc1NC(=O)[O-]	ZINC000740322274	574247232	/nfs/dbraw/zinc/24/72/32/574247232.db2.gz	ULJNCMJQWSYCHX-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
N#Cc1ccc(NCCN(C(=O)[O-])C2CC2)cc1Cl	ZINC000740319565	574247323	/nfs/dbraw/zinc/24/73/23/574247323.db2.gz	VOFLWKDXOHRUAP-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)COC3)c1	ZINC000748412187	574251372	/nfs/dbraw/zinc/25/13/72/574251372.db2.gz	LPCNJPUJJUJCHY-UHFFFAOYSA-N	-1	0	280.283	2.546	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCc2ccc(F)c(F)c2)CC1	ZINC000740551818	574255323	/nfs/dbraw/zinc/25/53/23/574255323.db2.gz	WIZZCKQNNAOFIR-UHFFFAOYSA-N	-1	0	297.305	2.621	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)ccc1O	ZINC000740619731	574258637	/nfs/dbraw/zinc/25/86/37/574258637.db2.gz	IBPOJMSGIBTXPY-UBEBPUOUSA-N	-1	0	296.754	2.901	20	30		CFEDRM
COCCON=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000748789865	574265173	/nfs/dbraw/zinc/26/51/73/574265173.db2.gz	OTRHYUGZQCVHSD-UHFFFAOYSA-N	-1	0	264.108	2.696	20	30		CFEDRM
COCCC(N=Nc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000756815157	574265272	/nfs/dbraw/zinc/26/52/72/574265272.db2.gz	HIBYYGYLCNRPBA-UHFFFAOYSA-N	-1	0	264.325	2.845	20	30		CFEDRM
Cc1nnc(N=NC(C)CCC2CCCC2)[n-]c1=O	ZINC000740761407	574265928	/nfs/dbraw/zinc/26/59/28/574265928.db2.gz	QRXIGFURPMXBIU-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2ccncc2Cl)cc1F	ZINC000756842356	574266676	/nfs/dbraw/zinc/26/66/76/574266676.db2.gz	NTIHLZVFDJGVGP-UHFFFAOYSA-N	-1	0	283.665	2.587	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cnc3ccccn23)s1	ZINC000740764828	574266713	/nfs/dbraw/zinc/26/67/13/574266713.db2.gz	HMNHOTVUJCSHFX-SNAWJCMRSA-N	-1	0	298.323	2.990	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000756845802	574268244	/nfs/dbraw/zinc/26/82/44/574268244.db2.gz	GVGIGGBITOZANV-OWCLPIDISA-N	-1	0	297.354	2.534	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1nccs1	ZINC000756901703	574271325	/nfs/dbraw/zinc/27/13/25/574271325.db2.gz	WZGIHYHLDAYNRC-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
CCC(CC)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756901721	574271922	/nfs/dbraw/zinc/27/19/22/574271922.db2.gz	YHJHTKSPVKQJSL-UHFFFAOYSA-N	-1	0	250.298	2.981	20	30		CFEDRM
CCCCCCCC(=O)N1CCN(C(=O)[O-])[C@H](C)C1	ZINC000739333672	574289730	/nfs/dbraw/zinc/28/97/30/574289730.db2.gz	YFFYZCJMZJUEIE-GFCCVEGCSA-N	-1	0	270.373	2.558	20	30		CFEDRM
Cc1ncsc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749592023	574301027	/nfs/dbraw/zinc/30/10/27/574301027.db2.gz	XGCOZLPLTRRNRJ-SNAWJCMRSA-N	-1	0	290.300	2.961	20	30		CFEDRM
COCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000741760294	574301307	/nfs/dbraw/zinc/30/13/07/574301307.db2.gz	WZSYHQUAUXNHJN-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
CC(C)CON=Cc1cccc(OCCC(=O)[O-])c1	ZINC000749636038	574303587	/nfs/dbraw/zinc/30/35/87/574303587.db2.gz	DMGMFBGJVFESAI-UHFFFAOYSA-N	-1	0	265.309	2.547	20	30		CFEDRM
COc1cccc(O)c1/C=N\C[C@H](O)CC(C)(C)C	ZINC000735228783	574316069	/nfs/dbraw/zinc/31/60/69/574316069.db2.gz	HUWYKSFCPRXETK-FFCYNSPCSA-N	-1	0	265.353	2.617	20	30		CFEDRM
C=CCCCNc1cc(-c2nn[nH]n2)ccc1OCC	ZINC000735412485	574323006	/nfs/dbraw/zinc/32/30/06/574323006.db2.gz	CYDMHIZGPBUWQO-UHFFFAOYSA-N	-1	0	273.340	2.644	20	30		CFEDRM
O=[N+]([O-])c1cc(C=Nn2cnc3ccccc32)ccc1[O-]	ZINC000725848733	574328871	/nfs/dbraw/zinc/32/88/71/574328871.db2.gz	FMZWTIMWKVZIEU-UHFFFAOYSA-N	-1	0	282.259	2.532	20	30		CFEDRM
Cc1ccc2[nH]cc(C=NNc3[n-]cnc4ncnc3-4)c2c1	ZINC000735613679	574331030	/nfs/dbraw/zinc/33/10/30/574331030.db2.gz	HASSRVACNWCCCW-UHFFFAOYSA-N	-1	0	291.318	2.589	20	30		CFEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCC2CCCC2)o1	ZINC000735938889	574342500	/nfs/dbraw/zinc/34/25/00/574342500.db2.gz	GOMXSINRQYRLTJ-UHFFFAOYSA-N	-1	0	289.343	2.566	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cccc(C(=O)[O-])c1	ZINC000755813444	574343305	/nfs/dbraw/zinc/34/33/05/574343305.db2.gz	GPLDZPPKYZGWJS-ZDUSSCGKSA-N	-1	0	263.293	2.652	20	30		CFEDRM
N#CCCCCOC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000739068312	574343524	/nfs/dbraw/zinc/34/35/24/574343524.db2.gz	DWRHKEADFRSLNZ-UHFFFAOYSA-N	-1	0	275.304	2.554	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000736108106	574350397	/nfs/dbraw/zinc/35/03/97/574350397.db2.gz	JXZVCNRMJDHPED-UHFFFAOYSA-N	-1	0	283.711	2.569	20	30		CFEDRM
C=C(C)CNC(=S)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000736094621	574350668	/nfs/dbraw/zinc/35/06/68/574350668.db2.gz	PMMCPJFGYNPAFZ-CYBMUJFWSA-N	-1	0	292.404	2.633	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(O)c(F)c1	ZINC000755824185	574350898	/nfs/dbraw/zinc/35/08/98/574350898.db2.gz	VJVZLVOWODDRAE-ZDUSSCGKSA-N	-1	0	253.273	2.799	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC1CCN(C(=O)[O-])CC1	ZINC000736098230	574351147	/nfs/dbraw/zinc/35/11/47/574351147.db2.gz	XDNMUNNRUWPZMK-UHFFFAOYSA-N	-1	0	297.399	2.517	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000736096862	574351217	/nfs/dbraw/zinc/35/12/17/574351217.db2.gz	SNZYBSZKIJWTDE-NSHDSACASA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736097234	574351283	/nfs/dbraw/zinc/35/12/83/574351283.db2.gz	YPWWCEIHAXVDHG-VIFPVBQESA-N	-1	0	263.297	2.863	20	30		CFEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]2CCCO[C@H]21	ZINC000743418690	574363578	/nfs/dbraw/zinc/36/35/78/574363578.db2.gz	GXHVCEYKNYQOLK-GXTWGEPZSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000398203895	574363943	/nfs/dbraw/zinc/36/39/43/574363943.db2.gz	GQBYWDBVYNEJKL-RISCZKNCSA-N	-1	0	270.373	2.674	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C2CC2)C(=O)O1	ZINC000751031669	574368669	/nfs/dbraw/zinc/36/86/69/574368669.db2.gz	BDETXWDHIMCBDY-KBOKABMXSA-N	-1	0	296.322	2.792	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccccc1C(=O)[O-]	ZINC000751522356	574378300	/nfs/dbraw/zinc/37/83/00/574378300.db2.gz	VSRAXKKZVUAIJH-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
CO[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000753139390	574399214	/nfs/dbraw/zinc/39/92/14/574399214.db2.gz	UFYCZXQGHWSWKW-BKHJPCMFSA-N	-1	0	278.308	2.533	20	30		CFEDRM
Cc1nnc(NN=Cc2cc(Cl)ccc2Cl)[n-]c1=O	ZINC000753689644	574408062	/nfs/dbraw/zinc/40/80/62/574408062.db2.gz	QFKZZEKPTSAECI-UHFFFAOYSA-N	-1	0	298.133	2.638	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000136018654	597334293	/nfs/dbraw/zinc/33/42/93/597334293.db2.gz	XKECMOGBAJLBNX-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
Cc1cc(F)ccc1-c1ccc(C=NNCCC(=O)[O-])o1	ZINC000820980568	597739118	/nfs/dbraw/zinc/73/91/18/597739118.db2.gz	RTYDFRTVQNYLRI-UHFFFAOYSA-N	-1	0	290.294	2.792	20	30		CFEDRM
O=C([O-])CCNN=Cc1ccc(Cl)c(C(F)(F)F)c1	ZINC000821524339	597742578	/nfs/dbraw/zinc/74/25/78/597742578.db2.gz	DQMUUJNMQNMMHO-UHFFFAOYSA-N	-1	0	294.660	2.757	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000061984411	598155061	/nfs/dbraw/zinc/15/50/61/598155061.db2.gz	YDHZANQBQBOBPD-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)Nc1ccccc1C(=O)[O-])C1CC1	ZINC000819875550	598177055	/nfs/dbraw/zinc/17/70/55/598177055.db2.gz	YVVPCUPTNUQUAV-JTQLQIEISA-N	-1	0	287.319	2.541	20	30		CFEDRM
CN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1CCCCCCC1	ZINC000820517884	598225874	/nfs/dbraw/zinc/22/58/74/598225874.db2.gz	UQIRKCWAZHLHPI-HNNXBMFYSA-N	-1	0	280.368	2.562	20	30		CFEDRM
Cc1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1Cl	ZINC000821116902	598229393	/nfs/dbraw/zinc/22/93/93/598229393.db2.gz	WWRFJUJVBNXGFP-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C=CCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000054399471	599807050	/nfs/dbraw/zinc/80/70/50/599807050.db2.gz	UENZTQBBKWAOBO-UHFFFAOYSA-N	-1	0	253.323	2.968	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000231956565	600014053	/nfs/dbraw/zinc/01/40/53/600014053.db2.gz	YUQQEVMSPVDXPL-UHFFFAOYSA-N	-1	0	294.376	2.734	20	30		CFEDRM
O=C([O-])[C@H](Cc1ccccc1)/N=C\c1ccccc1O	ZINC000110291501	600153071	/nfs/dbraw/zinc/15/30/71/600153071.db2.gz	SPDLZINLBDKUKZ-FMNVXAMXSA-N	-1	0	269.300	2.507	20	30		CFEDRM
N#Cc1ccc(N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl	ZINC000405361737	600282526	/nfs/dbraw/zinc/28/25/26/600282526.db2.gz	FFOWEBLJVPOVBB-LBPRGKRZSA-N	-1	0	290.750	2.903	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Oc3cc(O)ccc3C2=O)cc1	ZINC000000149780	600316645	/nfs/dbraw/zinc/31/66/45/600316645.db2.gz	ITXOBXSGTZJLAO-VGOFMYFVSA-N	-1	0	282.251	2.707	20	30		CFEDRM
C=CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000091841236	600377312	/nfs/dbraw/zinc/37/73/12/600377312.db2.gz	YEPWQXSYAONIKO-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCC1	ZINC000739065843	600623846	/nfs/dbraw/zinc/62/38/46/600623846.db2.gz	CJHXWTQJXDQPEB-UHFFFAOYSA-N	-1	0	278.695	2.671	20	30		CFEDRM
C=CCCOCc1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825675890	600693656	/nfs/dbraw/zinc/69/36/56/600693656.db2.gz	JHEBPRGQVKQHIZ-UHFFFAOYSA-N	-1	0	274.276	2.528	20	30		CFEDRM
N#CCSCCCN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000833068128	600822881	/nfs/dbraw/zinc/82/28/81/600822881.db2.gz	QDHBFYGHMWQEMG-GFCCVEGCSA-N	-1	0	290.388	2.712	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Oc3ccccc3C2=O)o1	ZINC000833311878	600830251	/nfs/dbraw/zinc/83/02/51/600830251.db2.gz	FAHZATOLJYMPIL-KPKJPENVSA-N	-1	0	256.213	2.594	20	30		CFEDRM
C=CCNc1nnc(S[C@@H](CCCC)C(=O)[O-])s1	ZINC000825692563	600831654	/nfs/dbraw/zinc/83/16/54/600831654.db2.gz	YAQNKDAPSYFHJZ-QMMMGPOBSA-N	-1	0	287.410	2.872	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccn1	ZINC000829356736	600914637	/nfs/dbraw/zinc/91/46/37/600914637.db2.gz	JCXWEFPJUFKSPS-AWEZNQCLSA-N	-1	0	278.352	2.684	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1F	ZINC000111476070	600927956	/nfs/dbraw/zinc/92/79/56/600927956.db2.gz	ILAVDRJBBBCSEB-UWVGGRQHSA-N	-1	0	290.294	2.527	20	30		CFEDRM
CC(C)C[C@@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)[O-]	ZINC000826815211	600953380	/nfs/dbraw/zinc/95/33/80/600953380.db2.gz	YDKFGCLINVLJCJ-HSBSLETESA-N	-1	0	287.315	2.614	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000825698274	600970011	/nfs/dbraw/zinc/97/00/11/600970011.db2.gz	AKLDKQDMZLWQJF-UHFFFAOYSA-N	-1	0	297.738	2.960	20	30		CFEDRM
N#CCN(CC(=O)[O-])Cc1sc2ccccc2c1Cl	ZINC000833066872	601004520	/nfs/dbraw/zinc/00/45/20/601004520.db2.gz	KMZWFFIKYLJJBO-UHFFFAOYSA-N	-1	0	294.763	2.965	20	30		CFEDRM
Cc1ccc(NC(=O)c2sccc2C#N)cc1C(=O)[O-]	ZINC000832949312	601066169	/nfs/dbraw/zinc/06/61/69/601066169.db2.gz	UJGBFRSIKSIHGA-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(NC(=O)C#Cc2ccccc2)cc1	ZINC000830507718	601198005	/nfs/dbraw/zinc/19/80/05/601198005.db2.gz	NFENWQPDSMCPPH-UHFFFAOYSA-N	-1	0	294.310	2.791	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc(CCC(=O)[O-])cc1	ZINC000833077067	601225712	/nfs/dbraw/zinc/22/57/12/601225712.db2.gz	XMTAEKVDUHYROM-UHFFFAOYSA-N	-1	0	267.288	2.714	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1C(=O)[O-]	ZINC000832948074	601288790	/nfs/dbraw/zinc/28/87/90/601288790.db2.gz	QPSMIWGBTFNXJP-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Oc3c(cccc3Cl)C2=O)[nH]1	ZINC000833312724	601332146	/nfs/dbraw/zinc/33/21/46/601332146.db2.gz	VJVXTMBAJOAFAO-IZZDOVSWSA-N	-1	0	289.674	2.983	20	30		CFEDRM
CCc1ccccc1NN=Cc1ccc(C(=O)[O-])[nH]1	ZINC000830282410	601337230	/nfs/dbraw/zinc/33/72/30/601337230.db2.gz	UKDAYVMZBHTOQQ-UHFFFAOYSA-N	-1	0	257.293	2.721	20	30		CFEDRM
CCC/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209393	601350784	/nfs/dbraw/zinc/35/07/84/601350784.db2.gz	VNPKNMNQPCFICN-KUCQQTCKSA-N	-1	0	287.315	2.974	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2CC23CCCC3)C(=O)[O-])c1	ZINC000833076283	601355857	/nfs/dbraw/zinc/35/58/57/601355857.db2.gz	SYVFXDPHIDTZTM-ZIAGYGMSSA-N	-1	0	299.326	2.807	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F	ZINC000825671540	601430470	/nfs/dbraw/zinc/43/04/70/601430470.db2.gz	SMAZCJXXMWUBLG-CYBMUJFWSA-N	-1	0	266.268	2.851	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000825671492	601430474	/nfs/dbraw/zinc/43/04/74/601430474.db2.gz	QZYLQFHTVKZNMI-VIFPVBQESA-N	-1	0	252.266	2.938	20	30		CFEDRM
C=CCCCC(=O)N(CCC(=O)[O-])Cc1ccccc1	ZINC000825664850	601434955	/nfs/dbraw/zinc/43/49/55/601434955.db2.gz	NUTPIEMQXDYLBO-UHFFFAOYSA-N	-1	0	275.348	2.846	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000825671334	601437119	/nfs/dbraw/zinc/43/71/19/601437119.db2.gz	MQJWTPXIPMYSOY-UHFFFAOYSA-N	-1	0	261.321	2.999	20	30		CFEDRM
C=CCCCC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000825671468	601450621	/nfs/dbraw/zinc/45/06/21/601450621.db2.gz	PTXPIRGRBNMHCL-INIZCTEOSA-N	-1	0	275.348	2.849	20	30		CFEDRM
C=CCCCC(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC000825671200	601467226	/nfs/dbraw/zinc/46/72/26/601467226.db2.gz	FKZLLVWZECOIHX-UHFFFAOYSA-N	-1	0	266.293	2.940	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@](C)(CC)CC(=O)[O-])cc1	ZINC000237124447	601468153	/nfs/dbraw/zinc/46/81/53/601468153.db2.gz	ZGCOKGVHNHDPCM-MRXNPFEDSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C[C@@H]1CC/C(=C/C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000828207771	601568109	/nfs/dbraw/zinc/56/81/09/601568109.db2.gz	QSVYAFXKQOLGKF-VAKJNQMVSA-N	-1	0	299.326	2.974	20	30		CFEDRM
CCN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](C)C#N	ZINC000233466862	601620666	/nfs/dbraw/zinc/62/06/66/601620666.db2.gz	NWTWTUJRDKALFE-SNVBAGLBSA-N	-1	0	264.300	2.505	20	30		CFEDRM
N#Cc1ccccc1OCc1ccc(C(=O)[O-])c(F)c1	ZINC000236480883	601627429	/nfs/dbraw/zinc/62/74/29/601627429.db2.gz	IPEPUSOHZUIFRB-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
C=C[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000825660207	601680598	/nfs/dbraw/zinc/68/05/98/601680598.db2.gz	ZICACVPWIKUEFL-ZCFIWIBFSA-N	-1	0	277.349	2.993	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000111248852	601706640	/nfs/dbraw/zinc/70/66/40/601706640.db2.gz	XOLZMXGRAGPLSV-VXGBXAGGSA-N	-1	0	255.358	2.526	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)c[nH]1	ZINC000833092529	601791454	/nfs/dbraw/zinc/79/14/54/601791454.db2.gz	HWXWGCKSMJFGFL-BHQIHCQQSA-N	-1	0	286.243	2.517	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/CCOc3ccccc3C2=O)c[nH]1	ZINC000833298272	601793362	/nfs/dbraw/zinc/79/33/62/601793362.db2.gz	RBHYEGJIGBTTTQ-XFFZJAGNSA-N	-1	0	283.283	2.762	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/CCc3cc(O)ccc3C2=O)c[nH]1	ZINC000833298469	601793422	/nfs/dbraw/zinc/79/34/22/601793422.db2.gz	VSDACIFHHNEBHP-WZUFQYTHSA-N	-1	0	283.283	2.631	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Oc3ccc(Cl)cc3C2=O)c[nH]1	ZINC000833298008	601793508	/nfs/dbraw/zinc/79/35/08/601793508.db2.gz	MAGSNRANLTUOSY-QCDXTXTGSA-N	-1	0	289.674	2.983	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)C2	ZINC000832487114	601794031	/nfs/dbraw/zinc/79/40/31/601794031.db2.gz	RTPVHOAIPJHTAY-NYYWCZLTSA-N	-1	0	283.283	2.544	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc(Cl)c2)c[nH]1	ZINC000814693565	601795571	/nfs/dbraw/zinc/79/55/71/601795571.db2.gz	YDHVHNHJJPNXMP-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2nccc3sccc32)c[nH]1	ZINC000814809044	601797145	/nfs/dbraw/zinc/79/71/45/601797145.db2.gz	NKIXDQPTFPNOSC-UHFFFAOYSA-N	-1	0	286.316	2.769	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000221962925	601825382	/nfs/dbraw/zinc/82/53/82/601825382.db2.gz	BYMGJBAITWGMAJ-YWEYNIOJSA-N	-1	0	298.294	2.995	20	30		CFEDRM
COc1ccc(O)c(/C=N/Cc2cccc(C(=O)[O-])c2)c1	ZINC000832425062	601845237	/nfs/dbraw/zinc/84/52/37/601845237.db2.gz	NSJVAXWKNAHRKY-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
COc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832573209	601851654	/nfs/dbraw/zinc/85/16/54/601851654.db2.gz	SMQFVLHSGPNGDW-CLFYSBASSA-N	-1	0	283.283	2.544	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C#N)CC(C)C1	ZINC000832916759	601852183	/nfs/dbraw/zinc/85/21/83/601852183.db2.gz	RIFVTHOCTLIRJT-UHFFFAOYSA-N	-1	0	272.304	2.572	20	30		CFEDRM
Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1C(=O)[O-]	ZINC000832942018	602048736	/nfs/dbraw/zinc/04/87/36/602048736.db2.gz	QZWUONPIGUNXJF-UHFFFAOYSA-N	-1	0	272.304	2.572	20	30		CFEDRM
C#Cc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1	ZINC000315976679	602089920	/nfs/dbraw/zinc/08/99/20/602089920.db2.gz	ZMDNMEHWRJYBGE-UHFFFAOYSA-N	-1	0	294.310	2.939	20	30		CFEDRM
C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1ccc2ccccc2n1	ZINC000827240527	602178766	/nfs/dbraw/zinc/17/87/66/602178766.db2.gz	LUMAGWJMQBMJDO-PWSUYJOCSA-N	-1	0	282.299	2.522	20	30		CFEDRM
C[C@@H](CSCc1cc(F)ccc1C#N)C(=O)[O-]	ZINC000086108732	602312912	/nfs/dbraw/zinc/31/29/12/602312912.db2.gz	NJLXNNGTUNLHKU-QMMMGPOBSA-N	-1	0	253.298	2.651	20	30		CFEDRM
CN(Cc1cc(F)ccc1C#N)[C@H](C(=O)[O-])c1ccccc1	ZINC000830806950	602327223	/nfs/dbraw/zinc/32/72/23/602327223.db2.gz	ZMCKJVFWMJHVFS-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
CCC(=CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828549745	602347274	/nfs/dbraw/zinc/34/72/74/602347274.db2.gz	PIIPXKDJMYYZNB-HNNXBMFYSA-N	-1	0	287.315	2.974	20	30		CFEDRM
Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1NC(=O)[O-]	ZINC000830204928	602816075	/nfs/dbraw/zinc/81/60/75/602816075.db2.gz	KSKQAQDALCJSEB-LBPRGKRZSA-N	-1	0	289.335	2.753	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823480876	602965559	/nfs/dbraw/zinc/96/55/59/602965559.db2.gz	QRVPVXCYSQMMOX-PWSUYJOCSA-N	-1	0	296.754	2.500	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823486578	602965562	/nfs/dbraw/zinc/96/55/62/602965562.db2.gz	ZAFWELMEROOLRL-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
N#Cc1cnc(NC2CCC(NC(=O)[O-])CC2)c(Cl)c1	ZINC000139517047	603082286	/nfs/dbraw/zinc/08/22/86/603082286.db2.gz	YDNMHDGYVYOZST-UHFFFAOYSA-N	-1	0	294.742	2.597	20	30		CFEDRM
CN(C(=O)[O-])[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1	ZINC000827823705	603183772	/nfs/dbraw/zinc/18/37/72/603183772.db2.gz	XUZBNOREESQRMP-LLVKDONJSA-N	-1	0	293.754	2.790	20	30		CFEDRM
N#Cc1cccc(Cl)c1NC[C@H]1CCCN1C(=O)[O-]	ZINC000831145833	603188458	/nfs/dbraw/zinc/18/84/58/603188458.db2.gz	BOJYZQULBPTAHF-SNVBAGLBSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000831118421	603197781	/nfs/dbraw/zinc/19/77/81/603197781.db2.gz	YMLTUHGLCZKIJF-GXFFZTMASA-N	-1	0	291.326	2.936	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000831109387	603199633	/nfs/dbraw/zinc/19/96/33/603199633.db2.gz	HUOYPSCDRQJFNC-GWCFXTLKSA-N	-1	0	291.326	2.936	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000831109390	603200011	/nfs/dbraw/zinc/20/00/11/603200011.db2.gz	HUOYPSCDRQJFNC-ZWNOBZJWSA-N	-1	0	291.326	2.936	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823481086	603239005	/nfs/dbraw/zinc/23/90/05/603239005.db2.gz	XVVJMGRKTQHOIA-SNVBAGLBSA-N	-1	0	293.392	2.878	20	30		CFEDRM
C[C@H](NN=Cc1ccc(NC(=O)[O-])nc1)c1ccccc1	ZINC000825502088	603486771	/nfs/dbraw/zinc/48/67/71/603486771.db2.gz	HCNJNFAGRBYLED-NSHDSACASA-N	-1	0	284.319	2.856	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2ccccc2F)cn1	ZINC000832841031	603488871	/nfs/dbraw/zinc/48/88/71/603488871.db2.gz	PRGHQWGXCAYMBK-UHFFFAOYSA-N	-1	0	274.255	2.757	20	30		CFEDRM
CCC(CC)(CNc1ccc(C#N)cc1)NC(=O)[O-]	ZINC000826566491	603523979	/nfs/dbraw/zinc/52/39/79/603523979.db2.gz	LWVIOSYYRDFTDW-UHFFFAOYSA-N	-1	0	261.325	2.797	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCc2cccc(Cl)c2)CC1	ZINC000832240280	603605212	/nfs/dbraw/zinc/60/52/12/603605212.db2.gz	UWWIXNGBYHGFRZ-UHFFFAOYSA-N	-1	0	295.770	2.996	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NNCc3ccccc3)c21	ZINC000832080182	603821145	/nfs/dbraw/zinc/82/11/45/603821145.db2.gz	SOXOTTNLODNSTF-UHFFFAOYSA-N	-1	0	295.342	2.851	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CC)C(=O)[O-])c1	ZINC000900355978	620664128	/nfs/dbraw/zinc/66/41/28/620664128.db2.gz	XRFGEDLNCLAXQL-GFCCVEGCSA-N	-1	0	262.309	2.704	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2ccccc2F)CC1	ZINC000831869916	603858932	/nfs/dbraw/zinc/85/89/32/603858932.db2.gz	USRYDGQGELXGMZ-UHFFFAOYSA-N	-1	0	265.288	2.613	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1	ZINC000825783306	604002134	/nfs/dbraw/zinc/00/21/34/604002134.db2.gz	GBIAXPKMJPUIAI-UHFFFAOYSA-N	-1	0	299.330	2.605	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC1(NC(=O)[O-])CCCCC1	ZINC000823490535	604046281	/nfs/dbraw/zinc/04/62/81/604046281.db2.gz	FQFQMJXVMMIFAP-UHFFFAOYSA-N	-1	0	294.395	2.842	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-]	ZINC000823490893	604046717	/nfs/dbraw/zinc/04/67/17/604046717.db2.gz	NDBGROFUIFRTFF-TZMCWYRMSA-N	-1	0	294.395	2.792	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-]	ZINC000823490892	604046841	/nfs/dbraw/zinc/04/68/41/604046841.db2.gz	NDBGROFUIFRTFF-OCCSQVGLSA-N	-1	0	294.395	2.792	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC(CN(C)C(=O)[O-])CC1	ZINC000823491256	604048205	/nfs/dbraw/zinc/04/82/05/604048205.db2.gz	TZZWGFPWVDCNAJ-UHFFFAOYSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823500258	604282755	/nfs/dbraw/zinc/28/27/55/604282755.db2.gz	DKGJGROVFDOUTR-UONOGXRCSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)nc2)cc1	ZINC000825401738	604345924	/nfs/dbraw/zinc/34/59/24/604345924.db2.gz	FKAIVKYWTZNQCK-NSHDSACASA-N	-1	0	296.330	2.894	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)nc2)cc1	ZINC000825401737	604345996	/nfs/dbraw/zinc/34/59/96/604345996.db2.gz	FKAIVKYWTZNQCK-LLVKDONJSA-N	-1	0	296.330	2.894	20	30		CFEDRM
C=C(C)COC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823480993	604412926	/nfs/dbraw/zinc/41/29/26/604412926.db2.gz	UODKYMQPFNBWOZ-VXGBXAGGSA-N	-1	0	269.341	2.522	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000820934269	604451112	/nfs/dbraw/zinc/45/11/12/604451112.db2.gz	QKKCFOLISMXUKT-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
COc1ccc(O)c(/C=N\CCc2cccc(C(=O)[O-])c2)c1	ZINC000833733244	604534145	/nfs/dbraw/zinc/53/41/45/604534145.db2.gz	DYBMZFFCPKXHCX-WQRHYEAKSA-N	-1	0	299.326	2.761	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H]1CC(=O)[O-]	ZINC000104520018	604576679	/nfs/dbraw/zinc/57/66/79/604576679.db2.gz	DYQITPNCSPVWJV-GFCCVEGCSA-N	-1	0	255.358	2.813	20	30		CFEDRM
CC(C)=C(C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833462492	604584586	/nfs/dbraw/zinc/58/45/86/604584586.db2.gz	CEKZVRBBIXIQFJ-UHFFFAOYSA-N	-1	0	273.288	2.656	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1ccc(C(=O)[O-])s1)OCC	ZINC000833368940	604597547	/nfs/dbraw/zinc/59/75/47/604597547.db2.gz	YAEPNUUAGDFRGR-LLVKDONJSA-N	-1	0	298.360	2.861	20	30		CFEDRM
C=C(C)[C@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)OCC	ZINC000833368944	604597616	/nfs/dbraw/zinc/59/76/16/604597616.db2.gz	YBBQTYMBPMDHGF-GWCFXTLKSA-N	-1	0	296.319	2.953	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cnc3ccccn23)cc1	ZINC000833309990	604630581	/nfs/dbraw/zinc/63/05/81/604630581.db2.gz	KWPLCMYXMKYADZ-CMDGGOBGSA-N	-1	0	292.294	2.929	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccnc2)cc1	ZINC000833309892	604630921	/nfs/dbraw/zinc/63/09/21/604630921.db2.gz	IGRPVWUAGHRAGS-BAQGIRSFSA-N	-1	0	253.257	2.676	20	30		CFEDRM
C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C(C)=C\C	ZINC000825702473	604634721	/nfs/dbraw/zinc/63/47/21/604634721.db2.gz	ORILCICSTCLSPH-POHAHGRESA-N	-1	0	290.315	2.994	20	30		CFEDRM
CC(N=Nc1cccnn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814854349	604641145	/nfs/dbraw/zinc/64/11/45/604641145.db2.gz	WCMQGGSDFNKDNM-SNVBAGLBSA-N	-1	0	264.329	2.546	20	30		CFEDRM
N#Cc1ccc(OCc2occc2C(=O)[O-])c(F)c1	ZINC000232362529	604648733	/nfs/dbraw/zinc/64/87/33/604648733.db2.gz	HSYYSVPTKGTWQU-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
C#Cc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1	ZINC000777357860	604674704	/nfs/dbraw/zinc/67/47/04/604674704.db2.gz	XRXDYWUORXXUMS-UHFFFAOYSA-N	-1	0	279.295	2.547	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCc2ccc(Cl)cc2)CC1	ZINC000832239642	604680485	/nfs/dbraw/zinc/68/04/85/604680485.db2.gz	MTSHWQCWZRKAAY-UHFFFAOYSA-N	-1	0	295.770	2.996	20	30		CFEDRM
C[C@@H](c1ccncc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833549188	604719980	/nfs/dbraw/zinc/71/99/80/604719980.db2.gz	BRHINVDXUSITLQ-LBPRGKRZSA-N	-1	0	295.342	2.844	20	30		CFEDRM
CCN(Cc1ccoc1)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829734958	604737492	/nfs/dbraw/zinc/73/74/92/604737492.db2.gz	XAULAKJMQOMWQF-OAHLLOKOSA-N	-1	0	284.315	2.799	20	30		CFEDRM
C[C@@H](SCC#Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000827902699	604787530	/nfs/dbraw/zinc/78/75/30/604787530.db2.gz	PZPZXTGNTOSBFY-SECBINFHSA-N	-1	0	254.738	2.898	20	30		CFEDRM
C#CCCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000236440111	604795276	/nfs/dbraw/zinc/79/52/76/604795276.db2.gz	VKBSJEURLNGBON-UHFFFAOYSA-N	-1	0	269.094	2.549	20	30		CFEDRM
C[C@H](CSCC#Cc1ccc(F)cc1)C(=O)[O-]	ZINC000827575522	604799563	/nfs/dbraw/zinc/79/95/63/604799563.db2.gz	OKNXRGITFSFEDI-SNVBAGLBSA-N	-1	0	252.310	2.631	20	30		CFEDRM
N#Cc1c(Cl)nsc1NCC1(C(=O)[O-])CCCC1	ZINC000833760764	604865341	/nfs/dbraw/zinc/86/53/41/604865341.db2.gz	CAVHNAQGOBPWSN-UHFFFAOYSA-N	-1	0	285.756	2.725	20	30		CFEDRM
CC1=C(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1	ZINC000833578355	604880947	/nfs/dbraw/zinc/88/09/47/604880947.db2.gz	GVNVPAMAFPBIHT-AWEZNQCLSA-N	-1	0	285.299	2.728	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000165745654	604912292	/nfs/dbraw/zinc/91/22/92/604912292.db2.gz	WFOPWPXCYVCLAH-UHFFFAOYSA-N	-1	0	260.293	2.567	20	30		CFEDRM
C=C(CC)CNc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000833370142	605005308	/nfs/dbraw/zinc/00/53/08/605005308.db2.gz	LFEIFZSURWBVAB-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
C#CCCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000236432152	605008699	/nfs/dbraw/zinc/00/86/99/605008699.db2.gz	RGBBLBJQDAUFQP-CYBMUJFWSA-N	-1	0	285.343	2.785	20	30		CFEDRM
COc1ccc(C#N)cc1CSC[C@H](C)C(=O)[O-]	ZINC000130193985	605010884	/nfs/dbraw/zinc/01/08/84/605010884.db2.gz	BTFPLUBPKNWYFJ-VIFPVBQESA-N	-1	0	265.334	2.521	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1	ZINC000833369875	605060083	/nfs/dbraw/zinc/06/00/83/605060083.db2.gz	GVKBJJTUUOFJAT-UHFFFAOYSA-N	-1	0	299.330	2.968	20	30		CFEDRM
CC#CCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833380408	605067775	/nfs/dbraw/zinc/06/77/75/605067775.db2.gz	DFMYUTZVQMFJBM-NSHDSACASA-N	-1	0	272.131	2.732	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000111475930	605083877	/nfs/dbraw/zinc/08/38/77/605083877.db2.gz	QUKHXEWVVKLCRY-UHFFFAOYSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)C2CCC(C(=O)[O-])CC2)c1	ZINC000194430982	605085637	/nfs/dbraw/zinc/08/56/37/605085637.db2.gz	VQEQQCDHABKXBN-UHFFFAOYSA-N	-1	0	299.370	2.912	20	30		CFEDRM
CC(C)(C#N)CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000833412602	605095631	/nfs/dbraw/zinc/09/56/31/605095631.db2.gz	CVOQPJNBPNVAJC-UHFFFAOYSA-N	-1	0	294.286	2.587	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc(O)c1	ZINC000812442217	605100900	/nfs/dbraw/zinc/10/09/00/605100900.db2.gz	VBVHFVVVPMVBRR-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
C#CCOc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000236812257	605109068	/nfs/dbraw/zinc/10/90/68/605109068.db2.gz	JMOOFCLBOWULKK-UHFFFAOYSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C=CCN(C(=O)Nc1ccsc1C(=O)[O-])C(C)C	ZINC000833375284	605126921	/nfs/dbraw/zinc/12/69/21/605126921.db2.gz	NRJDSGHAXPZENM-UHFFFAOYSA-N	-1	0	268.338	2.875	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000063097062	605132680	/nfs/dbraw/zinc/13/26/80/605132680.db2.gz	HTVMUWAUGRKIFM-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C[C@@H]1OCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833634223	605156897	/nfs/dbraw/zinc/15/68/97/605156897.db2.gz	LPRDWDUKBLKETE-ZETCQYMHSA-N	-1	0	268.700	2.615	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000833603490	605163303	/nfs/dbraw/zinc/16/33/03/605163303.db2.gz	BIKYASQXJXCNSL-SWHYSGLUSA-N	-1	0	287.315	2.663	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](CSc2ccccc2C#N)O1	ZINC000833582912	605237208	/nfs/dbraw/zinc/23/72/08/605237208.db2.gz	ZALNFJVQUUJXJL-LLVKDONJSA-N	-1	0	275.329	2.798	20	30		CFEDRM
N#Cc1ccc(CNc2ccc(NC(=O)[O-])cc2)o1	ZINC000831126481	605243309	/nfs/dbraw/zinc/24/33/09/605243309.db2.gz	HENILQQMWHXKIO-UHFFFAOYSA-N	-1	0	257.249	2.853	20	30		CFEDRM
CC(C)(C#N)CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833413393	605283499	/nfs/dbraw/zinc/28/34/99/605283499.db2.gz	NVPCQKKHUNRYCZ-UHFFFAOYSA-N	-1	0	294.286	2.587	20	30		CFEDRM
N#Cc1ccc(SC2CCN(C(=O)[O-])CC2)c(F)c1	ZINC000833977833	605388238	/nfs/dbraw/zinc/38/82/38/605388238.db2.gz	ZLNADIYYLIULJX-UHFFFAOYSA-N	-1	0	280.324	2.932	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)COc1ccc(CC)cc1	ZINC000042344765	620684827	/nfs/dbraw/zinc/68/48/27/620684827.db2.gz	ANNQBONVXSPEPV-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
Cc1ccnc(N=NC(C)C[C@H]2CCCN2C(=O)[O-])c1	ZINC000824760695	605466127	/nfs/dbraw/zinc/46/61/27/605466127.db2.gz	WVNHFXCBYRUBRR-GFCCVEGCSA-N	-1	0	276.340	2.710	20	30		CFEDRM
COc1ccc(CNc2ccc(NC(=O)[O-])nc2)cc1C#N	ZINC000829388870	605520088	/nfs/dbraw/zinc/52/00/88/605520088.db2.gz	CRVZVCLEOMZGPH-UHFFFAOYSA-N	-1	0	298.302	2.664	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000833361960	605602356	/nfs/dbraw/zinc/60/23/56/605602356.db2.gz	UCWSGWJKGICDIN-OAHLLOKOSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833361759	605673402	/nfs/dbraw/zinc/67/34/02/605673402.db2.gz	KFJJNTDXIWLLSN-MRXNPFEDSA-N	-1	0	299.326	2.811	20	30		CFEDRM
CC1(C#N)CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1	ZINC000833551098	605713755	/nfs/dbraw/zinc/71/37/55/605713755.db2.gz	GPOLDROGGNYWTM-UHFFFAOYSA-N	-1	0	293.348	2.604	20	30		CFEDRM
C=CCCC(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833373446	605812771	/nfs/dbraw/zinc/81/27/71/605812771.db2.gz	PNUJYYXWKLWNTF-UHFFFAOYSA-N	-1	0	252.241	2.533	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(C(=O)[O-])ccc1Cl	ZINC000833760494	605845222	/nfs/dbraw/zinc/84/52/22/605845222.db2.gz	WBCWUFATOSUNHU-UHFFFAOYSA-N	-1	0	291.738	2.668	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(COC(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000833368684	605905193	/nfs/dbraw/zinc/90/51/93/605905193.db2.gz	PILSPTXLKFTUPU-LLVKDONJSA-N	-1	0	291.303	2.832	20	30		CFEDRM
C#CCCCCC(=O)Oc1ccc(CC(=O)[O-])cc1F	ZINC000833362738	605912918	/nfs/dbraw/zinc/91/29/18/605912918.db2.gz	HQDKUOHTXWRGMU-UHFFFAOYSA-N	-1	0	278.279	2.552	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@H](CNC(=O)[O-])C1	ZINC000833976148	605948121	/nfs/dbraw/zinc/94/81/21/605948121.db2.gz	IVCQVDGEIVRBNW-SNVBAGLBSA-N	-1	0	293.754	2.696	20	30		CFEDRM
N#CCC[C@@H](C#N)COc1cccc(NC(=O)[O-])c1	ZINC000833968820	606037628	/nfs/dbraw/zinc/03/76/28/606037628.db2.gz	OFRRJPSNQYBHBO-JTQLQIEISA-N	-1	0	259.265	2.599	20	30		CFEDRM
O=C([O-])N1CCC[C@H](CN=Nc2ccc(F)cc2F)C1	ZINC000834099106	606045768	/nfs/dbraw/zinc/04/57/68/606045768.db2.gz	NEGZJCLWYGEGNC-SECBINFHSA-N	-1	0	283.278	2.753	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](CN=Nc2ccc(F)cc2F)C1	ZINC000834099109	606046003	/nfs/dbraw/zinc/04/60/03/606046003.db2.gz	NEGZJCLWYGEGNC-VIFPVBQESA-N	-1	0	283.278	2.753	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1ccncc1Cl	ZINC000834184052	606080710	/nfs/dbraw/zinc/08/07/10/606080710.db2.gz	MZUAQVIIZWCCDX-LLVKDONJSA-N	-1	0	296.758	2.525	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000049416793	617603617	/nfs/dbraw/zinc/60/36/17/617603617.db2.gz	ODNMQZBMHKKRHZ-GFCCVEGCSA-N	-1	0	297.376	2.621	20	30		CFEDRM
CC(C)COc1cccc(C(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049418137	617604031	/nfs/dbraw/zinc/60/40/31/617604031.db2.gz	JCPFABLYUHZBBE-UHFFFAOYSA-N	-1	0	299.392	2.764	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)C1CCCCC1)C1CC1	ZINC000049502263	617606559	/nfs/dbraw/zinc/60/65/59/617606559.db2.gz	LTYHRYAPXOCVJA-KTKRTIGZSA-N	-1	0	271.382	2.962	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c(C)s1	ZINC000049501834	617607051	/nfs/dbraw/zinc/60/70/51/617607051.db2.gz	NQRNYIPTZOJLPY-MUWHJKNJSA-N	-1	0	273.379	2.666	20	30		CFEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049514016	617607930	/nfs/dbraw/zinc/60/79/30/617607930.db2.gz	GDIKCKVWBINSEN-NSHDSACASA-N	-1	0	291.413	2.667	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1	ZINC000049515794	617608031	/nfs/dbraw/zinc/60/80/31/617608031.db2.gz	PGSXFFPTABCRHY-UHFFFAOYSA-N	-1	0	297.376	2.921	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514256	617608139	/nfs/dbraw/zinc/60/81/39/617608139.db2.gz	JCZIBHWKVCUENH-ONGXEEELSA-N	-1	0	259.371	2.509	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000890550003	617641023	/nfs/dbraw/zinc/64/10/23/617641023.db2.gz	GRRAPUUQEZEJCP-SECBINFHSA-N	-1	0	296.710	2.744	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1cccs1	ZINC000042243436	617641989	/nfs/dbraw/zinc/64/19/89/617641989.db2.gz	ISRILVUFRIXRNK-VIFPVBQESA-N	-1	0	271.363	2.750	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cccc(Br)c1[O-]	ZINC000890557072	617650056	/nfs/dbraw/zinc/65/00/56/617650056.db2.gz	RJNQPXAKSJBNCK-VIFPVBQESA-N	-1	0	296.164	2.945	20	30		CFEDRM
C[C@@]1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1	ZINC000255386440	617707573	/nfs/dbraw/zinc/70/75/73/617707573.db2.gz	RLZVRSJPCJOKRM-XKBFBRDOSA-N	-1	0	298.726	2.942	20	30		CFEDRM
N#Cc1c(OCC(=O)[O-])cccc1-c1cnc(C2CC2)o1	ZINC000901050437	620747498	/nfs/dbraw/zinc/74/74/98/620747498.db2.gz	ZEXYHORLDIQUSM-UHFFFAOYSA-N	-1	0	284.271	2.554	20	30		CFEDRM
Cn1nc(-c2ccc(C3CC3)c(C#N)c2)cc1C(=O)[O-]	ZINC000901080150	620750422	/nfs/dbraw/zinc/75/04/22/620750422.db2.gz	PEBMXHYNORZMMC-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
C#CCCCCC(=O)NCc1cccc(Cl)c1O	ZINC000890760252	617839952	/nfs/dbraw/zinc/83/99/52/617839952.db2.gz	LYCMZBHDGALXDX-UHFFFAOYSA-N	-1	0	265.740	2.855	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000890815165	617912034	/nfs/dbraw/zinc/91/20/34/617912034.db2.gz	YEMDWGHZDFXOPO-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2cc(F)ccc2[O-])o1	ZINC000255087291	617955277	/nfs/dbraw/zinc/95/52/77/617955277.db2.gz	XWWLKZNQFTXBPG-UTCJRWHESA-N	-1	0	290.246	2.807	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC3(C2)CCCC3)nc1	ZINC000901206733	620765019	/nfs/dbraw/zinc/76/50/19/620765019.db2.gz	XTXIBSFHZBJGKA-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21	ZINC000048761837	617976209	/nfs/dbraw/zinc/97/62/09/617976209.db2.gz	AAXUQTSIYKPOBK-UHFFFAOYSA-N	-1	0	294.376	2.728	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000263398985	617979959	/nfs/dbraw/zinc/97/99/59/617979959.db2.gz	IJCTTXAIAUCYGG-ZDUSSCGKSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1ccc(F)c(O)c1C=NN[C@H](C)C(F)(F)F	ZINC000901249655	620771763	/nfs/dbraw/zinc/77/17/63/620771763.db2.gz	FKQXMBHMBRVSSA-SSDOTTSWSA-N	-1	0	264.222	2.714	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000048451563	618071949	/nfs/dbraw/zinc/07/19/49/618071949.db2.gz	OLPKRTDHICQSAO-UHFFFAOYSA-N	-1	0	285.365	2.921	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3ccc(CC(=O)[O-])cc3)C2)CO1	ZINC000901262055	620777572	/nfs/dbraw/zinc/77/75/72/620777572.db2.gz	SXMURBSABZFHSN-ZVDHGWRTSA-N	-1	0	288.347	2.671	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]O[C@@H]1CCCCO1	ZINC000780980840	618127623	/nfs/dbraw/zinc/12/76/23/618127623.db2.gz	UMAJAHDORAPWLC-QWHCGFSZSA-N	-1	0	286.372	2.532	20	30		CFEDRM
C[C@@H]1CC(=NC(=O)c2cc(Cl)cc(Cl)c2[O-])NO1	ZINC000935136697	618189434	/nfs/dbraw/zinc/18/94/34/618189434.db2.gz	KJRJYRHDPSVKJP-RXMQYKEDSA-N	-1	0	289.118	2.551	20	30		CFEDRM
C[C@H]1CC(NN=Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1	ZINC000901298387	620785027	/nfs/dbraw/zinc/78/50/27/620785027.db2.gz	DPTOOQHQUYDSJY-IUCAKERBSA-N	-1	0	284.306	2.550	20	30		CFEDRM
CC(C)CCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176818124	618205257	/nfs/dbraw/zinc/20/52/57/618205257.db2.gz	UHIVQIPLOCOQPV-NSHDSACASA-N	-1	0	276.336	2.654	20	30		CFEDRM
Cc1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176818948	618205410	/nfs/dbraw/zinc/20/54/10/618205410.db2.gz	WIBOSMDQCAJAJP-UHFFFAOYSA-N	-1	0	266.300	2.754	20	30		CFEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000049178098	618252151	/nfs/dbraw/zinc/25/21/51/618252151.db2.gz	BVXPMUKPYVGVBY-GFCCVEGCSA-N	-1	0	299.392	2.845	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccnc(Cl)c2)c1	ZINC000255696334	618265608	/nfs/dbraw/zinc/26/56/08/618265608.db2.gz	TXCNZHDGSAFDGY-RQOWECAXSA-N	-1	0	299.717	2.964	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNC1CCC(F)(F)CC1	ZINC000901345521	620797902	/nfs/dbraw/zinc/79/79/02/620797902.db2.gz	UGMPEKBREPIFOI-UHFFFAOYSA-N	-1	0	299.277	2.802	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000909480361	618405660	/nfs/dbraw/zinc/40/56/60/618405660.db2.gz	BSKIKWLUDLXERQ-SWLSCSKDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)ccc1F	ZINC000066229936	618468619	/nfs/dbraw/zinc/46/86/19/618468619.db2.gz	DLDXQIYRTUCOLS-UHFFFAOYSA-N	-1	0	273.329	2.569	20	30		CFEDRM
CCCC(Cc1ccccc1)N=Nc1nnc(C)c(=O)[n-]1	ZINC000727254520	618469998	/nfs/dbraw/zinc/46/99/98/618469998.db2.gz	UYEYNUWIZRNGHQ-UHFFFAOYSA-N	-1	0	285.351	2.696	20	30		CFEDRM
C=CCN(Cc1ccc(/C=C\C(=O)[O-])o1)CC(F)(F)F	ZINC000901427292	620815488	/nfs/dbraw/zinc/81/54/88/620815488.db2.gz	XYFUHEVLDBOHLW-WAYWQWQTSA-N	-1	0	289.253	2.928	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(O[C@H](C)CC)cc1	ZINC000909514037	618524528	/nfs/dbraw/zinc/52/45/28/618524528.db2.gz	AUGDCCRTMNQVGJ-GFCCVEGCSA-N	-1	0	291.347	2.577	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC1CC1)C(=O)[O-]	ZINC000310705572	618606989	/nfs/dbraw/zinc/60/69/89/618606989.db2.gz	CMBREACNYOSSIP-GFCCVEGCSA-N	-1	0	255.358	2.716	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2sccc2C)CC1	ZINC000892989796	618792679	/nfs/dbraw/zinc/79/26/79/618792679.db2.gz	LUPFHRUGLBXGMK-UHFFFAOYSA-N	-1	0	299.417	2.608	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)s1	ZINC000119716201	618807052	/nfs/dbraw/zinc/80/70/52/618807052.db2.gz	YFZDNADMUQGKTG-SECBINFHSA-N	-1	0	296.779	2.783	20	30		CFEDRM
CC(N=Nc1ccc(Cl)nn1)c1cc(C(=O)[O-])cs1	ZINC000814698002	619256960	/nfs/dbraw/zinc/25/69/60/619256960.db2.gz	MASMCQPYAZHOLS-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(C#N)c1	ZINC000814786272	619258998	/nfs/dbraw/zinc/25/89/98/619258998.db2.gz	BNWNPGZMLCGTDK-UHFFFAOYSA-N	-1	0	271.320	2.991	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000048518194	619348488	/nfs/dbraw/zinc/34/84/88/619348488.db2.gz	PRNGKVYYVINIRQ-ZETCQYMHSA-N	-1	0	261.368	2.748	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)OCc1ccccc1	ZINC000048518638	619348637	/nfs/dbraw/zinc/34/86/37/619348637.db2.gz	AOQCVAPULMOUOL-GFCCVEGCSA-N	-1	0	299.392	2.678	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518812	619349099	/nfs/dbraw/zinc/34/90/99/619349099.db2.gz	WMKAAAOGRQEWHB-UHFFFAOYSA-N	-1	0	273.329	2.658	20	30		CFEDRM
C=CCOc1ccc(C(=O)[N-]S(=O)(=O)CCCC)cc1	ZINC000048518689	619349103	/nfs/dbraw/zinc/34/91/03/619349103.db2.gz	FTWHVUOEIDCAAZ-UHFFFAOYSA-N	-1	0	297.376	2.686	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)o1	ZINC000048518940	619349202	/nfs/dbraw/zinc/34/92/02/619349202.db2.gz	FCSWZYSHKABMNA-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519824	619350410	/nfs/dbraw/zinc/35/04/10/619350410.db2.gz	DZWIMOIKYDDTTB-ZETCQYMHSA-N	-1	0	277.292	2.656	20	30		CFEDRM
CCCCCCCC(=O)NCC1(C(=O)[O-])CCC1	ZINC000147434944	619458143	/nfs/dbraw/zinc/45/81/43/619458143.db2.gz	OAOJPNVWCYAIPF-UHFFFAOYSA-N	-1	0	255.358	2.718	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc2ccccc2c1)C(=O)[O-]	ZINC000793054265	619505447	/nfs/dbraw/zinc/50/54/47/619505447.db2.gz	DSHAOAPNVLLFFN-CQSZACIVSA-N	-1	0	256.305	2.627	20	30		CFEDRM
CC[C@H](NN=C1CC(C)(C)c2ccccc21)C(=O)[O-]	ZINC000793072033	619507119	/nfs/dbraw/zinc/50/71/19/619507119.db2.gz	ODELCGYXRCTEQO-LBPRGKRZSA-N	-1	0	260.337	2.525	20	30		CFEDRM
C[C@@H](NN=Cc1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C	ZINC000793115701	619510614	/nfs/dbraw/zinc/51/06/14/619510614.db2.gz	SRJWMNOELFSQFM-SECBINFHSA-N	-1	0	265.313	2.659	20	30		CFEDRM
C=CCC[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCC	ZINC000894917021	619512363	/nfs/dbraw/zinc/51/23/63/619512363.db2.gz	MRLUKEAMBGNLSG-CYBMUJFWSA-N	-1	0	299.317	2.658	20	30		CFEDRM
CC[C@H](C)CON=C(C)c1cc(C(=O)[O-])ccc1O	ZINC000793158467	619531785	/nfs/dbraw/zinc/53/17/85/619531785.db2.gz	GVUDUBQDZGLLDA-VIFPVBQESA-N	-1	0	265.309	2.877	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000793163873	619534338	/nfs/dbraw/zinc/53/43/38/619534338.db2.gz	NHWPSHODNJRDGO-GFCCVEGCSA-N	-1	0	279.336	2.937	20	30		CFEDRM
C=C(C)C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)OCC	ZINC000895591951	619565489	/nfs/dbraw/zinc/56/54/89/619565489.db2.gz	IVAGJECUGZRWHY-ZDUSSCGKSA-N	-1	0	299.317	2.658	20	30		CFEDRM
C=C(C)C[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)OCC	ZINC000895592787	619566000	/nfs/dbraw/zinc/56/60/00/619566000.db2.gz	SXTNIHXBBPITAW-GFCCVEGCSA-N	-1	0	299.317	2.658	20	30		CFEDRM
CC[C@H](C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840707571	619867069	/nfs/dbraw/zinc/86/70/69/619867069.db2.gz	PXBNMYXFNVEOIO-FYDZSFHJSA-N	-1	0	280.324	2.780	20	30		CFEDRM
CCO[C@H]1C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000840708985	619884330	/nfs/dbraw/zinc/88/43/30/619884330.db2.gz	AFPKLKPPJBBXPM-IPUWSDAOSA-N	-1	0	298.726	2.940	20	30		CFEDRM
CCC1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])COC1	ZINC000840709836	619898238	/nfs/dbraw/zinc/89/82/38/619898238.db2.gz	ODZSIQUEANCTPT-WCSRMQSCSA-N	-1	0	298.726	2.799	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@@H]3C[C@@H]32)c1	ZINC000840710289	619905575	/nfs/dbraw/zinc/90/55/75/619905575.db2.gz	IRJLBRSGPJFSPO-FKFMDNAXSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909642309	620014025	/nfs/dbraw/zinc/01/40/25/620014025.db2.gz	GJKOIIVJTPRQIZ-CQSZACIVSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C#CCCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000160514816	620036026	/nfs/dbraw/zinc/03/60/26/620036026.db2.gz	GIJPXYMJBBEHCV-UHFFFAOYSA-N	-1	0	269.703	2.718	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000909656187	620038338	/nfs/dbraw/zinc/03/83/38/620038338.db2.gz	PHONGQRVBKCYNY-DYEKYZERSA-N	-1	0	275.348	2.572	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)C)n[nH]1	ZINC000888117466	620121391	/nfs/dbraw/zinc/12/13/91/620121391.db2.gz	LFSXFKVEDKVJGE-UHFFFAOYSA-N	-1	0	291.351	2.682	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)c2ccccc2)n1	ZINC000263629780	620190202	/nfs/dbraw/zinc/19/02/02/620190202.db2.gz	HNHYXWAVXGQPKV-SNVBAGLBSA-N	-1	0	256.309	2.692	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000864186181	620205289	/nfs/dbraw/zinc/20/52/89/620205289.db2.gz	KGDWZSYOLNVOSY-LSJOCFKGSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C1CN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1	ZINC000898697490	620490665	/nfs/dbraw/zinc/49/06/65/620490665.db2.gz	ZNHNULQLPQIAQP-UHFFFAOYSA-N	-1	0	297.358	2.713	20	30		CFEDRM
COC[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000899227952	620532855	/nfs/dbraw/zinc/53/28/55/620532855.db2.gz	VOLNCEPJGZJWEJ-CUTJPZLCSA-N	-1	0	280.324	2.638	20	30		CFEDRM
C[C@@H]1CC2(CC(/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)CO1	ZINC000899231608	620533736	/nfs/dbraw/zinc/53/37/36/620533736.db2.gz	SLTZMKSUXNNQEH-CGIWGWJASA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000899297881	620542864	/nfs/dbraw/zinc/54/28/64/620542864.db2.gz	LFLZAQREVSOEGE-CHWSQXEVSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)cc1	ZINC000899347203	620547785	/nfs/dbraw/zinc/54/77/85/620547785.db2.gz	MPIKBTCPRSIZIZ-LLVKDONJSA-N	-1	0	293.248	2.849	20	30		CFEDRM
C#CCCc1cc(=O)n(C2CCC(F)(F)CC2)[n-]1	ZINC000899364634	620551280	/nfs/dbraw/zinc/55/12/80/620551280.db2.gz	CERZJNUPOWURDI-UHFFFAOYSA-N	-1	0	254.280	2.566	20	30		CFEDRM
O=C(/C=C/c1cnn(C2CCC2)c1)c1ccc(O)cc1[O-]	ZINC000899362558	620553640	/nfs/dbraw/zinc/55/36/40/620553640.db2.gz	XBAZFBSHTDKTOA-QPJJXVBHSA-N	-1	0	284.315	2.915	20	30		CFEDRM
O=C([O-])c1cncc(/C=C\C(=O)c2ccnn2C2CCC2)c1	ZINC000899399687	620560134	/nfs/dbraw/zinc/56/01/34/620560134.db2.gz	BMDXTAGMJBUFFY-PLNGDYQASA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccnn2C2CCC2)cn1	ZINC000899400929	620560694	/nfs/dbraw/zinc/56/06/94/620560694.db2.gz	ORANDVVJESMZNB-FNORWQNLSA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cnn(C3CCC3)c2)cn1	ZINC000899401209	620560827	/nfs/dbraw/zinc/56/08/27/620560827.db2.gz	SGQGRMFDQFRVMT-ALCCZGGFSA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1ccccc1F	ZINC000042243734	620581298	/nfs/dbraw/zinc/58/12/98/620581298.db2.gz	MUNNWHSCJISYEL-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)c1	ZINC000899787718	620599698	/nfs/dbraw/zinc/59/96/98/620599698.db2.gz	AIRXTSWWDZXLRS-CJNGLKHVSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899826633	620603894	/nfs/dbraw/zinc/60/38/94/620603894.db2.gz	DOMXAKDOXDYGBR-LBPRGKRZSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c(Cl)c1	ZINC000899843124	620605765	/nfs/dbraw/zinc/60/57/65/620605765.db2.gz	OZOGCKGUAMBMSV-QWRGUYRKSA-N	-1	0	291.734	2.761	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc1	ZINC000899856877	620607073	/nfs/dbraw/zinc/60/70/73/620607073.db2.gz	XDZQCJPGQWRSJT-CYBMUJFWSA-N	-1	0	273.332	2.743	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000901555162	620855295	/nfs/dbraw/zinc/85/52/95/620855295.db2.gz	OSMQDUIWJCGONE-UHFFFAOYSA-N	-1	0	288.347	2.972	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1OCC1CC1	ZINC000901586559	620862349	/nfs/dbraw/zinc/86/23/49/620862349.db2.gz	NRGSYINKFWPIPV-UHFFFAOYSA-N	-1	0	275.348	2.548	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(CSC(F)F)o1	ZINC000901586010	620862505	/nfs/dbraw/zinc/86/25/05/620862505.db2.gz	INZNEGAEWBWPBT-UHFFFAOYSA-N	-1	0	291.319	2.808	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cn(CC)nc1-c1ccccc1	ZINC000901587107	620863286	/nfs/dbraw/zinc/86/32/86/620863286.db2.gz	UNTHSQUBBKMSIR-UHFFFAOYSA-N	-1	0	299.374	2.643	20	30		CFEDRM
C=CCC1(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)CCCC1	ZINC000902071149	620967811	/nfs/dbraw/zinc/96/78/11/620967811.db2.gz	ARULTODLDXWXAD-VURMDHGXSA-N	-1	0	289.331	2.996	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000902089242	620976117	/nfs/dbraw/zinc/97/61/17/620976117.db2.gz	ZRTSHROWQLRUKJ-INIZCTEOSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccccc1F)C(=O)[O-]	ZINC000905016113	621681601	/nfs/dbraw/zinc/68/16/01/621681601.db2.gz	PXQYVYDICHWXHF-LBPRGKRZSA-N	-1	0	280.299	2.757	20	30		CFEDRM
C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CC1(C#N)CCCCC1	ZINC000905274120	621735924	/nfs/dbraw/zinc/73/59/24/621735924.db2.gz	UJXGEHWLWSTNQQ-CHWSQXEVSA-N	-1	0	292.379	2.705	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCc1sccc1C)C(=O)[O-]	ZINC000905512339	621784059	/nfs/dbraw/zinc/78/40/59/621784059.db2.gz	KZRUFRBQNXVJMY-LLVKDONJSA-N	-1	0	296.392	2.665	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000907593532	622140726	/nfs/dbraw/zinc/14/07/26/622140726.db2.gz	QNQXYDKIPJODNL-HIFRSBDPSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000907605164	622142249	/nfs/dbraw/zinc/14/22/49/622142249.db2.gz	WGOHNNJVYADWLT-IAQYHMDHSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000907635961	622144640	/nfs/dbraw/zinc/14/46/40/622144640.db2.gz	RAMLXZAQNZBREW-TYNCELHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1C1(C)CC1)C(=O)[O-]	ZINC000907659349	622148682	/nfs/dbraw/zinc/14/86/82/622148682.db2.gz	BDRLVPOYMBKFNH-AWEZNQCLSA-N	-1	0	287.359	2.887	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000907694178	622153460	/nfs/dbraw/zinc/15/34/60/622153460.db2.gz	QZZWPAZCPHUGLR-OLZOCXBDSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907737799	622154839	/nfs/dbraw/zinc/15/48/39/622154839.db2.gz	YZCJZHNUXVTVAS-GRDNDAEWSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907737800	622154894	/nfs/dbraw/zinc/15/48/94/622154894.db2.gz	YZCJZHNUXVTVAS-JJRVBVJISA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000907730624	622157786	/nfs/dbraw/zinc/15/77/86/622157786.db2.gz	LFMVUJZSMMVVNX-XEZPLFJOSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000907736906	622158256	/nfs/dbraw/zinc/15/82/56/622158256.db2.gz	UPJJWNVUQROITR-RFGFWPKPSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CCC(C)(C)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908086673	622192161	/nfs/dbraw/zinc/19/21/61/622192161.db2.gz	WTUIMWYODRQDGO-UHFFFAOYSA-N	-1	0	275.348	2.879	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)s1	ZINC000833071449	625547351	/nfs/dbraw/zinc/54/73/51/625547351.db2.gz	HBGNODJFTLZDNH-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(F)(F)F	ZINC000908227093	622203981	/nfs/dbraw/zinc/20/39/81/622203981.db2.gz	VTYXTVPUADVKGD-SSDOTTSWSA-N	-1	0	292.207	2.717	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)CCSCC(=O)[O-])c1	ZINC000908245643	622208006	/nfs/dbraw/zinc/20/80/06/622208006.db2.gz	CCWXIPWHKGLOFU-UHFFFAOYSA-N	-1	0	279.361	2.866	20	30		CFEDRM
C#CCCCCC(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908333962	622216745	/nfs/dbraw/zinc/21/67/45/622216745.db2.gz	XNDPRZOWWSSVDI-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
C=C1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1	ZINC000908896201	622285500	/nfs/dbraw/zinc/28/55/00/622285500.db2.gz	RRXRDPHYVFVVII-MRXNPFEDSA-N	-1	0	299.370	2.771	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000909125096	622315896	/nfs/dbraw/zinc/31/58/96/622315896.db2.gz	AHYIBOWZFXOJMM-HNNXBMFYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000909295280	622336568	/nfs/dbraw/zinc/33/65/68/622336568.db2.gz	DPIYICDSOVSJIH-OAHLLOKOSA-N	-1	0	295.310	2.691	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000909298763	622336976	/nfs/dbraw/zinc/33/69/76/622336976.db2.gz	WHQFPHYGUCFYEK-UHFFFAOYSA-N	-1	0	273.332	2.791	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000909684278	622340446	/nfs/dbraw/zinc/34/04/46/622340446.db2.gz	FXGIQIPWBBONCQ-AWEZNQCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000909713808	622344375	/nfs/dbraw/zinc/34/43/75/622344375.db2.gz	SGXINUIQWIWWIO-PBQZMEPESA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1c(C)cccc1Cl)C(=O)[O-]	ZINC000909714472	622344568	/nfs/dbraw/zinc/34/45/68/622344568.db2.gz	XGYBDFWQEPMUHP-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1	ZINC000909739797	622349765	/nfs/dbraw/zinc/34/97/65/622349765.db2.gz	IDZFXBMQURIYFJ-LSDHHAIUSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C1CC(C)(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1	ZINC000909836488	622360261	/nfs/dbraw/zinc/36/02/61/622360261.db2.gz	MOAIQHPFFOITRV-GJZGRUSLSA-N	-1	0	299.370	2.670	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccoc1CC(=O)[O-]	ZINC000909932074	622372546	/nfs/dbraw/zinc/37/25/46/622372546.db2.gz	IKEXPZVUOBSQSK-YPMHNXCESA-N	-1	0	291.347	2.771	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1CC(=O)[O-]	ZINC000909932072	622372880	/nfs/dbraw/zinc/37/28/80/622372880.db2.gz	IKEXPZVUOBSQSK-DGCLKSJQSA-N	-1	0	291.347	2.771	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000909986606	622380544	/nfs/dbraw/zinc/38/05/44/622380544.db2.gz	PVSCFADYBXJEHW-UHFFFAOYSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC000910054261	622392615	/nfs/dbraw/zinc/39/26/15/622392615.db2.gz	LHNFMOPUPBZYCL-ZIAGYGMSSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1cccc(C2CCCC2)c1)C(=O)[O-]	ZINC000910046428	622396718	/nfs/dbraw/zinc/39/67/18/622396718.db2.gz	OXKYEFYLGLCZLP-OAHLLOKOSA-N	-1	0	285.343	2.551	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1	ZINC000910234428	622414491	/nfs/dbraw/zinc/41/44/91/622414491.db2.gz	RKKTYBGQSIFEOA-INIZCTEOSA-N	-1	0	299.370	2.679	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-]	ZINC000910272777	622422575	/nfs/dbraw/zinc/42/25/75/622422575.db2.gz	VTIZBYLKYGTDFP-GXSJLCMTSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910501661	622452639	/nfs/dbraw/zinc/45/26/39/622452639.db2.gz	APDMICCVVXXCGB-KRWDZBQOSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CCCC(C)C)C(=O)[O-]	ZINC000910574732	622455724	/nfs/dbraw/zinc/45/57/24/622455724.db2.gz	IJQCKISFJSFEKP-CYBMUJFWSA-N	-1	0	267.369	2.576	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccsc2)c1	ZINC000044009621	622455936	/nfs/dbraw/zinc/45/59/36/622455936.db2.gz	OGJCOKOYXYFHMH-NTUHNPAUSA-N	-1	0	262.290	2.981	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)OCC	ZINC000910560717	622457932	/nfs/dbraw/zinc/45/79/32/622457932.db2.gz	UCNGCVHJEIDHLA-KGLIPLIRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910648511	622464374	/nfs/dbraw/zinc/46/43/74/622464374.db2.gz	LAJALPBJDWGMIF-UHFFFAOYSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)c1ccccc1	ZINC000910839938	622481585	/nfs/dbraw/zinc/48/15/85/622481585.db2.gz	JPCPTCGHJMRPKV-PWXKEOIMSA-N	-1	0	299.370	2.525	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1CC)C(=O)[O-]	ZINC000910912850	622485585	/nfs/dbraw/zinc/48/55/85/622485585.db2.gz	PDYKYPJGMHETBW-CQSZACIVSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)[C@H](C)CC)C(=O)[O-]	ZINC000910912870	622485709	/nfs/dbraw/zinc/48/57/09/622485709.db2.gz	PLWPTWUVSVXLNO-WOPDTQHZSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc2cc[nH]c21)C(=O)[O-]	ZINC000910913813	622486384	/nfs/dbraw/zinc/48/63/84/622486384.db2.gz	DFNWGFFBXGYQOP-CYBMUJFWSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc2cc[nH]c21)C(=O)[O-]	ZINC000910913814	622486394	/nfs/dbraw/zinc/48/63/94/622486394.db2.gz	DFNWGFFBXGYQOP-ZDUSSCGKSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(CCOC)CCCC1)C(=O)[O-]	ZINC000910913571	622486401	/nfs/dbraw/zinc/48/64/01/622486401.db2.gz	YLRKPAUENQIFQC-ZDUSSCGKSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000910917803	622487208	/nfs/dbraw/zinc/48/72/08/622487208.db2.gz	VPFQZKXVWCZERC-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910925911	622488087	/nfs/dbraw/zinc/48/80/87/622488087.db2.gz	JZQOBVDPPACECW-ZDUSSCGKSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000911339466	622518776	/nfs/dbraw/zinc/51/87/76/622518776.db2.gz	LPZKCEUWXVQEQO-CABCVRRESA-N	-1	0	285.343	2.522	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000911462666	622522736	/nfs/dbraw/zinc/52/27/36/622522736.db2.gz	DBZGEAGOAWIWRI-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1ccccc1C(=O)[O-]	ZINC000819803750	622560147	/nfs/dbraw/zinc/56/01/47/622560147.db2.gz	VRKMSOGTZHRHHX-NSHDSACASA-N	-1	0	250.323	2.678	20	30		CFEDRM
CC[C@H](NN=C1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-]	ZINC000819813770	622561851	/nfs/dbraw/zinc/56/18/51/622561851.db2.gz	SLCGZRFCGCVLAF-NSHDSACASA-N	-1	0	294.326	2.544	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000820257585	622636957	/nfs/dbraw/zinc/63/69/57/622636957.db2.gz	VCINKHVWXTXFAN-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
CC(C)C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])n1ccnc1	ZINC000821349181	622902279	/nfs/dbraw/zinc/90/22/79/622902279.db2.gz	MSRAQNPUCCMRFS-CQSZACIVSA-N	-1	0	298.346	2.686	20	30		CFEDRM
Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000156369070	622937054	/nfs/dbraw/zinc/93/70/54/622937054.db2.gz	GJOJFINWXTZNFQ-AWEZNQCLSA-N	-1	0	288.322	2.515	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1CC=CCC1	ZINC000045099680	622964707	/nfs/dbraw/zinc/96/47/07/622964707.db2.gz	VQIQQUWXYNICLL-GFCCVEGCSA-N	-1	0	297.351	2.968	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC(C)C)c1	ZINC000045097792	622964795	/nfs/dbraw/zinc/96/47/95/622964795.db2.gz	WJBXSUSHZKJJLN-UHFFFAOYSA-N	-1	0	283.349	2.581	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccco1	ZINC000046927883	623104921	/nfs/dbraw/zinc/10/49/21/623104921.db2.gz	RRJYAWOFFHXOSR-CMDGGOBGSA-N	-1	0	291.328	2.947	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)o1	ZINC000046929865	623105414	/nfs/dbraw/zinc/10/54/14/623105414.db2.gz	SSWCWEHXCCYVSQ-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
N#Cc1ccccc1SCC(=O)[N-]OCc1ccccc1	ZINC000172682528	623299088	/nfs/dbraw/zinc/29/90/88/623299088.db2.gz	MHPLPRKIIFEHEB-UHFFFAOYSA-N	-1	0	298.367	2.898	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000062933451	623307180	/nfs/dbraw/zinc/30/71/80/623307180.db2.gz	NLBCXFSOMDSACP-ZDUSSCGKSA-N	-1	0	298.264	2.878	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000823505670	623336045	/nfs/dbraw/zinc/33/60/45/623336045.db2.gz	DYAZWOXIBPSCGY-JTQLQIEISA-N	-1	0	279.286	2.546	20	30		CFEDRM
CCCCCCCCOCC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000823840836	623403494	/nfs/dbraw/zinc/40/34/94/623403494.db2.gz	BWHBMGBDAFMCHN-INIZCTEOSA-N	-1	0	299.411	2.687	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2	ZINC000824033619	623437463	/nfs/dbraw/zinc/43/74/63/623437463.db2.gz	QGDPRXFZUQADLL-GHMZBOCLSA-N	-1	0	290.363	2.538	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(Cl)ccc1C	ZINC000824232758	623473151	/nfs/dbraw/zinc/47/31/51/623473151.db2.gz	MQZFUJCBAFVRQN-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Nc1cccnc1Cl	ZINC000824232434	623473708	/nfs/dbraw/zinc/47/37/08/623473708.db2.gz	JCGPHIBCUZERRG-VHSXEESVSA-N	-1	0	283.759	2.548	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814906007	623482646	/nfs/dbraw/zinc/48/26/46/623482646.db2.gz	BWOCYINUVQBBEB-ZWNOBZJWSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNC12CC(C1)C2	ZINC000842543024	623490498	/nfs/dbraw/zinc/49/04/98/623490498.db2.gz	BIWVQIMIBGXZDG-UHFFFAOYSA-N	-1	0	252.358	2.930	20	30		CFEDRM
C[C@@H]1CC(=NOCCC(F)(F)F)CC[C@@H]1C(=O)[O-]	ZINC000814910293	623695611	/nfs/dbraw/zinc/69/56/11/623695611.db2.gz	SJYPKHWWPFEOGH-APPZFPTMSA-N	-1	0	267.247	2.832	20	30		CFEDRM
C=CCCO[N-]C(=O)c1cc2c([nH]c1=O)CC[C@H](CC)C2	ZINC000825565800	623716775	/nfs/dbraw/zinc/71/67/75/623716775.db2.gz	KTFMUJPYGCAQTF-NSHDSACASA-N	-1	0	290.363	2.540	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000826965771	623915581	/nfs/dbraw/zinc/91/55/81/623915581.db2.gz	AZXJJQRIKCIJQY-KOLCDFICSA-N	-1	0	290.344	2.646	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCC1	ZINC000262353909	623915813	/nfs/dbraw/zinc/91/58/13/623915813.db2.gz	FNPVMNQVENDENM-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(Cl)nc2)n1	ZINC000915100340	623981880	/nfs/dbraw/zinc/98/18/80/623981880.db2.gz	UOIHMPZOIYFLLM-SECBINFHSA-N	-1	0	277.736	2.990	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2nncc3ccccc32)cc1	ZINC000915909138	624187119	/nfs/dbraw/zinc/18/71/19/624187119.db2.gz	BUVSLXRGYWVJAF-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc(F)cc2)cc1	ZINC000916240396	624230268	/nfs/dbraw/zinc/23/02/68/624230268.db2.gz	AZQJRSOYKWITCF-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
CC(=Nn1cnnc1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1	ZINC000916606560	624262647	/nfs/dbraw/zinc/26/26/47/624262647.db2.gz	RYQVJHQEDDTQFJ-UHFFFAOYSA-N	-1	0	296.286	2.509	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000916918447	624292037	/nfs/dbraw/zinc/29/20/37/624292037.db2.gz	MIAQGPCALODKRR-NSHDSACASA-N	-1	0	297.141	2.618	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)n(C)n1	ZINC000917516793	624350782	/nfs/dbraw/zinc/35/07/82/624350782.db2.gz	FTWSSQRUMJAMAS-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ncccc2Cl)c1	ZINC000917549619	624358622	/nfs/dbraw/zinc/35/86/22/624358622.db2.gz	WVLLHWYRQBZAFO-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
Fc1ccc(C(=NNc2[n-]cnc3ncnc2-3)C2CC2)cc1	ZINC000917555271	624359455	/nfs/dbraw/zinc/35/94/55/624359455.db2.gz	IIKCJCQFXDBZBH-UHFFFAOYSA-N	-1	0	296.309	2.718	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2sccc2s1	ZINC000918486472	624440240	/nfs/dbraw/zinc/44/02/40/624440240.db2.gz	IKWUXZKIFFZRKJ-MRVPVSSYSA-N	-1	0	290.369	2.587	20	30		CFEDRM
C=CC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-]	ZINC000155048142	624595771	/nfs/dbraw/zinc/59/57/71/624595771.db2.gz	PAQORXIMUGATME-UHFFFAOYSA-N	-1	0	297.354	2.947	20	30		CFEDRM
O=C([O-])COc1ccc(C=NNc2cccc(F)c2)cc1	ZINC000920384617	624717165	/nfs/dbraw/zinc/71/71/65/624717165.db2.gz	ZMWOOVQKDWEYCH-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(F)c1	ZINC000175419316	624951956	/nfs/dbraw/zinc/95/19/56/624951956.db2.gz	APIZROYQYKFGIF-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
COc1ccc(F)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179728228	624975328	/nfs/dbraw/zinc/97/53/28/624975328.db2.gz	WUBJVMMURKGGDA-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)CC)c1ccccc1	ZINC000181966143	625241392	/nfs/dbraw/zinc/24/13/92/625241392.db2.gz	FJSQVGBZGMVQFD-QWHCGFSZSA-N	-1	0	295.404	2.591	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1	ZINC000851615609	634456128	/nfs/dbraw/zinc/45/61/28/634456128.db2.gz	DUCYKJKLCZFJRS-ZVTBTPLYSA-N	-1	0	289.331	2.806	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC000851601242	634451421	/nfs/dbraw/zinc/45/14/21/634451421.db2.gz	JSNDHXBXCRLVKF-CZUORRHYSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1	ZINC000851602965	634452751	/nfs/dbraw/zinc/45/27/51/634452751.db2.gz	FILZWFDZPUCMIX-LSDHHAIUSA-N	-1	0	287.359	2.506	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](C2CCC2)CC1	ZINC000851603449	634453253	/nfs/dbraw/zinc/45/32/53/634453253.db2.gz	RGMIFBAXWGPCEW-HDJSIYSDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000851626102	634461217	/nfs/dbraw/zinc/46/12/17/634461217.db2.gz	GHTHEHHFSJGNBK-VQHVLOKHSA-N	-1	0	277.320	2.852	20	30		CFEDRM
CO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C12CCC2	ZINC000834913365	625920747	/nfs/dbraw/zinc/92/07/47/625920747.db2.gz	YIFHPZMGAMTEES-ZDUSSCGKSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834934143	625926400	/nfs/dbraw/zinc/92/64/00/625926400.db2.gz	BWMWNKVILXFZIA-CYBMUJFWSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CC[C@H](NN=Cc1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000834981267	625944609	/nfs/dbraw/zinc/94/46/09/625944609.db2.gz	LHVJDOLGVXWMQJ-LURJTMIESA-N	-1	0	281.164	2.842	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2ccccc2c(OC)c1)C(=O)[O-]	ZINC000834981354	625944873	/nfs/dbraw/zinc/94/48/73/625944873.db2.gz	NEVQSRZUOURXLW-CQSZACIVSA-N	-1	0	286.331	2.635	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F	ZINC000834997746	625948186	/nfs/dbraw/zinc/94/81/86/625948186.db2.gz	IZCFNPXSVPSSLD-ZCFIWIBFSA-N	-1	0	294.660	2.913	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCOCC3)cn1	ZINC000835010358	625956932	/nfs/dbraw/zinc/95/69/32/625956932.db2.gz	YNYXIGGHPYKKDV-UHFFFAOYSA-N	-1	0	289.335	2.528	20	30		CFEDRM
COC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010110	625957033	/nfs/dbraw/zinc/95/70/33/625957033.db2.gz	OTLCOKCXAFHQPL-MRVPVSSYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000835010879	625958202	/nfs/dbraw/zinc/95/82/02/625958202.db2.gz	JWOOPLFXNVGSGH-QWRGUYRKSA-N	-1	0	278.327	2.792	20	30		CFEDRM
COCCCC(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012452	625958555	/nfs/dbraw/zinc/95/85/55/625958555.db2.gz	QEMWBUDEEAUIJD-UHFFFAOYSA-N	-1	0	268.288	2.738	20	30		CFEDRM
CO[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012476	625958714	/nfs/dbraw/zinc/95/87/14/625958714.db2.gz	QONDUOBSGNZTEB-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC1(C)OCC[C@H]1NN=Cc1cc(Cl)cc(F)c1[O-]	ZINC000835016616	625962210	/nfs/dbraw/zinc/96/22/10/625962210.db2.gz	MDCKKEFTGTUFLT-LLVKDONJSA-N	-1	0	286.734	2.676	20	30		CFEDRM
CC(=NN[C@H]1CCOC1(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000835020705	625966484	/nfs/dbraw/zinc/96/64/84/625966484.db2.gz	JVKNCKLHCXPTDE-AAEUAGOBSA-N	-1	0	284.400	2.801	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791521	625997535	/nfs/dbraw/zinc/99/75/35/625997535.db2.gz	UQXKHJXMWLIBBD-PSASIEDQSA-N	-1	0	287.768	2.782	20	30		CFEDRM
CC(C)c1nccnc1N=NCc1cc(C(=O)[O-])cs1	ZINC000773086234	626100618	/nfs/dbraw/zinc/10/06/18/626100618.db2.gz	PBURFEPOLKMIHP-UHFFFAOYSA-N	-1	0	290.348	2.806	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)s1	ZINC000073838326	626396101	/nfs/dbraw/zinc/39/61/01/626396101.db2.gz	BDKJNQBSONTSMJ-UHFFFAOYSA-N	-1	0	275.395	2.880	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CC[C@H]1CCCCO1	ZINC000073838082	626396172	/nfs/dbraw/zinc/39/61/72/626396172.db2.gz	CSDMKKYRPVADRA-LLVKDONJSA-N	-1	0	291.413	2.811	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2cc(F)c([O-])c(F)c2)c1	ZINC000186779100	626398961	/nfs/dbraw/zinc/39/89/61/626398961.db2.gz	UCHRSHNDEKWNEO-UHFFFAOYSA-N	-1	0	287.265	2.928	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000923057841	626448075	/nfs/dbraw/zinc/44/80/75/626448075.db2.gz	IVBQCYIFZJDHOM-AJHXJQRKSA-N	-1	0	272.304	2.663	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(C#N)CCC1	ZINC000923074787	626449039	/nfs/dbraw/zinc/44/90/39/626449039.db2.gz	FRJVYIWWLUCDQS-UHFFFAOYSA-N	-1	0	272.304	2.634	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000923080685	626449373	/nfs/dbraw/zinc/44/93/73/626449373.db2.gz	HICHBGBINDMDRA-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000923084015	626449690	/nfs/dbraw/zinc/44/96/90/626449690.db2.gz	VOERYICZFMKKLR-MEBBXXQBSA-N	-1	0	274.320	2.753	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CC3(CC3)C2)cc(C(=O)[O-])c1	ZINC000923105715	626451556	/nfs/dbraw/zinc/45/15/56/626451556.db2.gz	DIRCTHFLNASHSS-UHFFFAOYSA-N	-1	0	284.315	2.716	20	30		CFEDRM
C=C1CCC(C(=O)NCCc2ccccc2C(=O)[O-])CC1	ZINC000923123588	626452219	/nfs/dbraw/zinc/45/22/19/626452219.db2.gz	CSSUNRBAKMIFNL-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@](C)(CC(C)C)C(=O)[O-])CC1	ZINC000923188938	626455729	/nfs/dbraw/zinc/45/57/29/626455729.db2.gz	UZOKBNFGNXGLCB-INIZCTEOSA-N	-1	0	281.396	2.986	20	30		CFEDRM
N#CC(=C([O-])C=C[C@@H]1CCCO1)c1nc(C2CC2)cs1	ZINC000842942133	626522973	/nfs/dbraw/zinc/52/29/73/626522973.db2.gz	GJFDHDYPJIVIIB-ABZJQCSKSA-N	-1	0	288.372	2.932	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cscn2)cc1	ZINC000103330102	626531276	/nfs/dbraw/zinc/53/12/76/626531276.db2.gz	FAEMHKXWWSCCJF-GFCCVEGCSA-N	-1	0	299.355	2.667	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCc2ccccc2)cc1	ZINC000839418932	626535847	/nfs/dbraw/zinc/53/58/47/626535847.db2.gz	HRMCSTSZFPFFCQ-UHFFFAOYSA-N	-1	0	255.273	2.936	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOCC(F)F)c2ccccc21	ZINC000789051840	626539016	/nfs/dbraw/zinc/53/90/16/626539016.db2.gz	XXNYSKQTLCFZFY-SNVBAGLBSA-N	-1	0	269.247	2.634	20	30		CFEDRM
CC(=NNc1ccccn1)c1ccccc1C(=O)[O-]	ZINC000757459625	626552517	/nfs/dbraw/zinc/55/25/17/626552517.db2.gz	JWQJGUHAZDAQJS-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1ccccc1C(=O)[O-]	ZINC000757464670	626552843	/nfs/dbraw/zinc/55/28/43/626552843.db2.gz	DXFIHZCHJWCZLI-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])nn1	ZINC000757471316	626553111	/nfs/dbraw/zinc/55/31/11/626553111.db2.gz	AVBWCVDATCAMQE-VQHVLOKHSA-N	-1	0	279.299	2.570	20	30		CFEDRM
[O-]c1cc(Cl)c(CN=Nc2cccnn2)cc1Cl	ZINC000758110351	626576807	/nfs/dbraw/zinc/57/68/07/626576807.db2.gz	NSBMFOMYKWFEQY-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758119381	626577600	/nfs/dbraw/zinc/57/76/00/626577600.db2.gz	XDVABNQOBHFCRU-UHFFFAOYSA-N	-1	0	286.291	2.840	20	30		CFEDRM
C#CCCCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000758363948	626589932	/nfs/dbraw/zinc/58/99/32/626589932.db2.gz	FATRZASZMQOFME-QGZVFWFLSA-N	-1	0	293.407	2.967	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC(F)F)CCC2	ZINC000758904815	626616697	/nfs/dbraw/zinc/61/66/97/626616697.db2.gz	YAQKMUJLGMNVFS-UHFFFAOYSA-N	-1	0	273.235	2.608	20	30		CFEDRM
O=C(/C=C/c1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759088588	626627641	/nfs/dbraw/zinc/62/76/41/626627641.db2.gz	BYRKYNQIPFAYOH-GQCTYLIASA-N	-1	0	285.255	2.902	20	30		CFEDRM
N#Cc1cnc(NC(=O)c2ccc([O-])c(Cl)c2)s1	ZINC000759625699	626677279	/nfs/dbraw/zinc/67/72/79/626677279.db2.gz	DOEJAPBIHFXPKE-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
CCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000760218704	626720952	/nfs/dbraw/zinc/72/09/52/626720952.db2.gz	PDBHRWAZWDVYNY-UHFFFAOYSA-N	-1	0	258.277	2.986	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1	ZINC000760228409	626721887	/nfs/dbraw/zinc/72/18/87/626721887.db2.gz	HDYDEVVQKVHZGJ-HVIDBACLSA-N	-1	0	259.265	2.809	20	30		CFEDRM
CCCC[C@H](CC)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000760249980	626724366	/nfs/dbraw/zinc/72/43/66/626724366.db2.gz	OOSMMXRVBOALKH-NSHDSACASA-N	-1	0	282.413	2.676	20	30		CFEDRM
C[C@@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1	ZINC000761206090	626815989	/nfs/dbraw/zinc/81/59/89/626815989.db2.gz	NGZAZYOVHGWXKL-SROOVFNMSA-N	-1	0	295.298	2.636	20	30		CFEDRM
C#CCCc1noc(-c2cccc(Br)c2[O-])n1	ZINC000762014762	626880793	/nfs/dbraw/zinc/88/07/93/626880793.db2.gz	RRONIJNVIFIEHI-UHFFFAOYSA-N	-1	0	293.120	2.771	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)cc1	ZINC000762020192	626881783	/nfs/dbraw/zinc/88/17/83/626881783.db2.gz	DPZGDBBEMYDHIW-UHFFFAOYSA-N	-1	0	295.766	2.762	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c[nH]c3cccc(F)c23)nc1	ZINC000763368412	626982863	/nfs/dbraw/zinc/98/28/63/626982863.db2.gz	LAAZNJITNDMFAZ-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)C12CCC2	ZINC000763369952	626983412	/nfs/dbraw/zinc/98/34/12/626983412.db2.gz	ZXULGEMMXVCYME-LBPRGKRZSA-N	-1	0	289.335	2.527	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCc3ccccc32)nc1	ZINC000763369999	626983535	/nfs/dbraw/zinc/98/35/35/626983535.db2.gz	KSRWTMAMZFGIIL-LBPRGKRZSA-N	-1	0	281.315	2.908	20	30		CFEDRM
COc1ccccc1CC=CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763371451	626983641	/nfs/dbraw/zinc/98/36/41/626983641.db2.gz	AOWXJJZYWWRSFU-AMQSJSHASA-N	-1	0	297.314	2.900	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2c(F)cccc2F)nc1	ZINC000763370495	626983752	/nfs/dbraw/zinc/98/37/52/626983752.db2.gz	QRQOPFFLFOYUCI-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
Cc1cc(C)cc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763370287	626983819	/nfs/dbraw/zinc/98/38/19/626983819.db2.gz	QILTUUTUMXDJFM-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)c1	ZINC000763372348	626984162	/nfs/dbraw/zinc/98/41/62/626984162.db2.gz	WPHNAUCZMFFBRC-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
Cc1ccccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763377426	626984246	/nfs/dbraw/zinc/98/42/46/626984246.db2.gz	OFMXEUIESBTNOH-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CCc1cnccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000765583524	627148831	/nfs/dbraw/zinc/14/88/31/627148831.db2.gz	HERJRGDQXHSKRS-UHFFFAOYSA-N	-1	0	284.319	2.573	20	30		CFEDRM
COC(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1	ZINC000765992356	627169864	/nfs/dbraw/zinc/16/98/64/627169864.db2.gz	JYWCZUJBNUHDOG-UHFFFAOYSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CC1(C=Nn2c(=O)c3ccccc3[n-]c2=S)CCC1	ZINC000766002377	627170254	/nfs/dbraw/zinc/17/02/54/627170254.db2.gz	OBNNSFAOOAPFRI-UHFFFAOYSA-N	-1	0	273.361	2.709	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2[O-])nn1	ZINC000766034816	627173115	/nfs/dbraw/zinc/17/31/15/627173115.db2.gz	SLNKMWYKCIXMGI-NSCUHMNNSA-N	-1	0	298.129	2.724	20	30		CFEDRM
CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000767100372	627235054	/nfs/dbraw/zinc/23/50/54/627235054.db2.gz	AMZDELKMAZCIGC-UHNVWZDZSA-N	-1	0	283.187	2.980	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc2ccsc21	ZINC000767961751	627298008	/nfs/dbraw/zinc/29/80/08/627298008.db2.gz	ZZXMLIVNHMLMTL-LBPRGKRZSA-N	-1	0	284.340	2.502	20	30		CFEDRM
C=C(Cl)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000769707811	627467889	/nfs/dbraw/zinc/46/78/89/627467889.db2.gz	KJTHQMYABDSAJI-UHFFFAOYSA-N	-1	0	264.083	2.667	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCC(F)(F)F)c(Cl)c1	ZINC000769825650	627479609	/nfs/dbraw/zinc/47/96/09/627479609.db2.gz	UPAAIQUKRSJPCQ-UHFFFAOYSA-N	-1	0	280.633	2.524	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc2cc(C)c(C)cc12	ZINC000770846447	627551164	/nfs/dbraw/zinc/55/11/64/627551164.db2.gz	JBIWBWHTIOJGAG-ZDUSSCGKSA-N	-1	0	296.326	2.674	20	30		CFEDRM
C[C@H](CC#N)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000771879514	627641180	/nfs/dbraw/zinc/64/11/80/627641180.db2.gz	AZYFNDWDWKNWHZ-SSDOTTSWSA-N	-1	0	272.135	2.925	20	30		CFEDRM
CC(=NN=c1cc(C)cc[nH]1)c1ccc(C(=O)[O-])o1	ZINC000773058168	627775701	/nfs/dbraw/zinc/77/57/01/627775701.db2.gz	KWCKUACNKWKEEV-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1sccc1[O-]	ZINC000773143129	627788056	/nfs/dbraw/zinc/78/80/56/627788056.db2.gz	MVMBKFXBGGMKOX-SREVYHEPSA-N	-1	0	297.339	2.931	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cccc(C(=O)[O-])c1	ZINC000773161546	627790948	/nfs/dbraw/zinc/79/09/48/627790948.db2.gz	QWAJRVZZACGZFQ-AUWJEWJLSA-N	-1	0	290.278	2.749	20	30		CFEDRM
CO[C@@H]1CCC[C@@H]1C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000774543021	627936431	/nfs/dbraw/zinc/93/64/31/627936431.db2.gz	UEZHPRNPTFBOFA-RMLXMOABSA-N	-1	0	278.308	2.534	20	30		CFEDRM
COc1cc(C(C)=NOC2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000774602489	627941185	/nfs/dbraw/zinc/94/11/85/627941185.db2.gz	KQJWEDGRYGAIOD-UHFFFAOYSA-N	-1	0	294.307	2.992	20	30		CFEDRM
CCCCCCCC[C@@H](C)CC(=O)[N-]S(C)(=O)=O	ZINC000774639056	627944208	/nfs/dbraw/zinc/94/42/08/627944208.db2.gz	ICCXCOSVSLABJL-GFCCVEGCSA-N	-1	0	277.430	2.839	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)[N-]OC2CCCC2)cc1	ZINC000775598439	628044001	/nfs/dbraw/zinc/04/40/01/628044001.db2.gz	JPPOQZVDUUTZIV-INIZCTEOSA-N	-1	0	299.374	2.517	20	30		CFEDRM
COC(=O)c1ccccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000776190091	628114628	/nfs/dbraw/zinc/11/46/28/628114628.db2.gz	YRGNPDAHGWFTAB-UHFFFAOYSA-N	-1	0	298.298	2.617	20	30		CFEDRM
O=C([O-])c1cc(C=NOCc2ccccc2)ccc1O	ZINC000777431708	628224828	/nfs/dbraw/zinc/22/48/28/628224828.db2.gz	AZZCBTGAMDZWBQ-UHFFFAOYSA-N	-1	0	271.272	2.641	20	30		CFEDRM
COC[C@@H](C)NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000777901090	628263019	/nfs/dbraw/zinc/26/30/19/628263019.db2.gz	IHUWIADNRUEEAG-SSDOTTSWSA-N	-1	0	277.151	2.657	20	30		CFEDRM
N#CC1(C(=O)[N-]OC2CCCCC2)CCCCC1	ZINC000779316289	628372746	/nfs/dbraw/zinc/37/27/46/628372746.db2.gz	AKOWXYURTGTUED-UHFFFAOYSA-N	-1	0	250.342	2.841	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1	ZINC000779708715	628394735	/nfs/dbraw/zinc/39/47/35/628394735.db2.gz	YJHGEKODJMVSTN-AVVOLDSFSA-N	-1	0	278.308	2.534	20	30		CFEDRM
Cc1nnc(N=NCC2(C)CCCCCC2)[n-]c1=O	ZINC000779759558	628400476	/nfs/dbraw/zinc/40/04/76/628400476.db2.gz	HFJYHAFGEUIKLC-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
CC1(C)C[C@H](NN=Cc2cc(F)c([O-])c(F)c2)CCO1	ZINC000780246866	628444337	/nfs/dbraw/zinc/44/43/37/628444337.db2.gz	LRGGOJJTMYIYKD-SNVBAGLBSA-N	-1	0	284.306	2.552	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N(CC)CC(=O)[O-])c1ccccc1	ZINC000780689419	628487487	/nfs/dbraw/zinc/48/74/87/628487487.db2.gz	GDJAXQWMDQVKMV-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000780690450	628487523	/nfs/dbraw/zinc/48/75/23/628487523.db2.gz	VGUOSWTYZVSPHX-ZIAGYGMSSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCSC2)cc1	ZINC000782099496	628604247	/nfs/dbraw/zinc/60/42/47/628604247.db2.gz	YWESFJDPNZSLLA-SECBINFHSA-N	-1	0	250.323	2.536	20	30		CFEDRM
Cc1nnc(N=NCCc2ccc(C(C)(C)C)cc2)[n-]c1=O	ZINC000782149389	628607971	/nfs/dbraw/zinc/60/79/71/628607971.db2.gz	CDSIMEAWKSSZDE-UHFFFAOYSA-N	-1	0	299.378	2.824	20	30		CFEDRM
CON=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000783824332	628748105	/nfs/dbraw/zinc/74/81/05/628748105.db2.gz	QJMIKJRCQWNODD-UHFFFAOYSA-N	-1	0	262.078	2.664	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC2CCCC2)c(Cl)c1	ZINC000783840240	628749142	/nfs/dbraw/zinc/74/91/42/628749142.db2.gz	YLOJIRPOOSLBOZ-UHFFFAOYSA-N	-1	0	266.728	2.904	20	30		CFEDRM
CC(CCC(F)(F)F)N=Nc1ccc(C(=O)[O-])cn1	ZINC000783861759	628750889	/nfs/dbraw/zinc/75/08/89/628750889.db2.gz	HEACAMZNMADBIK-UHFFFAOYSA-N	-1	0	275.230	2.910	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784830670	628844419	/nfs/dbraw/zinc/84/44/19/628844419.db2.gz	AVXVOYJTWZMBFS-ZDUSSCGKSA-N	-1	0	294.310	2.571	20	30		CFEDRM
C=CCCCCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000784974815	628857715	/nfs/dbraw/zinc/85/77/15/628857715.db2.gz	UYGAQHUTXIEFDA-UHFFFAOYSA-N	-1	0	295.301	2.733	20	30		CFEDRM
Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)sn1	ZINC000785452017	628884029	/nfs/dbraw/zinc/88/40/29/628884029.db2.gz	SPEUNGBPVIINPI-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
CCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(O)c1	ZINC000787155653	628996751	/nfs/dbraw/zinc/99/67/51/628996751.db2.gz	SPIMYAATJRWXEU-UHFFFAOYSA-N	-1	0	282.299	2.784	20	30		CFEDRM
CC(=NN=C(C)c1cc(C(=O)[O-])ccc1C)c1cnccn1	ZINC000788434726	629066165	/nfs/dbraw/zinc/06/61/65/629066165.db2.gz	VHHCPLCPMJGSJA-UHFFFAOYSA-N	-1	0	296.330	2.716	20	30		CFEDRM
Cc1ccc2nc(C=NNc3ccc(C(=O)[O-])cc3)cn2c1	ZINC000788933239	629109512	/nfs/dbraw/zinc/10/95/12/629109512.db2.gz	UGZXLXWRKJIAEF-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NCC(C(C)C)C(C)C)n1	ZINC000788928536	629109874	/nfs/dbraw/zinc/10/98/74/629109874.db2.gz	KUPZMEIRPXHNRV-UHFFFAOYSA-N	-1	0	250.346	2.817	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NO[C@H]2CCCCO2)c2ccccc21	ZINC000789035140	629119273	/nfs/dbraw/zinc/11/92/73/629119273.db2.gz	XVCNSYGYSQJRHF-HIFRSBDPSA-N	-1	0	289.331	2.896	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1cccc(Cl)c1[O-]	ZINC000791742869	629351903	/nfs/dbraw/zinc/35/19/03/629351903.db2.gz	MEIIWFAGGNOHKE-VIFPVBQESA-N	-1	0	251.713	2.577	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC000793057218	629480718	/nfs/dbraw/zinc/48/07/18/629480718.db2.gz	MSOYJGFVNMYARB-CYBMUJFWSA-N	-1	0	272.304	2.733	20	30		CFEDRM
CCSc1cccc(C=NN[C@@H](CC)C(=O)[O-])c1	ZINC000793055291	629480762	/nfs/dbraw/zinc/48/07/62/629480762.db2.gz	LDWSRBSUMBTYSH-LBPRGKRZSA-N	-1	0	266.366	2.585	20	30		CFEDRM
CC[C@@H](NN=C1CCCc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793058350	629481444	/nfs/dbraw/zinc/48/14/44/629481444.db2.gz	TWYOLFRWLSUFSB-GFCCVEGCSA-N	-1	0	280.755	2.833	20	30		CFEDRM
CCC(Cc1cccs1)=NN[C@H](CC)C(=O)[O-]	ZINC000793057725	629481569	/nfs/dbraw/zinc/48/15/69/629481569.db2.gz	PVPFTLHDJHHOJD-LLVKDONJSA-N	-1	0	254.355	2.509	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)C(=NN[C@@H](CC)C(=O)[O-])C1	ZINC000793070547	629482360	/nfs/dbraw/zinc/48/23/60/629482360.db2.gz	CIIXTXKBFBWLRD-RYUDHWBXSA-N	-1	0	250.342	2.728	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-]	ZINC000793071897	629482784	/nfs/dbraw/zinc/48/27/84/629482784.db2.gz	MTPGCOHTYZPLIW-OLZOCXBDSA-N	-1	0	278.327	2.902	20	30		CFEDRM
CCOc1c(Cl)cccc1C=NN[C@H](CC)C(=O)[O-]	ZINC000793071902	629482953	/nfs/dbraw/zinc/48/29/53/629482953.db2.gz	MWFPQGSQJGHQPR-LLVKDONJSA-N	-1	0	284.743	2.525	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793072658	629483066	/nfs/dbraw/zinc/48/30/66/629483066.db2.gz	UJJPFNLYYIGVJC-LLVKDONJSA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Br)c(C)c1)C(=O)[O-]	ZINC000793072054	629483072	/nfs/dbraw/zinc/48/30/72/629483072.db2.gz	LNFRVSDGNPMGBZ-LLVKDONJSA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=Cc1csc(-c2cccs2)n1)C(=O)[O-]	ZINC000793071538	629483076	/nfs/dbraw/zinc/48/30/76/629483076.db2.gz	LFJDWUFMKJEKMA-SECBINFHSA-N	-1	0	295.389	2.658	20	30		CFEDRM
CC[C@@H](NN=C(Cc1ccccc1OC)C(C)C)C(=O)[O-]	ZINC000793073273	629483566	/nfs/dbraw/zinc/48/35/66/629483566.db2.gz	RHPOOLCXSHNLOU-CYBMUJFWSA-N	-1	0	292.379	2.703	20	30		CFEDRM
CC[C@@H](NN=C(CC1CC1)c1ccccc1)C(=O)[O-]	ZINC000793073477	629483823	/nfs/dbraw/zinc/48/38/23/629483823.db2.gz	WGTKVQRUEBQYRB-CYBMUJFWSA-N	-1	0	260.337	2.644	20	30		CFEDRM
CC[C@@H](NN=C(Cc1ccccc1)C(F)(F)F)C(=O)[O-]	ZINC000793079347	629484111	/nfs/dbraw/zinc/48/41/11/629484111.db2.gz	RHZYPYKENVOCAC-SNVBAGLBSA-N	-1	0	288.269	2.600	20	30		CFEDRM
CC[C@@H](NN=C1CCC(C(F)(F)F)CC1)C(=O)[O-]	ZINC000793077772	629484282	/nfs/dbraw/zinc/48/42/82/629484282.db2.gz	IFCBTAOCUVDPNB-NHSZFOGYSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CCCCOc1ccc(C=NN[C@H](CC)C(=O)[O-])cc1	ZINC000793080663	629485286	/nfs/dbraw/zinc/48/52/86/629485286.db2.gz	CIHCHOCXFYOHHB-CQSZACIVSA-N	-1	0	278.352	2.652	20	30		CFEDRM
Cc1[nH]c(C=NNCC2(C)CCCC2)cc1C(=O)[O-]	ZINC000793080499	629485241	/nfs/dbraw/zinc/48/52/41/629485241.db2.gz	AVOQCMOHXXISQJ-UHFFFAOYSA-N	-1	0	263.341	2.525	20	30		CFEDRM
C[C@H](NN=Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000793111505	629488033	/nfs/dbraw/zinc/48/80/33/629488033.db2.gz	IGXZPWNSTXAZQT-VIFPVBQESA-N	-1	0	265.313	2.659	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cccc(OCCC(=O)[O-])c1	ZINC000793160675	629495284	/nfs/dbraw/zinc/49/52/84/629495284.db2.gz	WNJRZAZPBXRVNC-GFCCVEGCSA-N	-1	0	279.336	2.937	20	30		CFEDRM
CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000835234507	629546317	/nfs/dbraw/zinc/54/63/17/629546317.db2.gz	CFUXLBHXZISPAT-JHJVBQTASA-N	-1	0	287.363	2.528	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000102008423	629613408	/nfs/dbraw/zinc/61/34/08/629613408.db2.gz	NJIYXAMLJYXSKJ-GFCCVEGCSA-N	-1	0	257.374	2.962	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNCCC(F)(F)F	ZINC000794553760	629660739	/nfs/dbraw/zinc/66/07/39/629660739.db2.gz	YOPFPQUKZJMEND-UHFFFAOYSA-N	-1	0	266.650	2.922	20	30		CFEDRM
CSCCON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000794577505	629664627	/nfs/dbraw/zinc/66/46/27/629664627.db2.gz	VLICEGGUWGNBNA-UHFFFAOYSA-N	-1	0	290.728	2.667	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccnc(F)c1	ZINC000794718594	629679510	/nfs/dbraw/zinc/67/95/10/629679510.db2.gz	BTTJFBHYSMFEBL-DUXPYHPUSA-N	-1	0	288.234	2.731	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(CC(C)C)c1	ZINC000794871752	629698182	/nfs/dbraw/zinc/69/81/82/629698182.db2.gz	OEAGFUVTUYIWDI-UHFFFAOYSA-N	-1	0	299.378	2.920	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccnc(F)c1	ZINC000794887936	629699692	/nfs/dbraw/zinc/69/96/92/629699692.db2.gz	LLEKWWKUJOYPAI-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1cccc(C)c1	ZINC000794902393	629701621	/nfs/dbraw/zinc/70/16/21/629701621.db2.gz	WYFPRRLDWRPYQR-UHFFFAOYSA-N	-1	0	280.335	2.888	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1ccc(C(=O)[O-])cc1	ZINC000795009636	629724070	/nfs/dbraw/zinc/72/40/70/629724070.db2.gz	FWWVKOKOEPLVSA-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CCc1occc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000797748118	630098522	/nfs/dbraw/zinc/09/85/22/630098522.db2.gz	HBJSNFWAPIRNAH-UHFFFAOYSA-N	-1	0	256.261	2.672	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@@H](CCCCC)C(=O)[O-])c1	ZINC000797736710	630098904	/nfs/dbraw/zinc/09/89/04/630098904.db2.gz	BLWCXOMKEOGXFL-AWEZNQCLSA-N	-1	0	288.347	2.823	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cccc(Br)c1[O-])C(C)C	ZINC000799047274	630270738	/nfs/dbraw/zinc/27/07/38/630270738.db2.gz	ZVTOWDITSIUMPF-LLVKDONJSA-N	-1	0	296.164	2.542	20	30		CFEDRM
COc1ccccc1CON=C(C)c1ccc(C(=O)[O-])o1	ZINC000799118528	630277814	/nfs/dbraw/zinc/27/78/14/630277814.db2.gz	KHLRGYAHACRNAV-UHFFFAOYSA-N	-1	0	289.287	2.927	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cnoc1C	ZINC000799482131	630313544	/nfs/dbraw/zinc/31/35/44/630313544.db2.gz	IVZSBELQHJSSAP-UHFFFAOYSA-N	-1	0	289.291	2.526	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(F)cc2C)cc1C(=O)[O-]	ZINC000800814629	630407685	/nfs/dbraw/zinc/40/76/85/630407685.db2.gz	SIUIZQZSGFJKBD-UHFFFAOYSA-N	-1	0	275.283	2.915	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2sccc2C)CCC1	ZINC000802866471	630558318	/nfs/dbraw/zinc/55/83/18/630558318.db2.gz	JWRAIIHZMAMYIS-UHFFFAOYSA-N	-1	0	299.417	2.608	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1csc2ccccc21	ZINC000803031018	630579509	/nfs/dbraw/zinc/57/95/09/630579509.db2.gz	IHSFWXOFZCGMCT-UHFFFAOYSA-N	-1	0	295.385	2.672	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C\c2cocn2)C(=O)c2ccccc21	ZINC000806560244	630812479	/nfs/dbraw/zinc/81/24/79/630812479.db2.gz	KFTKIXCSWNLXPD-OMDQHUAHSA-N	-1	0	269.256	2.513	20	30		CFEDRM
CCn1nccc1/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806561320	630812551	/nfs/dbraw/zinc/81/25/51/630812551.db2.gz	UHHPFORGLZTMGE-GDXASINISA-N	-1	0	296.326	2.741	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)nn1	ZINC000806572270	630814765	/nfs/dbraw/zinc/81/47/65/630814765.db2.gz	YNRPKJOQGXNPJF-ONEGZZNKSA-N	-1	0	291.332	2.515	20	30		CFEDRM
O=C1c2ccc([O-])c(F)c2C/C1=C\c1cncs1	ZINC000806575315	630814981	/nfs/dbraw/zinc/81/49/81/630814981.db2.gz	XJXYHCHXSDDOSW-XVNBXDOJSA-N	-1	0	261.277	2.810	20	30		CFEDRM
C#CCC(CC#C)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000807076034	630857438	/nfs/dbraw/zinc/85/74/38/630857438.db2.gz	QBAXEHXPHKEOBB-UHFFFAOYSA-N	-1	0	284.340	2.718	20	30		CFEDRM
[O-]c1c(F)cc(C=NNCC2CCCC2)cc1F	ZINC000808005985	630940147	/nfs/dbraw/zinc/94/01/47/630940147.db2.gz	MGGYZKBDDMVUEZ-UHFFFAOYSA-N	-1	0	254.280	2.784	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837613928	631086228	/nfs/dbraw/zinc/08/62/28/631086228.db2.gz	ZELWMAPLHZTQBW-UHFFFAOYSA-N	-1	0	277.276	2.537	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2C[C@H]2C2CC2)c1	ZINC000840709692	631175700	/nfs/dbraw/zinc/17/57/00/631175700.db2.gz	LCIXBZJNPIVZLI-WETXSBNHSA-N	-1	0	260.293	2.765	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042245106	649996476	/nfs/dbraw/zinc/99/64/76/649996476.db2.gz	LEXXZDZWTQVIAG-UHFFFAOYSA-N	-1	0	261.368	2.830	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC000841491072	631417440	/nfs/dbraw/zinc/41/74/40/631417440.db2.gz	UXRAQCWOPHOSJD-FSPLSTOPSA-N	-1	0	273.745	2.579	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@@H]2CC)CC1	ZINC000810980520	631490393	/nfs/dbraw/zinc/49/03/93/631490393.db2.gz	BAKSZXJMEQZUGQ-STQMWFEESA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(CCC)CCC)CC1	ZINC000810983227	631491318	/nfs/dbraw/zinc/49/13/18/631491318.db2.gz	MUKRGOLSPTYSHJ-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])[C@H](C)C(=O)OC(C)(C)C)n1	ZINC000842281094	631578221	/nfs/dbraw/zinc/57/82/21/631578221.db2.gz	JMKUDNFEPIKZMJ-UWVGGRQHSA-N	-1	0	294.376	2.606	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])[C@H](C)C(=O)OC(C)(C)C)n1	ZINC000842281095	631578348	/nfs/dbraw/zinc/57/83/48/631578348.db2.gz	JMKUDNFEPIKZMJ-VHSXEESVSA-N	-1	0	294.376	2.606	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2=NNc1ccncc1	ZINC000811647689	631592616	/nfs/dbraw/zinc/59/26/16/631592616.db2.gz	WZUREXMSSFDPFW-UHFFFAOYSA-N	-1	0	295.342	2.744	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1ccc(CC(=O)[O-])cc1	ZINC000811670852	631604567	/nfs/dbraw/zinc/60/45/67/631604567.db2.gz	GNLWIIQFWPGUPN-HNLFXFIYSA-N	-1	0	267.712	2.807	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1ccccc1C(=O)[O-]	ZINC000811672281	631604628	/nfs/dbraw/zinc/60/46/28/631604628.db2.gz	VMRGRNXLWOPRQG-LIMBZAAPSA-N	-1	0	253.685	2.878	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cc(C(=O)[O-])ccc1O	ZINC000811671359	631604804	/nfs/dbraw/zinc/60/48/04/631604804.db2.gz	DCTBBZFIYROGNI-WLWPVCBVSA-N	-1	0	269.684	2.584	20	30		CFEDRM
Cc1ccc([O-])c(C(=O)/C=C\c2nc(C#N)cs2)c1	ZINC000811694793	631606814	/nfs/dbraw/zinc/60/68/14/631606814.db2.gz	ZZGZSEGCBDQNEZ-PLNGDYQASA-N	-1	0	270.313	2.925	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC(F)(F)CC2)nc1	ZINC000842530499	631653680	/nfs/dbraw/zinc/65/36/80/631653680.db2.gz	NAPBFMQFAZNLAO-UHFFFAOYSA-N	-1	0	269.251	2.757	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)cn1	ZINC000842535371	631655588	/nfs/dbraw/zinc/65/55/88/631655588.db2.gz	GAMOVJAEKPOJIV-WOPDTQHZSA-N	-1	0	271.320	2.780	20	30		CFEDRM
C#CCON=Cc1ccc(OCc2occc2C(=O)[O-])cc1	ZINC000812236156	631674880	/nfs/dbraw/zinc/67/48/80/631674880.db2.gz	IMFKDRHDVCKDJF-UHFFFAOYSA-N	-1	0	299.282	2.541	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(F)cc1	ZINC000812750324	631767710	/nfs/dbraw/zinc/76/77/10/631767710.db2.gz	SATKTMHODFUWQV-AWEZNQCLSA-N	-1	0	287.265	2.775	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCC1	ZINC000812782619	631772727	/nfs/dbraw/zinc/77/27/27/631772727.db2.gz	ARFCTVFEPWABRZ-UHFFFAOYSA-N	-1	0	277.751	2.833	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OC1CCC1	ZINC000812787388	631775868	/nfs/dbraw/zinc/77/58/68/631775868.db2.gz	QCXKAUVOSNVQSD-LBPRGKRZSA-N	-1	0	256.346	2.558	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc(C2CC2)cs1	ZINC000842940326	631788040	/nfs/dbraw/zinc/78/80/40/631788040.db2.gz	BITBHTCFJSUMCV-JTQLQIEISA-N	-1	0	260.318	2.501	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000843264601	631913228	/nfs/dbraw/zinc/91/32/28/631913228.db2.gz	PYGTWZVRYQVHOF-GDGKGXKISA-N	-1	0	284.699	2.550	20	30		CFEDRM
CC(C)Cn1nccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000843270051	631914313	/nfs/dbraw/zinc/91/43/13/631914313.db2.gz	SXWNFCPNTUQHQL-UTCJRWHESA-N	-1	0	286.331	2.846	20	30		CFEDRM
COC(=O)[C@H](C)CCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814212658	632039903	/nfs/dbraw/zinc/03/99/03/632039903.db2.gz	HSLFEMOYYREVMJ-MRVPVSSYSA-N	-1	0	298.726	2.635	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000856027419	635703462	/nfs/dbraw/zinc/70/34/62/635703462.db2.gz	LHWYSIQLSZPDME-LLVKDONJSA-N	-1	0	290.146	2.651	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2csc(C(=O)[O-])c2)n1	ZINC000814681455	632106688	/nfs/dbraw/zinc/10/66/88/632106688.db2.gz	NCCJJFJGRDVFRR-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
CO[C@@](C)(CN=Nc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000814680992	632106816	/nfs/dbraw/zinc/10/68/16/632106816.db2.gz	RLURZDLDFSJIJU-AWEZNQCLSA-N	-1	0	262.309	2.598	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ncc(Cl)s2)c1	ZINC000814687731	632108690	/nfs/dbraw/zinc/10/86/90/632108690.db2.gz	SXKCVFBPVMFANJ-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccnc2Cl)c1	ZINC000814687900	632108901	/nfs/dbraw/zinc/10/89/01/632108901.db2.gz	XPLBNRZSUAEUME-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nc2ccccc2[nH]1	ZINC000814708673	632111442	/nfs/dbraw/zinc/11/14/42/632111442.db2.gz	KHWFUJSSSNFBQT-VHSXEESVSA-N	-1	0	286.335	2.852	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1nc2ccccc2[nH]1	ZINC000814708671	632111772	/nfs/dbraw/zinc/11/17/72/632111772.db2.gz	KHWFUJSSSNFBQT-NXEZZACHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccnc1Cl	ZINC000814767922	632119923	/nfs/dbraw/zinc/11/99/23/632119923.db2.gz	AIBYMSCUQXMFTO-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1cccc(CO)c1	ZINC000814768300	632120937	/nfs/dbraw/zinc/12/09/37/632120937.db2.gz	QRKDFYWHJVZQSQ-UHFFFAOYSA-N	-1	0	284.315	2.713	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1	ZINC000814855805	632139536	/nfs/dbraw/zinc/13/95/36/632139536.db2.gz	UAVKJTXZUDKTHI-OIBJUYFYSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)n1	ZINC000814854884	632139751	/nfs/dbraw/zinc/13/97/51/632139751.db2.gz	ALMSUNZHZVQUEF-APPZFPTMSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814872895	632145338	/nfs/dbraw/zinc/14/53/38/632145338.db2.gz	CVAAKTZLDNYMRK-GXTWGEPZSA-N	-1	0	274.364	2.961	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H](C)C1	ZINC000814886790	632149219	/nfs/dbraw/zinc/14/92/19/632149219.db2.gz	DAILDIRKLWRAHD-SECBINFHSA-N	-1	0	262.309	2.981	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(C)(C)C1	ZINC000814886596	632149310	/nfs/dbraw/zinc/14/93/10/632149310.db2.gz	BMFAQTACVXWSGT-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NO[C@@H]1CCCCO1	ZINC000814888388	632149952	/nfs/dbraw/zinc/14/99/52/632149952.db2.gz	XRBKWONNRSTGNC-CQSZACIVSA-N	-1	0	277.320	2.879	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)cn1	ZINC000814890500	632151117	/nfs/dbraw/zinc/15/11/17/632151117.db2.gz	QOYPYJQLCDXPBX-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccnc(F)c2)CC[C@H]1C(=O)[O-]	ZINC000814902638	632156541	/nfs/dbraw/zinc/15/65/41/632156541.db2.gz	RQWHQSXWAFGRST-LDYMZIIASA-N	-1	0	265.288	2.509	20	30		CFEDRM
O=C([O-])C1CCC(=NOCc2ccc(F)cc2)CC1	ZINC000814903309	632156808	/nfs/dbraw/zinc/15/68/08/632156808.db2.gz	CAFUEANAMJEMQN-UHFFFAOYSA-N	-1	0	265.284	2.973	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NOC1CCOCC1	ZINC000814906249	632158282	/nfs/dbraw/zinc/15/82/82/632158282.db2.gz	LXGUARSEYVLGFK-UHFFFAOYSA-N	-1	0	271.357	2.983	20	30		CFEDRM
C[C@@H]1CC(N=NC2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000814909243	632160173	/nfs/dbraw/zinc/16/01/73/632160173.db2.gz	IYYDCXDKZKIIMB-ZWNOBZJWSA-N	-1	0	252.358	2.786	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NOC[C@H]1CCOC1	ZINC000814912252	632161738	/nfs/dbraw/zinc/16/17/38/632161738.db2.gz	NSPRCAZTFSKYSP-ZDUSSCGKSA-N	-1	0	271.357	2.841	20	30		CFEDRM
CC[C@H](C)NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814913588	632162737	/nfs/dbraw/zinc/16/27/37/632162737.db2.gz	QRORVNDNFMGXPW-VPHXOMNUSA-N	-1	0	260.337	2.547	20	30		CFEDRM
COc1cc(F)ccc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814917122	632163632	/nfs/dbraw/zinc/16/36/32/632163632.db2.gz	ZDXDRQZWUGJXAK-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNCCC(F)(F)F	ZINC000814920175	632165213	/nfs/dbraw/zinc/16/52/13/632165213.db2.gz	CTEOIEGIBMRDJE-UHFFFAOYSA-N	-1	0	266.263	2.549	20	30		CFEDRM
CC(=NNCCC(F)(F)F)c1csc(C(=O)[O-])c1	ZINC000814920213	632165416	/nfs/dbraw/zinc/16/54/16/632165416.db2.gz	FISUYGYDEMZIBL-UHFFFAOYSA-N	-1	0	280.271	2.712	20	30		CFEDRM
CC(=NNCCc1ccncc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814924958	632167123	/nfs/dbraw/zinc/16/71/23/632167123.db2.gz	JLJKQBQFIIRLLZ-ZDUSSCGKSA-N	-1	0	291.395	2.871	20	30		CFEDRM
CC(=NNC[C@H]1CCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814934503	632172819	/nfs/dbraw/zinc/17/28/19/632172819.db2.gz	AHUNQIZXBQXBEO-DGCLKSJQSA-N	-1	0	286.441	2.986	20	30		CFEDRM
C[C@@H](COc1ccccc1)NN=Cc1cccc(C(=O)[O-])c1	ZINC000814935921	632173388	/nfs/dbraw/zinc/17/33/88/632173388.db2.gz	SVEKLJNQEQBVPU-ZDUSSCGKSA-N	-1	0	298.342	2.776	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC[C@@H]1CCSC1	ZINC000814935998	632173631	/nfs/dbraw/zinc/17/36/31/632173631.db2.gz	UVKIDLHASZNGOW-LBPRGKRZSA-N	-1	0	292.404	2.678	20	30		CFEDRM
CCC(=NNCc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000814936564	632173691	/nfs/dbraw/zinc/17/36/91/632173691.db2.gz	ABZSPRMSPYOPNJ-AWEZNQCLSA-N	-1	0	260.337	2.741	20	30		CFEDRM
C[C@@H](NN=C1CC[C@@H](C(=O)[O-])C[C@H]1C)C(C)(C)C	ZINC000814938207	632174447	/nfs/dbraw/zinc/17/44/47/632174447.db2.gz	XTZIQJVSOFYOMJ-GMTAPVOTSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(F)cc1F	ZINC000814937301	632174472	/nfs/dbraw/zinc/17/44/72/632174472.db2.gz	BEWQOBSYONIBCT-GFCCVEGCSA-N	-1	0	270.279	2.532	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncncc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814939932	632175065	/nfs/dbraw/zinc/17/50/65/632175065.db2.gz	JQOZYWXIOIDXSA-BDAKNGLRSA-N	-1	0	294.330	2.541	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(-c2ccccc2F)s1	ZINC000814959190	632179765	/nfs/dbraw/zinc/17/97/65/632179765.db2.gz	SGOSAYXAVWTWAL-UHFFFAOYSA-N	-1	0	278.308	2.562	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(-c2cccc(F)c2)s1	ZINC000814958230	632179810	/nfs/dbraw/zinc/17/98/10/632179810.db2.gz	GGWIJLMNIMHJTM-UHFFFAOYSA-N	-1	0	278.308	2.562	20	30		CFEDRM
CC(Cc1c(Cl)cccc1Cl)=NNCC(=O)[O-]	ZINC000814959168	632179941	/nfs/dbraw/zinc/17/99/41/632179941.db2.gz	RDURDIHXLBEVQY-UHFFFAOYSA-N	-1	0	275.135	2.586	20	30		CFEDRM
CC(=NNCC(=O)[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1	ZINC000814959075	632180045	/nfs/dbraw/zinc/18/00/45/632180045.db2.gz	LCWLGEHRNGQJGP-JGVFFNPUSA-N	-1	0	272.757	2.555	20	30		CFEDRM
Cc1c(N=NCCC[C@@H]2CCO2)cccc1C(=O)[O-]	ZINC000844622529	632267003	/nfs/dbraw/zinc/26/70/03/632267003.db2.gz	FJVHPMUMQMZMEW-LLVKDONJSA-N	-1	0	262.309	2.660	20	30		CFEDRM
COCC(C)(C)CN=Nc1cccc(C(=O)[O-])c1C	ZINC000844622637	632267055	/nfs/dbraw/zinc/26/70/55/632267055.db2.gz	HOHMHEYEWTZBGE-UHFFFAOYSA-N	-1	0	264.325	2.764	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1	ZINC000815815039	632323638	/nfs/dbraw/zinc/32/36/38/632323638.db2.gz	IGUNWJXAEHNWIE-UHFFFAOYSA-N	-1	0	285.284	2.833	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc[nH]c1C(C)C	ZINC000845444565	632436327	/nfs/dbraw/zinc/43/63/27/632436327.db2.gz	YQVNLPIKMCCAKU-CYBMUJFWSA-N	-1	0	289.379	2.767	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)C1(c2cc(F)cc(C#N)c2)CC1	ZINC000816978881	632543223	/nfs/dbraw/zinc/54/32/23/632543223.db2.gz	CXPHLMIGXROXLU-NSHDSACASA-N	-1	0	290.338	2.823	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCCC1CC1	ZINC000817413498	632625205	/nfs/dbraw/zinc/62/52/05/632625205.db2.gz	UOUTVKFNJUJXTJ-CYBMUJFWSA-N	-1	0	270.373	2.806	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Cl	ZINC000846151159	632648141	/nfs/dbraw/zinc/64/81/41/632648141.db2.gz	XEYCJPFQEQVFBQ-UHFFFAOYSA-N	-1	0	296.754	2.519	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C)c(C)c1Cl	ZINC000846156470	632649245	/nfs/dbraw/zinc/64/92/45/632649245.db2.gz	LXOLEFQYGJVZLS-SECBINFHSA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@@H]1CCCc2ccccc21	ZINC000846533876	632724331	/nfs/dbraw/zinc/72/43/31/632724331.db2.gz	OSGAGDGJZCQNFB-OAHLLOKOSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)c1c(F)cccc1F	ZINC000846535744	632725335	/nfs/dbraw/zinc/72/53/35/632725335.db2.gz	LRVPZURXAWPIHU-VIFPVBQESA-N	-1	0	255.264	2.692	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1SCCc2ccccc21	ZINC000846538721	632727344	/nfs/dbraw/zinc/72/73/44/632727344.db2.gz	ZMWRGBSWIHFMSJ-CYBMUJFWSA-N	-1	0	263.362	2.641	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccccc1Cl	ZINC000846538459	632727743	/nfs/dbraw/zinc/72/77/43/632727743.db2.gz	RFNBZGGDJUSJQS-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(/C=C/C)cc1OC	ZINC000846541396	632729472	/nfs/dbraw/zinc/72/94/72/632729472.db2.gz	VUMBPUXBWRBMDG-AATRIKPKSA-N	-1	0	291.347	2.731	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccccc1C	ZINC000846541308	632729532	/nfs/dbraw/zinc/72/95/32/632729532.db2.gz	SORWYMFVZMOBGE-UHFFFAOYSA-N	-1	0	251.351	2.711	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(Cl)c(C)c1	ZINC000846540678	632729637	/nfs/dbraw/zinc/72/96/37/632729637.db2.gz	GOYIVEMFOYGRSU-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1SCCc2sccc21	ZINC000846544967	632732917	/nfs/dbraw/zinc/73/29/17/632732917.db2.gz	DBEQWVHPVGTXJZ-KCJUWKMLSA-N	-1	0	269.391	2.701	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](c1cccc(Cl)c1)N(C)C	ZINC000846545952	632734542	/nfs/dbraw/zinc/73/45/42/632734542.db2.gz	QWNMWJPAYGHWIF-MFKMUULPSA-N	-1	0	282.771	2.565	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCc2c1cccc2Cl	ZINC000846547096	632734998	/nfs/dbraw/zinc/73/49/98/632734998.db2.gz	AYURZGUXLJKOLM-JOYOIKCWSA-N	-1	0	265.740	2.992	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCc2c1cccc2Cl	ZINC000846547092	632735153	/nfs/dbraw/zinc/73/51/53/632735153.db2.gz	AYURZGUXLJKOLM-BXKDBHETSA-N	-1	0	265.740	2.992	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)OC1CCCCCC1	ZINC000846546916	632735207	/nfs/dbraw/zinc/73/52/07/632735207.db2.gz	GZBQAOUDIWYYTO-RYUDHWBXSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@]1(C)CCCc2ccccc21	ZINC000846548775	632737813	/nfs/dbraw/zinc/73/78/13/632737813.db2.gz	HDAOQLRSLWJDOH-BLLLJJGKSA-N	-1	0	259.349	2.903	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	ZINC000846550641	632738866	/nfs/dbraw/zinc/73/88/66/632738866.db2.gz	PNLQUBIJJUVDHQ-NWDGAFQWSA-N	-1	0	275.348	2.565	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(OC)cc2)CCC1	ZINC000846551387	632739824	/nfs/dbraw/zinc/73/98/24/632739824.db2.gz	SHAZSNXORLZDQY-LBPRGKRZSA-N	-1	0	275.348	2.739	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@](O)(CC)c1cccc(Cl)c1	ZINC000846552454	632740046	/nfs/dbraw/zinc/74/00/46/632740046.db2.gz	IBIMGPHMFAGKPM-IINYFYTJSA-N	-1	0	283.755	2.560	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](OC(C)C)c1ccccc1	ZINC000846553136	632740538	/nfs/dbraw/zinc/74/05/38/632740538.db2.gz	YFVLNISRAPQIFQ-JSGCOSHPSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CO[C@H]1CCCc2ccccc21	ZINC000846553143	632741196	/nfs/dbraw/zinc/74/11/96/632741196.db2.gz	YIQAXKMGAYINJP-DOMZBBRYSA-N	-1	0	275.348	2.703	20	30		CFEDRM
CC(C)(CCNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000818618451	632881966	/nfs/dbraw/zinc/88/19/66/632881966.db2.gz	NKHBYVVPGDPTFG-UHFFFAOYSA-N	-1	0	273.745	2.581	20	30		CFEDRM
C#CC1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1	ZINC000848238440	633222467	/nfs/dbraw/zinc/22/24/67/633222467.db2.gz	SAWKDZUDGUOPOZ-UHFFFAOYSA-N	-1	0	297.276	2.896	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000848244783	633222844	/nfs/dbraw/zinc/22/28/44/633222844.db2.gz	DRQPOEUZMKPBEO-GWCFXTLKSA-N	-1	0	282.771	2.565	20	30		CFEDRM
CCSCCCN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413984	633252356	/nfs/dbraw/zinc/25/23/56/633252356.db2.gz	GWTXAFSVTROGTL-UHFFFAOYSA-N	-1	0	266.366	2.855	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C1(C)C	ZINC000848416001	633253306	/nfs/dbraw/zinc/25/33/06/633253306.db2.gz	VMSGNPRUQURKTM-AWEZNQCLSA-N	-1	0	290.363	2.917	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@@H]3C[C@@H]32)cc1	ZINC000848414369	633253360	/nfs/dbraw/zinc/25/33/60/633253360.db2.gz	NJJFMCBWUJMFMA-YPMHNXCESA-N	-1	0	258.321	2.902	20	30		CFEDRM
CC(C)n1nccc1C=NNc1ccc(CC(=O)[O-])cc1	ZINC000848415097	633253376	/nfs/dbraw/zinc/25/33/76/633253376.db2.gz	VXPZKUSDTVTBIQ-UHFFFAOYSA-N	-1	0	286.335	2.537	20	30		CFEDRM
C=CCN(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C	ZINC000848595192	633297518	/nfs/dbraw/zinc/29/75/18/633297518.db2.gz	DXDSUAQVTPOXTG-FRRDWIJNSA-N	-1	0	296.411	2.728	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc([O-])c(F)c1	ZINC000848640040	633307119	/nfs/dbraw/zinc/30/71/19/633307119.db2.gz	HBVOSGKJRVWISP-FNORWQNLSA-N	-1	0	286.306	2.960	20	30		CFEDRM
CCO[C@H]1C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000849169231	633577246	/nfs/dbraw/zinc/57/72/46/633577246.db2.gz	AFPKLKPPJBBXPM-RLWFGBEESA-N	-1	0	298.726	2.940	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850760383	634081819	/nfs/dbraw/zinc/08/18/19/634081819.db2.gz	YQSYIPRPGPKFLY-MRXNPFEDSA-N	-1	0	296.370	2.945	20	30		CFEDRM
CCCn1nccc1/C=C/C(=O)c1ccc(OC)cc1[O-]	ZINC000853006809	634872617	/nfs/dbraw/zinc/87/26/17/634872617.db2.gz	KQQUNPGAVPKEDM-QPJJXVBHSA-N	-1	0	286.331	2.903	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000853325959	634970029	/nfs/dbraw/zinc/97/00/29/634970029.db2.gz	PIMOOCCEDWPVGD-CYBMUJFWSA-N	-1	0	291.351	2.773	20	30		CFEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(C(=O)[O-])nc1	ZINC000853354562	634981097	/nfs/dbraw/zinc/98/10/97/634981097.db2.gz	NUXSELQGTDHGMR-UHFFFAOYSA-N	-1	0	260.297	2.507	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000853379381	634987420	/nfs/dbraw/zinc/98/74/20/634987420.db2.gz	ICXXOWMTWJIITI-SNVBAGLBSA-N	-1	0	263.297	2.509	20	30		CFEDRM
C[C@H]1CCCCN1N=C1C(=O)Nc2cc([O-])c(Cl)cc21	ZINC000853384926	634989649	/nfs/dbraw/zinc/98/96/49/634989649.db2.gz	OHSYYMQSUVCRCD-QMMMGPOBSA-N	-1	0	293.754	2.576	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855027167	635445145	/nfs/dbraw/zinc/44/51/45/635445145.db2.gz	CGIXILYQAUZSHH-DGCLKSJQSA-N	-1	0	297.395	2.757	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@]1(c2ccccc2)CC1(C)C	ZINC000855026952	635445259	/nfs/dbraw/zinc/44/52/59/635445259.db2.gz	UUCLZDZYYZDCCJ-MRXNPFEDSA-N	-1	0	259.349	2.978	20	30		CFEDRM
C=CCN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)COC	ZINC000855371720	635522129	/nfs/dbraw/zinc/52/21/29/635522129.db2.gz	HUHJNZFTEGYKON-JTQLQIEISA-N	-1	0	283.755	2.709	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cccc(F)c2)CCC1	ZINC000856030195	635705551	/nfs/dbraw/zinc/70/55/51/635705551.db2.gz	STBRVHGVYKFUHG-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(Cl)c(Cl)c1	ZINC000856029754	635705717	/nfs/dbraw/zinc/70/57/17/635705717.db2.gz	BLFOQMOZWXNROO-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccccc1OC	ZINC000856031356	635706203	/nfs/dbraw/zinc/70/62/03/635706203.db2.gz	MGZCBCIDJBTDAC-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(OC)c(OC)c1	ZINC000856032993	635707995	/nfs/dbraw/zinc/70/79/95/635707995.db2.gz	VDCRXIRBFFPLLZ-UHFFFAOYSA-N	-1	0	293.363	2.605	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCCOCC1	ZINC000857207529	635946953	/nfs/dbraw/zinc/94/69/53/635946953.db2.gz	HDMWJYGJURGZLU-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccs1)C1CC1	ZINC000048450424	650267108	/nfs/dbraw/zinc/26/71/08/650267108.db2.gz	DXXNGBVBNMYTRF-BQYQJAHWSA-N	-1	0	271.363	2.750	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048454342	650267122	/nfs/dbraw/zinc/26/71/22/650267122.db2.gz	JFGQFDCQMJPDPY-MRVPVSSYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CCCc1ccc(C(=O)CCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000048479185	650268701	/nfs/dbraw/zinc/26/87/01/650268701.db2.gz	QPOFKJMYWNKDID-UHFFFAOYSA-N	-1	0	297.376	2.518	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)c1	ZINC000048472321	650268766	/nfs/dbraw/zinc/26/87/66/650268766.db2.gz	AMJQYTFVVFNEHR-LBPRGKRZSA-N	-1	0	297.376	2.518	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518352	650269720	/nfs/dbraw/zinc/26/97/20/650269720.db2.gz	OQOIEUXMGSKEFR-PBQZMEPESA-N	-1	0	267.350	2.990	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)c1	ZINC000048519492	650269989	/nfs/dbraw/zinc/26/99/89/650269989.db2.gz	VOWHCEAHILHOOL-LLVKDONJSA-N	-1	0	290.344	2.560	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CC(C)C	ZINC000194601585	636794094	/nfs/dbraw/zinc/79/40/94/636794094.db2.gz	XQPXLHRRKPEQID-UHFFFAOYSA-N	-1	0	277.430	2.839	20	30		CFEDRM
CCC(C#N)(CC)C(=O)[N-]OCc1ccccc1OC	ZINC000861521436	637203694	/nfs/dbraw/zinc/20/36/94/637203694.db2.gz	QORWTKNTAVTSBL-UHFFFAOYSA-N	-1	0	276.336	2.573	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OC3CCC3)CCCC2)cc1	ZINC000861881127	637249653	/nfs/dbraw/zinc/24/96/53/637249653.db2.gz	NLEPFYRRUUCHSU-UHFFFAOYSA-N	-1	0	284.359	2.970	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000862573767	637439311	/nfs/dbraw/zinc/43/93/11/637439311.db2.gz	DRCWBKKRJRDTTF-JTQLQIEISA-N	-1	0	286.356	2.602	20	30		CFEDRM
CCC(CCc1ccccc1)N=Nc1nnc(C)c(=O)[n-]1	ZINC000863067512	637548530	/nfs/dbraw/zinc/54/85/30/637548530.db2.gz	AFFXBHQEUZTQMK-UHFFFAOYSA-N	-1	0	285.351	2.696	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@@H]1CCCCO1	ZINC000863075730	637550758	/nfs/dbraw/zinc/55/07/58/637550758.db2.gz	WUGGKCLYAYDFNB-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=c1nc(NN=C[C@@H]2CC23CC3)[nH]c2ccccc12	ZINC000863101162	637554969	/nfs/dbraw/zinc/55/49/69/637554969.db2.gz	LAOFZTICKDKYLS-VIFPVBQESA-N	-1	0	254.293	2.533	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1cc(C)ccc1C	ZINC000863115031	637561391	/nfs/dbraw/zinc/56/13/91/637561391.db2.gz	XUWUNLYBMRCKTB-CQSZACIVSA-N	-1	0	262.353	2.870	20	30		CFEDRM
CC(C)CC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000863967739	637823070	/nfs/dbraw/zinc/82/30/70/637823070.db2.gz	UTYIUUFWPPFYGA-UHFFFAOYSA-N	-1	0	261.350	2.565	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000864183160	637906557	/nfs/dbraw/zinc/90/65/57/637906557.db2.gz	CSAXAWUOJMKKKM-GRYCIOLGSA-N	-1	0	299.798	2.937	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc2c(s1)CCC2)C(=O)[O-]	ZINC000864183818	637906814	/nfs/dbraw/zinc/90/68/14/637906814.db2.gz	ISWPQKPJSDREEI-SECBINFHSA-N	-1	0	299.779	2.562	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000864184146	637907147	/nfs/dbraw/zinc/90/71/47/637907147.db2.gz	OCGUMVJATGXFHA-USWWRNFRSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(CC)cc1)C(=O)[O-]	ZINC000864184981	637907523	/nfs/dbraw/zinc/90/75/23/637907523.db2.gz	ZKIAPJUJABRLCX-GFCCVEGCSA-N	-1	0	281.739	2.575	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000864186461	637908022	/nfs/dbraw/zinc/90/80/22/637908022.db2.gz	PYYITCXZAGFHNT-GHMZBOCLSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(=O)[O-]	ZINC000864186803	637908079	/nfs/dbraw/zinc/90/80/79/637908079.db2.gz	XYDAZZRZRPHPIC-UTUOFQBUSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000864187239	637908713	/nfs/dbraw/zinc/90/87/13/637908713.db2.gz	HGFCVUYHYNJCTD-RJCSOLBVSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000864188744	637909277	/nfs/dbraw/zinc/90/92/77/637909277.db2.gz	KGXFKUUQHXUESN-TUAOUCFPSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000864187796	637909726	/nfs/dbraw/zinc/90/97/26/637909726.db2.gz	OSXYQCJEGZGQEG-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1cccc(CC)c1)C(=O)[O-]	ZINC000864581658	638032792	/nfs/dbraw/zinc/03/27/92/638032792.db2.gz	ZHBIEKQVDUOTGW-GFCCVEGCSA-N	-1	0	296.754	2.966	20	30		CFEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000076756157	650401271	/nfs/dbraw/zinc/40/12/71/650401271.db2.gz	URQRJJITJSYORC-UHFFFAOYSA-N	-1	0	297.376	2.623	20	30		CFEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)CCc1ccccc1	ZINC000076910194	650410100	/nfs/dbraw/zinc/41/01/00/650410100.db2.gz	ARDIRYIVEIFBCT-UHFFFAOYSA-N	-1	0	281.377	2.706	20	30		CFEDRM
C[C@H](N[C@@H](C)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866358539	638803379	/nfs/dbraw/zinc/80/33/79/638803379.db2.gz	JKWLUMXOFNUNGW-YUMQZZPRSA-N	-1	0	258.243	2.865	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1cccc(OC)c1	ZINC000869153777	639050739	/nfs/dbraw/zinc/05/07/39/639050739.db2.gz	WKGOEHIEXWGWKQ-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2nccc3ccccc32)CC1	ZINC000869154127	639051043	/nfs/dbraw/zinc/05/10/43/639051043.db2.gz	MWHNWYLJUHYQIZ-LBPRGKRZSA-N	-1	0	282.343	2.889	20	30		CFEDRM
CCCCC[C@@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122934833	639518723	/nfs/dbraw/zinc/51/87/23/639518723.db2.gz	ULZGJDGIRRIAOY-OLZOCXBDSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)s1	ZINC000870133238	639527971	/nfs/dbraw/zinc/52/79/71/639527971.db2.gz	RIEUYLMHLZDCKO-LBPRGKRZSA-N	-1	0	290.388	2.645	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2c([O-])cccc2F)c1	ZINC000123184589	639707875	/nfs/dbraw/zinc/70/78/75/639707875.db2.gz	CXMDHAKNUBNGCB-UHFFFAOYSA-N	-1	0	269.275	2.789	20	30		CFEDRM
CN(C(=O)c1cccc(Cl)c1[O-])[C@H]1CCC[C@@H]1C#N	ZINC000870673186	639762871	/nfs/dbraw/zinc/76/28/71/639762871.db2.gz	DDDHZNMTOGQZBX-SKDRFNHKSA-N	-1	0	278.739	2.810	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CC23CCSCC3)c1	ZINC000870690047	639772666	/nfs/dbraw/zinc/77/26/66/639772666.db2.gz	HTXYUMWQTIQRJE-ZDUSSCGKSA-N	-1	0	288.372	2.502	20	30		CFEDRM
CC(C)(CC(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690807	639773520	/nfs/dbraw/zinc/77/35/20/639773520.db2.gz	UTWWOGCMCWBCSF-UHFFFAOYSA-N	-1	0	286.253	2.947	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CC2(C)CCCCC2)CC1	ZINC000870833879	641090832	/nfs/dbraw/zinc/09/08/32/641090832.db2.gz	IUZYLLMTEZUZMN-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C)CC1	ZINC000870835446	641092046	/nfs/dbraw/zinc/09/20/46/641092046.db2.gz	DBXCAUQVOVZVJY-NSHDSACASA-N	-1	0	287.425	2.613	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000193372481	650647559	/nfs/dbraw/zinc/64/75/59/650647559.db2.gz	ZASBMFWPPVUHAI-VIFPVBQESA-N	-1	0	282.727	2.562	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000193376217	650648546	/nfs/dbraw/zinc/64/85/46/650648546.db2.gz	NTXLOUFVOGAFCR-AWEZNQCLSA-N	-1	0	272.348	2.624	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)[C@H]1CCCOC1	ZINC000872324429	641756149	/nfs/dbraw/zinc/75/61/49/641756149.db2.gz	RHXRIEURCOGTLT-LBPRGKRZSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CC(C)(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CCO1	ZINC000872360491	641768348	/nfs/dbraw/zinc/76/83/48/641768348.db2.gz	NREUEGYUMNHYEO-LBPRGKRZSA-N	-1	0	291.351	2.773	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(OC(C)(C)C)c1	ZINC000872718654	641910680	/nfs/dbraw/zinc/91/06/80/641910680.db2.gz	CWBSCLWIXQUKTC-UHFFFAOYSA-N	-1	0	291.347	2.577	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CC)CCC)C(=O)[O-]	ZINC000872740892	641918376	/nfs/dbraw/zinc/91/83/76/641918376.db2.gz	QTCCLCOFECMUAQ-UWVGGRQHSA-N	-1	0	261.749	2.525	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)[C@H](C)CCOc1ccccc1	ZINC000080667861	650703306	/nfs/dbraw/zinc/70/33/06/650703306.db2.gz	SUKBPLHLAXRJBW-GFCCVEGCSA-N	-1	0	299.392	2.788	20	30		CFEDRM
C=CCC1(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CCC1	ZINC000872765887	641924961	/nfs/dbraw/zinc/92/49/61/641924961.db2.gz	INMUBJXHKOODEC-WBMJQRKESA-N	-1	0	277.364	2.589	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)CCCC(=O)[O-])CCCC1(C)C	ZINC000872986335	641977811	/nfs/dbraw/zinc/97/78/11/641977811.db2.gz	MKNONYOWKUZPPM-LBPRGKRZSA-N	-1	0	267.369	2.835	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1sccc1C(F)F	ZINC000873498164	642224011	/nfs/dbraw/zinc/22/40/11/642224011.db2.gz	NTLLRLFBSGEZAB-QMMMGPOBSA-N	-1	0	286.303	2.533	20	30		CFEDRM
N#Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)o1	ZINC000873642297	642285689	/nfs/dbraw/zinc/28/56/89/642285689.db2.gz	RFEUSGSSSNJSOY-CQSZACIVSA-N	-1	0	282.299	2.730	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CC1	ZINC000874861132	642532503	/nfs/dbraw/zinc/53/25/03/642532503.db2.gz	HGFBOBDEHQIMJA-KYZUINATSA-N	-1	0	297.276	2.731	20	30		CFEDRM
N#Cc1sccc1-c1cc(C=O)cc(C(=O)[O-])c1	ZINC000874969413	642566877	/nfs/dbraw/zinc/56/68/77/642566877.db2.gz	OBLJHGDFUNFZKU-UHFFFAOYSA-N	-1	0	257.270	2.797	20	30		CFEDRM
N#Cc1ccc(OCC(=O)[O-])cc1-c1ccc(C=O)s1	ZINC000874971024	642567717	/nfs/dbraw/zinc/56/77/17/642567717.db2.gz	MTBOTMXNKTVTSW-UHFFFAOYSA-N	-1	0	287.296	2.563	20	30		CFEDRM
CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875483242	642628072	/nfs/dbraw/zinc/62/80/72/642628072.db2.gz	UEZUNGQNFVWHBK-LBPRGKRZSA-N	-1	0	288.244	2.865	20	30		CFEDRM
CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875497691	642631155	/nfs/dbraw/zinc/63/11/55/642631155.db2.gz	DHKQNSYSSHPGLU-LLVKDONJSA-N	-1	0	288.244	2.865	20	30		CFEDRM
CCn1nnc(C)c1/C=C\C(=O)c1cc(C(=O)[O-])ccc1C	ZINC000876497859	642893045	/nfs/dbraw/zinc/89/30/45/642893045.db2.gz	GTRILZSLRGLYCG-FPLPWBNLSA-N	-1	0	299.330	2.509	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054797	650794692	/nfs/dbraw/zinc/79/46/92/650794692.db2.gz	YQLFGSNNNQQZSI-JTQLQIEISA-N	-1	0	257.355	2.572	20	30		CFEDRM
C[C@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056510	650795316	/nfs/dbraw/zinc/79/53/16/650795316.db2.gz	LPKRYNUGLCOKPT-NSHDSACASA-N	-1	0	297.376	2.683	20	30		CFEDRM
Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000126009529	642917414	/nfs/dbraw/zinc/91/74/14/642917414.db2.gz	NWEHLHAOGFJURM-ZDUSSCGKSA-N	-1	0	290.750	2.593	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000088800665	650819864	/nfs/dbraw/zinc/81/98/64/650819864.db2.gz	XGHZNWLICJZALZ-UHFFFAOYSA-N	-1	0	269.297	2.581	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F	ZINC000088800446	650820011	/nfs/dbraw/zinc/82/00/11/650820011.db2.gz	OZXHMDGAKAVWGE-UHFFFAOYSA-N	-1	0	291.319	2.594	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(C)c1C	ZINC000089971403	650861404	/nfs/dbraw/zinc/86/14/04/650861404.db2.gz	BGYCTEKBNGYDSO-RMKNXTFCSA-N	-1	0	297.376	2.923	20	30		CFEDRM
C[C@@H](CC#N)NCc1cc(=O)oc2cc([O-])c(Cl)cc12	ZINC000878820872	644039673	/nfs/dbraw/zinc/03/96/73/644039673.db2.gz	OVZLHYZFVHQYNY-QMMMGPOBSA-N	-1	0	292.722	2.544	20	30		CFEDRM
Cc1nc(C(C)C)ncc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000879066010	644131012	/nfs/dbraw/zinc/13/10/12/644131012.db2.gz	LSLPCUCVZPNDRK-UHFFFAOYSA-N	-1	0	296.330	2.738	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000092208803	650916002	/nfs/dbraw/zinc/91/60/02/650916002.db2.gz	QTIIGSTXIMCRDZ-GQCTYLIASA-N	-1	0	274.295	2.723	20	30		CFEDRM
CCCCCCCCCC(=O)NC1(C(=O)[O-])CCOCC1	ZINC000131694222	645788743	/nfs/dbraw/zinc/78/87/43/645788743.db2.gz	YSLSVWZDSMUXDG-UHFFFAOYSA-N	-1	0	299.411	2.877	20	30		CFEDRM
C#CCC1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCC1	ZINC000886791602	647138270	/nfs/dbraw/zinc/13/82/70/647138270.db2.gz	PXGCRONHDXRJKV-UHFFFAOYSA-N	-1	0	286.356	2.792	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCC3(CCC3)O2)c1	ZINC000887269866	647256595	/nfs/dbraw/zinc/25/65/95/647256595.db2.gz	CQECMYPVRCHYPW-WPBJZHHJSA-N	-1	0	290.319	2.821	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@]23CCCO3)c1	ZINC000887270249	647256760	/nfs/dbraw/zinc/25/67/60/647256760.db2.gz	JYSVFAUMLSNIFX-FJOYCWEKSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C[C@@H](CCC(=O)[O-])NC(=O)OCC1CCCCC1	ZINC000926481968	648503518	/nfs/dbraw/zinc/50/35/18/648503518.db2.gz	WCWIJDCZAGSRBU-LBPRGKRZSA-N	-1	0	269.341	2.712	20	30		CFEDRM
N#CCN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000930615387	649288026	/nfs/dbraw/zinc/28/80/26/649288026.db2.gz	FGUWUSOYDSYFBH-UHFFFAOYSA-N	-1	0	285.130	2.827	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1cccc(F)c1[O-]	ZINC000930901496	649346396	/nfs/dbraw/zinc/34/63/96/649346396.db2.gz	FQFIAQVJLYESLI-UHFFFAOYSA-N	-1	0	264.300	2.543	20	30		CFEDRM
CC(C)[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000932381117	649588433	/nfs/dbraw/zinc/58/84/33/649588433.db2.gz	OCHCXYOLAMQOMI-JTQLQIEISA-N	-1	0	287.146	2.977	20	30		CFEDRM
N#CCN(C(=O)c1cc(F)cc(F)c1[O-])C1CCCC1	ZINC000933241501	649681548	/nfs/dbraw/zinc/68/15/48/649681548.db2.gz	MDOXPMUIXKLORX-UHFFFAOYSA-N	-1	0	280.274	2.579	20	30		CFEDRM
CCCCC(=NNc1nnc(C)c(=O)[n-]1)c1ccccc1	ZINC000254309422	651086297	/nfs/dbraw/zinc/08/62/97/651086297.db2.gz	GOGVHKPMDDBQDD-UHFFFAOYSA-N	-1	0	285.351	2.892	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2c(c1)CCC2	ZINC000119763971	651300079	/nfs/dbraw/zinc/30/00/79/651300079.db2.gz	QHXUIQAQNOSJOY-MRXNPFEDSA-N	-1	0	296.370	2.557	20	30		CFEDRM
COc1cc(-c2ccc(C(=O)[O-])c(F)c2F)ncc1C#N	ZINC001243508197	782244768	/nfs/dbraw/zinc/24/47/68/782244768.db2.gz	CHNZOKXMGJMRKQ-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cc(F)cc(F)c3[O-])cn12	ZINC001243504990	782239771	/nfs/dbraw/zinc/23/97/71/782239771.db2.gz	DBWFRHDQVMIJFO-UHFFFAOYSA-N	-1	0	271.226	2.857	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2F)c(F)c1	ZINC001243512463	782247837	/nfs/dbraw/zinc/24/78/37/782247837.db2.gz	WRXLKUFXJFQVBL-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243511807	782246931	/nfs/dbraw/zinc/24/69/31/782246931.db2.gz	JHGQOPVWAWAUQU-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2F)cnc1F	ZINC001243513933	782249581	/nfs/dbraw/zinc/24/95/81/782249581.db2.gz	KHMUPGLJKVPPET-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1nnc(-c2ccc(Cl)c([O-])c2)c(C#N)c1C	ZINC001243576012	782285883	/nfs/dbraw/zinc/28/58/83/782285883.db2.gz	DQUXEPXQDDTOSL-UHFFFAOYSA-N	-1	0	259.696	2.991	20	30		CFEDRM
COc1cnc(-c2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001243576433	782286463	/nfs/dbraw/zinc/28/64/63/782286463.db2.gz	GVOVFUGNHZCGPP-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=S)nnc1C	ZINC001227599847	777857621	/nfs/dbraw/zinc/85/76/21/777857621.db2.gz	AXFLFQQORLGDRT-SNVBAGLBSA-N	-1	0	253.371	2.982	20	30		CFEDRM
C#CCOc1ccc(Nc2ccc(C(=O)[O-])nc2)cc1	ZINC001210175518	770222572	/nfs/dbraw/zinc/22/25/72/770222572.db2.gz	IGGMMMMMUPVESS-UHFFFAOYSA-N	-1	0	268.272	2.535	20	30		CFEDRM
Cc1ccc(C#N)cc1Nc1ccc(S(=O)(=O)[O-])cc1	ZINC001210501836	770298179	/nfs/dbraw/zinc/29/81/79/770298179.db2.gz	WISXZSYRDLVNSR-UHFFFAOYSA-N	-1	0	288.328	2.857	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1Nc1ccccc1C(=O)[O-]	ZINC001210968495	770406833	/nfs/dbraw/zinc/40/68/33/770406833.db2.gz	IUPIZMOFDZXVQP-UHFFFAOYSA-N	-1	0	296.282	2.787	20	30		CFEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccncc1	ZINC000588386408	770471133	/nfs/dbraw/zinc/47/11/33/770471133.db2.gz	NWUAIPZZZSHRLU-UPHRSURJSA-N	-1	0	261.227	2.962	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1csc(C(=O)[O-])c1	ZINC000382245930	770536741	/nfs/dbraw/zinc/53/67/41/770536741.db2.gz	SYLPNJIYZKZKCN-ZVMGRCLESA-N	-1	0	259.714	2.939	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000724456201	770888288	/nfs/dbraw/zinc/88/82/88/770888288.db2.gz	KAZUUWCSIXEAHJ-ZIAGYGMSSA-N	-1	0	279.380	2.740	20	30		CFEDRM
Cc1cc(Nc2c(N)cccc2C#N)cc(C(=O)[O-])c1	ZINC001211549222	770938911	/nfs/dbraw/zinc/93/89/11/770938911.db2.gz	ICNZBIIWZDOJMW-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2cccc(O)c2)c1	ZINC000588537095	770952187	/nfs/dbraw/zinc/95/21/87/770952187.db2.gz	QIPMGYQYPWSKTD-ALCCZGGFSA-N	-1	0	280.283	2.621	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2sccc2C#N)c(F)c1	ZINC000404960271	775154911	/nfs/dbraw/zinc/15/49/11/775154911.db2.gz	PGDQNZFUUCZGJH-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1nc(C)c(C#N)cc1C#N	ZINC001211618611	775263625	/nfs/dbraw/zinc/26/36/25/775263625.db2.gz	INMVFEFSWPBNCN-UHFFFAOYSA-N	-1	0	292.298	2.884	20	30		CFEDRM
C=CCCCCCCCCCOC(=O)[C@@H](O)CC(=O)[O-]	ZINC001224916381	775308415	/nfs/dbraw/zinc/30/84/15/775308415.db2.gz	NADYQVNEUIOGPI-ZDUSSCGKSA-N	-1	0	286.368	2.672	20	30		CFEDRM
O=C([O-])CO[C@@H](/C(=N\O)c1ccccc1)c1ccccc1	ZINC001225021716	775338446	/nfs/dbraw/zinc/33/84/46/775338446.db2.gz	GFBCHKVSXXBHJD-CFBLSMTOSA-N	-1	0	285.299	2.707	20	30		CFEDRM
N#CC[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225019654	775339102	/nfs/dbraw/zinc/33/91/02/775339102.db2.gz	ZLCUYMWLNMUWPC-ZDUSSCGKSA-N	-1	0	283.264	2.616	20	30		CFEDRM
C#C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(C)C	ZINC001225885571	775623293	/nfs/dbraw/zinc/62/32/93/775623293.db2.gz	MKHJINSCNMSBRM-LURJTMIESA-N	-1	0	262.202	2.985	20	30		CFEDRM
COc1ccc([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cc1	ZINC001226008009	775665920	/nfs/dbraw/zinc/66/59/20/775665920.db2.gz	CPJMUVXEXGXQFS-SECBINFHSA-N	-1	0	288.278	2.947	20	30		CFEDRM
C[C@H](COc1[n-]c(=O)c(F)cc1C#N)Oc1ccccc1	ZINC001226008535	775665928	/nfs/dbraw/zinc/66/59/28/775665928.db2.gz	HYXBSJWGDZWCSY-SNVBAGLBSA-N	-1	0	288.278	2.644	20	30		CFEDRM
COc1cccc([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c1	ZINC001226008127	775666175	/nfs/dbraw/zinc/66/61/75/775666175.db2.gz	DTZPVVZKCOSLSU-SECBINFHSA-N	-1	0	288.278	2.947	20	30		CFEDRM
CC(C)C(Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226008894	775666627	/nfs/dbraw/zinc/66/66/27/775666627.db2.gz	NORABVNOIOYTEM-UHFFFAOYSA-N	-1	0	252.289	2.857	20	30		CFEDRM
CO[C@@H](COc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226012557	775667301	/nfs/dbraw/zinc/66/73/01/775667301.db2.gz	BDFPMAACGGPARZ-ZDUSSCGKSA-N	-1	0	288.278	2.564	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226015993	775669494	/nfs/dbraw/zinc/66/94/94/775669494.db2.gz	OSQOOZSANPDBBD-ZETCQYMHSA-N	-1	0	270.329	2.664	20	30		CFEDRM
COC(=O)[C@H](Cc1ccccc1)Oc1cccc(/C=N/O)c1	ZINC001226110751	775701666	/nfs/dbraw/zinc/70/16/66/775701666.db2.gz	VETODXLWYXSJDT-IQFISFIMSA-N	-1	0	299.326	2.658	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CCCc3cccnc32)c1C#N	ZINC001226222214	775740496	/nfs/dbraw/zinc/74/04/96/775740496.db2.gz	WEVGFIKOCOFZEP-CYBMUJFWSA-N	-1	0	281.315	2.819	20	30		CFEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cn1	ZINC001226222198	775741424	/nfs/dbraw/zinc/74/14/24/775741424.db2.gz	VNEBTAKNDNFIRX-LLVKDONJSA-N	-1	0	269.304	2.811	20	30		CFEDRM
CC(=O)[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226222820	775742507	/nfs/dbraw/zinc/74/25/07/775742507.db2.gz	HTLSAHZJELGBAL-OAHLLOKOSA-N	-1	0	282.299	2.676	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@H](CC)CCCC	ZINC001226331807	775783069	/nfs/dbraw/zinc/78/30/69/775783069.db2.gz	PSDGVGOHNGKNHU-ZYHUDNBSSA-N	-1	0	293.323	2.687	20	30		CFEDRM
CC#CC[C@H](CC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347891	775786725	/nfs/dbraw/zinc/78/67/25/775786725.db2.gz	WTKPMXAQIQHEPJ-QMMMGPOBSA-N	-1	0	274.242	2.772	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226410093	775811105	/nfs/dbraw/zinc/81/11/05/775811105.db2.gz	ZCPXXZVVEPTFEH-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=C[C@@H](Oc1nc(C)[n-]c(=O)c1F)c1ccccc1	ZINC001226425017	775818814	/nfs/dbraw/zinc/81/88/14/775818814.db2.gz	UECHUZBTJMINSP-LLVKDONJSA-N	-1	0	260.268	2.936	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc[n-]c(=O)c1Br	ZINC001226723604	775937735	/nfs/dbraw/zinc/93/77/35/775937735.db2.gz	YKXMSZITVAIHKZ-ZETCQYMHSA-N	-1	0	273.130	2.678	20	30		CFEDRM
N#CC[C@@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1	ZINC001226786309	775963661	/nfs/dbraw/zinc/96/36/61/775963661.db2.gz	PGQZSRCJYXJBHU-SNVBAGLBSA-N	-1	0	297.343	2.675	20	30		CFEDRM
C=C[C@H](CCC)Oc1n[n-]c(=O)cc1Br	ZINC001226850828	775989901	/nfs/dbraw/zinc/98/99/01/775989901.db2.gz	WZAVIYXIFOUNNF-SSDOTTSWSA-N	-1	0	273.130	2.678	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccccc21	ZINC001226977872	776043799	/nfs/dbraw/zinc/04/37/99/776043799.db2.gz	VNUFLXAJGJKRBM-MFKMUULPSA-N	-1	0	254.289	2.516	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227095470	776093064	/nfs/dbraw/zinc/09/30/64/776093064.db2.gz	JOXLNFGNETWUMJ-SNVBAGLBSA-N	-1	0	289.291	2.977	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274106	776167952	/nfs/dbraw/zinc/16/79/52/776167952.db2.gz	LNJZYEXYICVCDG-CYBMUJFWSA-N	-1	0	293.326	2.873	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348551	776181275	/nfs/dbraw/zinc/18/12/75/776181275.db2.gz	ZFIKZQAVJGJIKP-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1C#N	ZINC001227609573	776240889	/nfs/dbraw/zinc/24/08/89/776240889.db2.gz	HSWGOVMRYWPPQN-MRVPVSSYSA-N	-1	0	298.327	2.804	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227611801	776242836	/nfs/dbraw/zinc/24/28/36/776242836.db2.gz	SHVYZGNQQRIOQS-JTQLQIEISA-N	-1	0	283.312	2.545	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc(=O)[n-]c2c1COC2	ZINC001227686688	776257512	/nfs/dbraw/zinc/25/75/12/776257512.db2.gz	UWWPHURYZOJURZ-UHIISALHSA-N	-1	0	290.363	2.972	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715814	776268497	/nfs/dbraw/zinc/26/84/97/776268497.db2.gz	HAHGAAUXUMMMHY-RKDXNWHRSA-N	-1	0	250.298	2.507	20	30		CFEDRM
C=CC[C@H](Oc1c[n-]c(C(=O)OC)cc1=O)c1ccccc1	ZINC001227785534	776288743	/nfs/dbraw/zinc/28/87/43/776288743.db2.gz	IBOAUOMIZPRLQX-HNNXBMFYSA-N	-1	0	299.326	2.858	20	30		CFEDRM
C=CC[C@H](Oc1nc(O)cc(=O)[n-]1)c1ccccc1	ZINC001228388293	776479396	/nfs/dbraw/zinc/47/93/96/776479396.db2.gz	GZXDLILBTQPYDW-NSHDSACASA-N	-1	0	258.277	2.584	20	30		CFEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2nc3cc(C)c(C)cc3nc21	ZINC001228686871	776567448	/nfs/dbraw/zinc/56/74/48/776567448.db2.gz	QONSBELSSFVPKO-SNVBAGLBSA-N	-1	0	296.330	2.849	20	30		CFEDRM
N#C[C@H]1CC[C@H](Nc2ncc(Cl)cc2C(=O)[O-])CC1	ZINC001167843641	776617384	/nfs/dbraw/zinc/61/73/84/776617384.db2.gz	AFIATOMDSKPROI-CZMCAQCFSA-N	-1	0	279.727	2.927	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2ccccc21	ZINC001228899479	776649448	/nfs/dbraw/zinc/64/94/48/776649448.db2.gz	XZXNKHWUVDJQIH-ZDUSSCGKSA-N	-1	0	252.273	2.725	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ccc2C#N)O1	ZINC001228901252	776651211	/nfs/dbraw/zinc/65/12/11/776651211.db2.gz	KNYMATAHYXGWCR-LRDDRELGSA-N	-1	0	288.347	2.940	20	30		CFEDRM
CCCC(=O)[C@H](CCC)Oc1[n-]c(=O)ccc1C#N	ZINC001228900545	776651285	/nfs/dbraw/zinc/65/12/85/776651285.db2.gz	FZMJAZIQLXIDDD-LBPRGKRZSA-N	-1	0	262.309	2.576	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCOc2ccccc21	ZINC001228901361	776651613	/nfs/dbraw/zinc/65/16/13/776651613.db2.gz	LKBQIGHAMAJKNN-CYBMUJFWSA-N	-1	0	268.272	2.561	20	30		CFEDRM
Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228903613	776653383	/nfs/dbraw/zinc/65/33/83/776653383.db2.gz	ZKPODCCCYKSQOM-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
C=CCC(CC=C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228969711	776672075	/nfs/dbraw/zinc/67/20/75/776672075.db2.gz	APKHJYYUAPOOJP-UHFFFAOYSA-N	-1	0	265.265	2.906	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229136509	776728513	/nfs/dbraw/zinc/72/85/13/776728513.db2.gz	CFJMLUDZLHEZHV-LLVKDONJSA-N	-1	0	286.331	2.915	20	30		CFEDRM
C[C@@H](Oc1ccc(O)c2c1C(=O)C=CC2=O)C1=CC=C[CH]1	ZINC001229407089	776802707	/nfs/dbraw/zinc/80/27/07/776802707.db2.gz	JJILORNILAXYLI-SNVBAGLBSA-N	-1	0	281.287	2.795	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229407820	776803069	/nfs/dbraw/zinc/80/30/69/776803069.db2.gz	PTIGFQIGWOFARH-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C[C@@H](C)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229795208	776894200	/nfs/dbraw/zinc/89/42/00/776894200.db2.gz	GOXJDFHZZFPAHQ-SSDOTTSWSA-N	-1	0	285.325	2.546	20	30		CFEDRM
CCC[C@H](C#Cc1ccccc1)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282188	776972838	/nfs/dbraw/zinc/97/28/38/776972838.db2.gz	QDZWFDHUQFDCRY-CQSZACIVSA-N	-1	0	298.342	2.796	20	30		CFEDRM
C#CC[C@@H](C)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230666342	777039411	/nfs/dbraw/zinc/03/94/11/777039411.db2.gz	JVDPTMHVENPOFT-SECBINFHSA-N	-1	0	268.272	2.872	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231072279	777131694	/nfs/dbraw/zinc/13/16/94/777131694.db2.gz	UEWZIPZZAJYMPT-SSDOTTSWSA-N	-1	0	287.703	2.867	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231348074	777198752	/nfs/dbraw/zinc/19/87/52/777198752.db2.gz	CLHYYKXFDXPHCZ-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
N#CCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1O	ZINC001231564932	777261784	/nfs/dbraw/zinc/26/17/84/777261784.db2.gz	KPRMAMRVPCPBMM-UHFFFAOYSA-N	-1	0	296.326	2.616	20	30		CFEDRM
C=C[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063943	777410634	/nfs/dbraw/zinc/41/06/34/777410634.db2.gz	MYDHAEVNRJUYNG-LURJTMIESA-N	-1	0	258.199	2.631	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)C1=C(C(=O)[O-])CCCC1	ZINC000688846521	777863003	/nfs/dbraw/zinc/86/30/03/777863003.db2.gz	MZXIOPCEECLRLC-UHFFFAOYSA-N	-1	0	291.269	2.519	20	30		CFEDRM
C=CCN(Cc1ccc(C(=O)[O-])s1)CC(F)(F)F	ZINC000688898265	777913151	/nfs/dbraw/zinc/91/31/51/777913151.db2.gz	YTMXTZACNDYAFL-UHFFFAOYSA-N	-1	0	279.283	2.997	20	30		CFEDRM
C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1C#N	ZINC001233589506	778000443	/nfs/dbraw/zinc/00/04/43/778000443.db2.gz	JWQZVSCUVXSXPB-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
N#CCc1cccc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000714360494	778006973	/nfs/dbraw/zinc/00/69/73/778006973.db2.gz	VFFGREXBHHPYHA-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
C#CC[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234044426	778150753	/nfs/dbraw/zinc/15/07/53/778150753.db2.gz	JZJWCMHCSCRNGD-JTQLQIEISA-N	-1	0	272.304	2.530	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234567571	778253416	/nfs/dbraw/zinc/25/34/16/778253416.db2.gz	HXSVFPFZEFUNDE-QMMMGPOBSA-N	-1	0	287.157	2.987	20	30		CFEDRM
C#C[C@H](Oc1ccccc1C=N[O-])c1ccncc1	ZINC001234819053	778301876	/nfs/dbraw/zinc/30/18/76/778301876.db2.gz	GQROAIVTJPXICN-AWEZNQCLSA-N	-1	0	252.273	2.643	20	30		CFEDRM
N#Cc1cc(N)ccc1Nc1ccc(O)c(F)c1F	ZINC001212013855	778327028	/nfs/dbraw/zinc/32/70/28/778327028.db2.gz	MOLUNFBFBJUUDE-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
C[C@@H](C#N)N(C)Cc1cc(F)cc(Br)c1[O-]	ZINC001235306297	778451906	/nfs/dbraw/zinc/45/19/06/778451906.db2.gz	SSNQWWHQGCYDRU-ZETCQYMHSA-N	-1	0	287.132	2.638	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1	ZINC000042279765	778548774	/nfs/dbraw/zinc/54/87/74/778548774.db2.gz	HQZUKFRNXVGKSX-UHFFFAOYSA-N	-1	0	291.328	2.743	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236056220	778671457	/nfs/dbraw/zinc/67/14/57/778671457.db2.gz	DPMHKCOKKNFUBV-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCOc1ccccc1-c1ccc(C(=O)[O-])cc1	ZINC001236061684	778673992	/nfs/dbraw/zinc/67/39/92/778673992.db2.gz	GPYZIKFFDZOAOW-UHFFFAOYSA-N	-1	0	253.257	2.954	20	30		CFEDRM
Cc1c(Cl)c(-c2ccnc(C#N)n2)ccc1C(=O)[O-]	ZINC001236107966	778697363	/nfs/dbraw/zinc/69/73/63/778697363.db2.gz	KJEOWQBGUOEPPQ-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
CS(=O)(=O)c1ccc(-c2ccccc2C=N[O-])cc1F	ZINC001236121324	778702094	/nfs/dbraw/zinc/70/20/94/778702094.db2.gz	LMJVHERXFUJEKZ-UHFFFAOYSA-N	-1	0	293.319	2.704	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000078527792	778845283	/nfs/dbraw/zinc/84/52/83/778845283.db2.gz	ADVNOUVFLDBUKB-JTQLQIEISA-N	-1	0	292.360	2.926	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@H]2CCCCO2)c1	ZINC000176393410	779122234	/nfs/dbraw/zinc/12/22/34/779122234.db2.gz	BOPSPRQLDPFOCH-GFCCVEGCSA-N	-1	0	274.320	2.552	20	30		CFEDRM
Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176400429	779123742	/nfs/dbraw/zinc/12/37/42/779123742.db2.gz	UKKKDUCXUVBXAN-MRVPVSSYSA-N	-1	0	285.303	2.611	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)o2)c1	ZINC000176399620	779123784	/nfs/dbraw/zinc/12/37/84/779123784.db2.gz	TVWRFMCXXBXLHP-UHFFFAOYSA-N	-1	0	262.652	2.763	20	30		CFEDRM
[O-]c1c(CN2CCC(S)CC2)cc(Cl)nc1Cl	ZINC001237539014	779128606	/nfs/dbraw/zinc/12/86/06/779128606.db2.gz	PCJRONAPZPQDBQ-UHFFFAOYSA-N	-1	0	293.219	2.988	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1CN1CCCC[C@H]1C#N	ZINC001238150180	779263548	/nfs/dbraw/zinc/26/35/48/779263548.db2.gz	VQMYUFKCMAXULP-AWEZNQCLSA-N	-1	0	258.321	2.571	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000130527597	779448554	/nfs/dbraw/zinc/44/85/54/779448554.db2.gz	JFHPCYNWTMNOAM-NSHDSACASA-N	-1	0	299.157	2.840	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2F)nc(C2CC2)n1	ZINC001239253710	779485427	/nfs/dbraw/zinc/48/54/27/779485427.db2.gz	BRCZIJHDCJAUEW-UHFFFAOYSA-N	-1	0	283.262	2.730	20	30		CFEDRM
Cc1[nH]c2ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc2c1C	ZINC000130626150	779486213	/nfs/dbraw/zinc/48/62/13/779486213.db2.gz	FZJCEMXCZKXSRD-AWEZNQCLSA-N	-1	0	297.358	2.632	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239261640	779490151	/nfs/dbraw/zinc/49/01/51/779490151.db2.gz	JUMPJKHDFTUFJQ-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239333403	779522893	/nfs/dbraw/zinc/52/28/93/779522893.db2.gz	NMNNVBVNTNKOGU-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ncc1C#N	ZINC001239333656	779524054	/nfs/dbraw/zinc/52/40/54/779524054.db2.gz	ZFFXVQDCWQRDDR-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239345873	779530728	/nfs/dbraw/zinc/53/07/28/779530728.db2.gz	IROAEZRDDWPEMX-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1ncc(-c2ccc(/C=N/[O-])c(F)c2)cc1F	ZINC001239517841	779601827	/nfs/dbraw/zinc/60/18/27/779601827.db2.gz	COXSKSMIEJMPMP-REZTVBANSA-N	-1	0	264.231	2.844	20	30		CFEDRM
N#Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)nc(C2CC2)n1	ZINC001240549077	780243822	/nfs/dbraw/zinc/24/38/22/780243822.db2.gz	XHQASKKLEZICKV-QPJJXVBHSA-N	-1	0	291.310	2.990	20	30		CFEDRM
COc1cc(-c2ccc3[nH]c(C#N)cc3n2)ccc1C(=O)[O-]	ZINC001240741443	780406750	/nfs/dbraw/zinc/40/67/50/780406750.db2.gz	KISYNPTTWLOYBQ-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
N#Cc1cccc(O)c1Nc1cc(F)cc(F)c1O	ZINC001212489633	780409150	/nfs/dbraw/zinc/40/91/50/780409150.db2.gz	VZBZHKQGTZAATN-UHFFFAOYSA-N	-1	0	262.215	2.991	20	30		CFEDRM
COc1cccc(-c2ccc(C(=O)[O-])c(OC)c2)c1C#N	ZINC001240744090	780409905	/nfs/dbraw/zinc/40/99/05/780409905.db2.gz	ZSXUKTVLZSNJHC-UHFFFAOYSA-N	-1	0	283.283	2.941	20	30		CFEDRM
COc1cc(-c2cc(C#N)cc(C#N)c2)ccc1C(=O)[O-]	ZINC001240745280	780410114	/nfs/dbraw/zinc/41/01/14/780410114.db2.gz	YSKCWARLSVZYEA-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
COc1cc(-c2cc(CC#N)cnc2F)ccc1C(=O)[O-]	ZINC001240746193	780410987	/nfs/dbraw/zinc/41/09/87/780410987.db2.gz	ZAXMGQRPBUKEJM-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])s2)c(F)cc1C#N	ZINC001240843060	780469927	/nfs/dbraw/zinc/46/99/27/780469927.db2.gz	DDQRSEDJZZTXOL-UHFFFAOYSA-N	-1	0	278.264	2.528	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240971817	780560266	/nfs/dbraw/zinc/56/02/66/780560266.db2.gz	KOWMRKOSLJAITP-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncccc1CC#N	ZINC001240999745	780583695	/nfs/dbraw/zinc/58/36/95/780583695.db2.gz	URCRFTSINWEHNE-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(C#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001240999781	780583729	/nfs/dbraw/zinc/58/37/29/780583729.db2.gz	VJIZXMCNEPAGNS-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)nc1	ZINC001241002266	780585969	/nfs/dbraw/zinc/58/59/69/780585969.db2.gz	VFONAWAIVZQRDT-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#Cc1cc2c(nc1-c1c(F)cc([O-])cc1F)CCOC2	ZINC001241120138	780648447	/nfs/dbraw/zinc/64/84/47/780648447.db2.gz	VBCIQRGVCPPBFJ-UHFFFAOYSA-N	-1	0	288.253	2.677	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])c(F)c3)c1-2	ZINC001241183943	780688736	/nfs/dbraw/zinc/68/87/36/780688736.db2.gz	JCQXJJSVNAQYCM-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(F)c2)ccc1CC#N	ZINC001241185343	780690084	/nfs/dbraw/zinc/69/00/84/780690084.db2.gz	UHRDBFFZKICLTP-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])c(F)c3)cnc12	ZINC001241186195	780691337	/nfs/dbraw/zinc/69/13/37/780691337.db2.gz	AZJCSODZJSNEHD-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1nc(-c2ccc(F)c(C(=O)[O-])c2)c(F)cc1C#N	ZINC001241244713	780728883	/nfs/dbraw/zinc/72/88/83/780728883.db2.gz	XKSNGNBNEXNLBB-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1c(F)ccc([O-])c1F	ZINC001241293988	780765126	/nfs/dbraw/zinc/76/51/26/780765126.db2.gz	HFIRFUPKRDNDLI-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
C=C/C(=N\COC)c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241347733	780801133	/nfs/dbraw/zinc/80/11/33/780801133.db2.gz	IRYOOVZIYBSOAV-SDNWHVSQSA-N	-1	0	253.685	2.617	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2cccc(C(=O)[O-])c2)n1	ZINC001241358410	780807846	/nfs/dbraw/zinc/80/78/46/780807846.db2.gz	YTRFTIJAJBMQRL-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3cccc(C(=O)[O-])c3)cc12	ZINC001241360110	780810418	/nfs/dbraw/zinc/81/04/18/780810418.db2.gz	FRCYZESTEMXMHY-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
CCCCCCCNC(=O)c1ccoc1CC(=O)[O-]	ZINC000703749655	781051174	/nfs/dbraw/zinc/05/11/74/781051174.db2.gz	YBTGYVVTEQMHTI-UHFFFAOYSA-N	-1	0	267.325	2.607	20	30		CFEDRM
CCCCCCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000703739099	781053785	/nfs/dbraw/zinc/05/37/85/781053785.db2.gz	LMFGSLMBEVZECC-STQMWFEESA-N	-1	0	284.400	2.709	20	30		CFEDRM
CN(C)/C=N/c1ccc(-c2cncc(C(=O)[O-])c2)cc1C#N	ZINC001241804505	781136322	/nfs/dbraw/zinc/13/63/22/781136322.db2.gz	XXSPQVDWSBEUPI-VXLYETTFSA-N	-1	0	294.314	2.540	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241816560	781141771	/nfs/dbraw/zinc/14/17/71/781141771.db2.gz	GTLYYPUFDJRCHW-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COC(=O)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001241827240	781145734	/nfs/dbraw/zinc/14/57/34/781145734.db2.gz	FCVALEKUPDPVQQ-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
CCCCCCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000705954190	781149889	/nfs/dbraw/zinc/14/98/89/781149889.db2.gz	PENOBQMTSAGOPR-UHFFFAOYSA-N	-1	0	284.400	2.899	20	30		CFEDRM
COc1ccc(-c2nc(C)ccc2C#N)cc1C(=O)[O-]	ZINC001241855215	781154844	/nfs/dbraw/zinc/15/48/44/781154844.db2.gz	QBHXEKQKIGIMIB-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2[nH]ccc3ncc(C#N)c2-3)cc1C(=O)[O-]	ZINC001241856415	781155540	/nfs/dbraw/zinc/15/55/40/781155540.db2.gz	QEYXHEJZRUWAPD-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(-c2nc3c(cc2C#N)CCC3)cc1C(=O)[O-]	ZINC001241862325	781157320	/nfs/dbraw/zinc/15/73/20/781157320.db2.gz	RSQQYHHHTZLXES-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
CCCCCCCNC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000707578602	781261362	/nfs/dbraw/zinc/26/13/62/781261362.db2.gz	XUDZTBFFIJZJPX-UHFFFAOYSA-N	-1	0	267.325	2.986	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(F)cc1[O-])CCOC2	ZINC001242217069	781332330	/nfs/dbraw/zinc/33/23/30/781332330.db2.gz	KXEOIMVMKWCUSK-UHFFFAOYSA-N	-1	0	270.263	2.538	20	30		CFEDRM
CC#Cc1cncc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242264664	781349229	/nfs/dbraw/zinc/34/92/29/781349229.db2.gz	YHMQVJAMWLSUCE-UHFFFAOYSA-N	-1	0	251.285	2.747	20	30		CFEDRM
C#Cc1ccc(-c2c(C)nc([O-])n([C@@H](C)CC)c2=O)cc1	ZINC001242294341	781374256	/nfs/dbraw/zinc/37/42/56/781374256.db2.gz	CEEIWDPULDDFGZ-NSHDSACASA-N	-1	0	282.343	2.877	20	30		CFEDRM
COc1cccc(-c2ccccc2C(=O)[O-])c1C#N	ZINC001242299410	781379936	/nfs/dbraw/zinc/37/99/36/781379936.db2.gz	KETHYHODPFOPSO-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])nc2)c2cc[nH]c21	ZINC001242336627	781407597	/nfs/dbraw/zinc/40/75/97/781407597.db2.gz	DCVAYGOCGBSMLJ-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2cccc(F)c2[O-])n1	ZINC001242349214	781421139	/nfs/dbraw/zinc/42/11/39/781421139.db2.gz	FKBPHGKSYKOXTQ-UHFFFAOYSA-N	-1	0	260.268	2.862	20	30		CFEDRM
N#Cc1cc2nc(-c3cccc(F)c3[O-])ccc2[nH]1	ZINC001242349644	781421361	/nfs/dbraw/zinc/42/13/61/781421361.db2.gz	UVRNUCPCIUHMED-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2F)nc(C2CC2)n1	ZINC001242380763	781450472	/nfs/dbraw/zinc/45/04/72/781450472.db2.gz	SNYZOECNSPWFEZ-UHFFFAOYSA-N	-1	0	283.262	2.730	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1cccc(C(=O)[O-])c1F	ZINC001242382072	781451698	/nfs/dbraw/zinc/45/16/98/781451698.db2.gz	NTSLSJLHTMSYGH-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C)ccc1C#N	ZINC001242386928	781457003	/nfs/dbraw/zinc/45/70/03/781457003.db2.gz	CLSDZAADXLECEY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(C)n1	ZINC001242389168	781458083	/nfs/dbraw/zinc/45/80/83/781458083.db2.gz	BSVLFCUUCJPRRC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2ccccc2S(=O)(=O)[O-])c(C#N)c1	ZINC001242592270	781625288	/nfs/dbraw/zinc/62/52/88/781625288.db2.gz	XRKHAUBASREWCV-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cccc([S-])c2)nc1	ZINC001242864599	781809545	/nfs/dbraw/zinc/80/95/45/781809545.db2.gz	LNDRERIOBLDXHY-UHFFFAOYSA-N	-1	0	270.357	2.953	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccccc3C(=O)[O-])ccc12	ZINC001242876996	781815541	/nfs/dbraw/zinc/81/55/41/781815541.db2.gz	OJBOASIIOLIHJO-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccccc2C(=O)[O-])n1	ZINC001242877187	781816594	/nfs/dbraw/zinc/81/65/94/781816594.db2.gz	VUMOGBJBASZEFY-UHFFFAOYSA-N	-1	0	270.288	2.715	20	30		CFEDRM
CCc1nnc(-c2ccccc2C(=O)[O-])c(C#N)c1CC	ZINC001242878977	781818218	/nfs/dbraw/zinc/81/82/18/781818218.db2.gz	PLWKMGZPYVMNIF-UHFFFAOYSA-N	-1	0	281.315	2.838	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C)ccc1C#N	ZINC001242921074	781842373	/nfs/dbraw/zinc/84/23/73/781842373.db2.gz	QKLPXIGGEAFLRA-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C[C@H](Nc1cccc(C#N)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594540969	349444084	/nfs/dbraw/zinc/44/40/84/349444084.db2.gz	NTGJJEJBHZREIU-ZMLRMANQSA-N	-1	0	273.336	2.501	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(NC[C@@H](C)C(=O)[O-])c2c1	ZINC000594541126	349444218	/nfs/dbraw/zinc/44/42/18/349444218.db2.gz	PFKIUHMMDBBJJO-LLVKDONJSA-N	-1	0	297.358	2.784	20	30		CFEDRM
Cc1cocc1-c1ccc(N2CC(C(=O)[O-])C2)c(C#N)c1	ZINC000594872106	349491703	/nfs/dbraw/zinc/49/17/03/349491703.db2.gz	PCVFHXRPKBDSIQ-UHFFFAOYSA-N	-1	0	282.299	2.648	20	30		CFEDRM
CCCN=c1[n-]nc(SCC2(CC#N)CC2)s1	ZINC000594881589	349492576	/nfs/dbraw/zinc/49/25/76/349492576.db2.gz	KSPJJKBHZSEWLP-UHFFFAOYSA-N	-1	0	268.411	2.568	20	30		CFEDRM
C=CCCSCCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000595243642	349586335	/nfs/dbraw/zinc/58/63/35/349586335.db2.gz	DKTVVEMDBSJCFA-UHFFFAOYSA-N	-1	0	297.351	2.563	20	30		CFEDRM
N#Cc1nc(N2CCC(CCC(=O)[O-])CC2)ccc1Cl	ZINC000595967983	349772929	/nfs/dbraw/zinc/77/29/29/349772929.db2.gz	MSCGKKLFVCVQMZ-UHFFFAOYSA-N	-1	0	293.754	2.688	20	30		CFEDRM
C[C@H]1CCN(c2cccc(Cl)c2C#N)C[C@@H]1C(=O)[O-]	ZINC000595969998	349773026	/nfs/dbraw/zinc/77/30/26/349773026.db2.gz	SZSSNAAJCJUWMX-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1cc2c(nc1NC[C@H](C(=O)[O-])C1CCC1)CCCC2	ZINC000595977643	349773841	/nfs/dbraw/zinc/77/38/41/349773841.db2.gz	MUATXGPLOGCGKD-AWEZNQCLSA-N	-1	0	299.374	2.745	20	30		CFEDRM
Cc1c(Cl)cnc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1C#N	ZINC000595972345	349773893	/nfs/dbraw/zinc/77/38/93/349773893.db2.gz	ASYBPMGPEIKJKI-WPRPVWTQSA-N	-1	0	293.754	2.605	20	30		CFEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1(C#N)CCCCC1	ZINC000595988375	349774622	/nfs/dbraw/zinc/77/46/22/349774622.db2.gz	IEIABGYPCNYOJE-QWHCGFSZSA-N	-1	0	292.379	2.562	20	30		CFEDRM
CSc1nc(=NC(=O)N2CC[C@@H]3CCC[C@@H]32)s[n-]1	ZINC000330247285	295690944	/nfs/dbraw/zinc/69/09/44/295690944.db2.gz	LPQZHEIYBQGGRM-YUMQZZPRSA-N	-1	0	284.410	2.680	20	30		CFEDRM
CC[C@@H](N=c1[n-]c(C#N)c(Cl)s1)[C@@H]1CCCCO1	ZINC000596296988	349855745	/nfs/dbraw/zinc/85/57/45/349855745.db2.gz	ORNUQUTXDRKQRS-SCZZXKLOSA-N	-1	0	285.800	2.850	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(C(F)(F)F)s2)CCCCC1	ZINC000596499609	349921136	/nfs/dbraw/zinc/92/11/36/349921136.db2.gz	TZIZEIPYJSWQJQ-UHFFFAOYSA-N	-1	0	290.314	2.865	20	30		CFEDRM
CC1(C)CCC(O)(CN=c2[n-]c(C#N)c(Cl)s2)CC1	ZINC000596512306	349926124	/nfs/dbraw/zinc/92/61/24/349926124.db2.gz	DBMDWPSZPRYTLS-UHFFFAOYSA-N	-1	0	299.827	2.833	20	30		CFEDRM
Cc1c(C(=O)[N-]S(C)(=O)=O)sc2cccc(F)c12	ZINC000042279655	346363305	/nfs/dbraw/zinc/36/33/05/346363305.db2.gz	JJNLVGMNVNKXEU-UHFFFAOYSA-N	-1	0	287.337	2.613	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(C#N)c(Cl)c1	ZINC000061845391	346684771	/nfs/dbraw/zinc/68/47/71/346684771.db2.gz	CATKAWVEIZYXHG-NSHDSACASA-N	-1	0	252.701	2.511	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(C#N)nc1)CC(=O)[O-]	ZINC000129127824	347857838	/nfs/dbraw/zinc/85/78/38/347857838.db2.gz	IVYSBPHXQQXRBW-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
N#Cc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254825503	348302512	/nfs/dbraw/zinc/30/25/12/348302512.db2.gz	JHWIEAFZLFHCJM-UHFFFAOYSA-N	-1	0	267.244	2.923	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2ccccc2C(C)(C)C)c1C#N	ZINC000588717737	348792713	/nfs/dbraw/zinc/79/27/13/348792713.db2.gz	ZYJLQTMYTGRTEI-UHFFFAOYSA-N	-1	0	282.347	2.562	20	30		CFEDRM
CCCc1nc(=N[C@@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000589688646	348850210	/nfs/dbraw/zinc/85/02/10/348850210.db2.gz	ZBBPGERSRHFGSO-JTQLQIEISA-N	-1	0	272.377	2.957	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NCCCCC(=O)[O-])c2c1	ZINC000591326673	349010362	/nfs/dbraw/zinc/01/03/62/349010362.db2.gz	ADPOVYLZGSTCSI-UHFFFAOYSA-N	-1	0	283.331	2.504	20	30		CFEDRM
C=CCN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1	ZINC000273484784	192169969	/nfs/dbraw/zinc/16/99/69/192169969.db2.gz	MFEVWKUDMBSGSP-UHFFFAOYSA-N	-1	0	271.238	2.600	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)nc3ccccc32)C1	ZINC000591561561	349029742	/nfs/dbraw/zinc/02/97/42/349029742.db2.gz	JTQJWSIHBKSAJI-NEPJUHHUSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000592419746	349117766	/nfs/dbraw/zinc/11/77/66/349117766.db2.gz	SPLXSSGXNHJVDH-UHFFFAOYSA-N	-1	0	295.342	2.798	20	30		CFEDRM
CC[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000592421604	349118803	/nfs/dbraw/zinc/11/88/03/349118803.db2.gz	XRFHVMSYPOJWLP-JTQLQIEISA-N	-1	0	261.325	2.526	20	30		CFEDRM
Cc1c(C#N)c(=NC(=O)c2cccc(C3CCC3)c2)[n-]n1C	ZINC000592651025	349145801	/nfs/dbraw/zinc/14/58/01/349145801.db2.gz	SMIATYQORRBFDK-UHFFFAOYSA-N	-1	0	294.358	2.542	20	30		CFEDRM
C=CCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000592976724	349179653	/nfs/dbraw/zinc/17/96/53/349179653.db2.gz	PDTKRATXTJEVDW-UHFFFAOYSA-N	-1	0	264.281	2.600	20	30		CFEDRM
C=CCCCCCNS(=O)(=O)c1ccsc1C#N	ZINC000594473980	349427579	/nfs/dbraw/zinc/42/75/79/349427579.db2.gz	BENQLSPUUOIXIS-UHFFFAOYSA-N	-1	0	284.406	2.644	20	30		CFEDRM
C[C@@H](CC#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000597520874	350107898	/nfs/dbraw/zinc/10/78/98/350107898.db2.gz	MIYXIZVXNAHGLO-LURJTMIESA-N	-1	0	256.664	2.673	20	30		CFEDRM
N#CCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000597696687	350124976	/nfs/dbraw/zinc/12/49/76/350124976.db2.gz	XBVFFGFTRWKJPC-UHFFFAOYSA-N	-1	0	284.319	2.805	20	30		CFEDRM
C[C@]1(C#N)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000598416729	350263982	/nfs/dbraw/zinc/26/39/82/350263982.db2.gz	DCKDRQZVLXTDJQ-CYBMUJFWSA-N	-1	0	282.702	2.560	20	30		CFEDRM
CC1(C)CC(C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(C)(C)C1	ZINC000598661169	350305684	/nfs/dbraw/zinc/30/56/84/350305684.db2.gz	HNKWZRHVWYTUFN-UHFFFAOYSA-N	-1	0	299.378	2.944	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1CCC(C2CC2)CC1	ZINC000598734216	350322588	/nfs/dbraw/zinc/32/25/88/350322588.db2.gz	ILTGVYZGPUAKHC-UHFFFAOYSA-N	-1	0	298.390	2.736	20	30		CFEDRM
CCCC[C@@H](Sc1ccc(C#N)nc1)C(=O)[O-]	ZINC000600674702	350594891	/nfs/dbraw/zinc/59/48/91/350594891.db2.gz	GNLNIMGGNOHJDU-LLVKDONJSA-N	-1	0	250.323	2.689	20	30		CFEDRM
Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1C	ZINC000601945822	350813861	/nfs/dbraw/zinc/81/38/61/350813861.db2.gz	BHCFYVAQWMLXQI-SSDOTTSWSA-N	-1	0	292.136	2.679	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C#N)cc1F	ZINC000601987504	350823752	/nfs/dbraw/zinc/82/37/52/350823752.db2.gz	HIKJWRIFBZXJAX-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
N#Cc1cccc(-c2cc(=O)n(C3CCCCC3)[n-]2)c1	ZINC000601935279	350807450	/nfs/dbraw/zinc/80/74/50/350807450.db2.gz	SJXLTOZFICQHMU-UHFFFAOYSA-N	-1	0	267.332	2.827	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)ccc2F)c(=O)c1CCC#N	ZINC000601944456	350812566	/nfs/dbraw/zinc/81/25/66/350812566.db2.gz	HBPKIELHRQGWMH-NSHDSACASA-N	-1	0	259.284	2.777	20	30		CFEDRM
Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1C	ZINC000601945824	350813780	/nfs/dbraw/zinc/81/37/80/350813780.db2.gz	BHCFYVAQWMLXQI-ZETCQYMHSA-N	-1	0	292.136	2.679	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(C#N)c1C	ZINC000601994630	350825370	/nfs/dbraw/zinc/82/53/70/350825370.db2.gz	YJZAFGRLDSGRLP-HNNXBMFYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCC(C)(C)CCC#N)o1	ZINC000603378074	351150801	/nfs/dbraw/zinc/15/08/01/351150801.db2.gz	WNXGAILTELBBMK-UHFFFAOYSA-N	-1	0	264.373	2.921	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1ncc(C(C)C)s1	ZINC000291946253	198112905	/nfs/dbraw/zinc/11/29/05/198112905.db2.gz	YZKSDSJHWKRZIH-UHFFFAOYSA-N	-1	0	274.411	2.974	20	30		CFEDRM
CC(C)CCn1nccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000615423309	352192108	/nfs/dbraw/zinc/19/21/08/352192108.db2.gz	XONAKUHRNASNIZ-UHFFFAOYSA-N	-1	0	298.346	2.759	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2c([O-])cc(F)cc2F)[C@@H]1C#N	ZINC000618037998	352703127	/nfs/dbraw/zinc/70/31/27/352703127.db2.gz	VNKDBYYUIVGECD-GFCCVEGCSA-N	-1	0	294.301	2.825	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000621538116	353376094	/nfs/dbraw/zinc/37/60/94/353376094.db2.gz	GJGWXRPDGCPWTJ-GFCCVEGCSA-N	-1	0	291.347	2.625	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000158410606	188374593	/nfs/dbraw/zinc/37/45/93/188374593.db2.gz	YOCXARDSJLSAGI-UHFFFAOYSA-N	-1	0	261.306	2.605	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1	ZINC000626312150	354249068	/nfs/dbraw/zinc/24/90/68/354249068.db2.gz	HKYOEDLFRCRLGB-JTQLQIEISA-N	-1	0	294.424	2.687	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000630229549	355030349	/nfs/dbraw/zinc/03/03/49/355030349.db2.gz	RORPDDPBYCQQMC-HAQNSBGRSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCC1(CNC(=O)C[C@@H](C)CC(=O)[O-])CCCC1	ZINC000630291286	355040617	/nfs/dbraw/zinc/04/06/17/355040617.db2.gz	ACBQFOSQEUJEGT-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630183463	355024432	/nfs/dbraw/zinc/02/44/32/355024432.db2.gz	XFVFNAHPZGDXOL-DZGCQCFKSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630182285	355024618	/nfs/dbraw/zinc/02/46/18/355024618.db2.gz	NDZFPISHKYMJKO-TZMCWYRMSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)NC(C)(C)C(=O)[O-])c1	ZINC000679558715	540086883	/nfs/dbraw/zinc/08/68/83/540086883.db2.gz	OLWCRDARWIWUQM-UHFFFAOYSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C(=O)[O-])ccn1	ZINC000630314471	355048924	/nfs/dbraw/zinc/04/89/24/355048924.db2.gz	SLZNWJLQIJUGIG-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000630318530	355049318	/nfs/dbraw/zinc/04/93/18/355049318.db2.gz	IBKIHJYKQNXATQ-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)[O-]	ZINC000630319064	355049981	/nfs/dbraw/zinc/04/99/81/355049981.db2.gz	RJWNMVHEUSONMC-AWEZNQCLSA-N	-1	0	292.379	2.835	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000630320022	355050084	/nfs/dbraw/zinc/05/00/84/355050084.db2.gz	NDLQCTVRQWFVSA-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000630319720	355050159	/nfs/dbraw/zinc/05/01/59/355050159.db2.gz	GPOZOGNFXCSJAT-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)cc(Cl)c1)C(=O)[O-]	ZINC000630320200	355050821	/nfs/dbraw/zinc/05/08/21/355050821.db2.gz	QQHBMXJNIYQEEM-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630320586	355050824	/nfs/dbraw/zinc/05/08/24/355050824.db2.gz	ZYJFQVWMKZPBPJ-HNNXBMFYSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000630323902	355051470	/nfs/dbraw/zinc/05/14/70/355051470.db2.gz	BLDKULKTYJAXIX-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000630322150	355051624	/nfs/dbraw/zinc/05/16/24/355051624.db2.gz	QAPMSKGZZHLHBR-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)[O-]	ZINC000630325069	355052437	/nfs/dbraw/zinc/05/24/37/355052437.db2.gz	GZPINSDISXMSNS-YVARQFDVSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000630326730	355053019	/nfs/dbraw/zinc/05/30/19/355053019.db2.gz	SIIBBOJEVPZWNB-SWLSCSKDSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(F)c(C)c1)C(=O)[O-]	ZINC000630543751	355107601	/nfs/dbraw/zinc/10/76/01/355107601.db2.gz	CZSPIMNYWOZXIE-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)c(F)c1)C(=O)[O-]	ZINC000630545780	355108056	/nfs/dbraw/zinc/10/80/56/355108056.db2.gz	PODXDPIOLNWMJY-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000630551599	355110580	/nfs/dbraw/zinc/11/05/80/355110580.db2.gz	XDBFFOBPOYXSAG-JTQLQIEISA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000630495668	355095138	/nfs/dbraw/zinc/09/51/38/355095138.db2.gz	RNDIPWNLOIEHMN-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCC(C)(C)CN=c1[n-]c(COC)ns1	ZINC000631450154	355441292	/nfs/dbraw/zinc/44/12/92/355441292.db2.gz	HOWVNTXHERVSJO-UHFFFAOYSA-N	-1	0	255.387	2.511	20	30		CFEDRM
C=C(C)CN(C)C(=O)Cc1ccc(O)c(Cl)c1	ZINC000632324515	355689070	/nfs/dbraw/zinc/68/90/70/355689070.db2.gz	AJHSECSVRBDEQK-UHFFFAOYSA-N	-1	0	253.729	2.623	20	30		CFEDRM
CCCCCSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000180736899	189272485	/nfs/dbraw/zinc/27/24/85/189272485.db2.gz	UCCJQTOMDGEQSK-UHFFFAOYSA-N	-1	0	276.365	2.730	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000393735078	541019252	/nfs/dbraw/zinc/01/92/52/541019252.db2.gz	IHCZZSQDGSUJKJ-CYBMUJFWSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CC(=Cc1ccc(C#N)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435340780	240303769	/nfs/dbraw/zinc/30/37/69/240303769.db2.gz	NBDXKYQWQUTBGK-YRNVUSSQSA-N	-1	0	290.326	2.691	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000675966350	541712563	/nfs/dbraw/zinc/71/25/63/541712563.db2.gz	LXEVFFKWCIQDSX-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000676001514	541716159	/nfs/dbraw/zinc/71/61/59/541716159.db2.gz	LVQPGPGOXCKWSS-SECBINFHSA-N	-1	0	297.738	2.958	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000019402680	372159793	/nfs/dbraw/zinc/15/97/93/372159793.db2.gz	QSJVQQUNNUGEQE-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
N#Cc1nc(NC(=O)CCCC2CCCCC2)[n-]c1C#N	ZINC000026267320	372316716	/nfs/dbraw/zinc/31/67/16/372316716.db2.gz	KXADNNFUGPWPIF-UHFFFAOYSA-N	-1	0	285.351	2.842	20	30		CFEDRM
C=CCN(CC=C)C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000035721007	372550267	/nfs/dbraw/zinc/55/02/67/372550267.db2.gz	RDNWNLNMKMUOJW-UHFFFAOYSA-N	-1	0	265.353	2.612	20	30		CFEDRM
CC(C)(C)c1csc(NC(=O)CCC(=O)[O-])c1C#N	ZINC000041580167	372850696	/nfs/dbraw/zinc/85/06/96/372850696.db2.gz	LTWSGKQUJRGZQU-UHFFFAOYSA-N	-1	0	280.349	2.721	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)c(F)c1	ZINC000043584841	372993666	/nfs/dbraw/zinc/99/36/66/372993666.db2.gz	NMDRQUNTGFHZEV-LLVKDONJSA-N	-1	0	276.311	2.779	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)C1CCC1	ZINC000048518879	373194438	/nfs/dbraw/zinc/19/44/38/373194438.db2.gz	FQBNVIBFSVVUJX-UHFFFAOYSA-N	-1	0	273.741	2.785	20	30		CFEDRM
CC[C@@H](CC(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000451724068	383691203	/nfs/dbraw/zinc/69/12/03/383691203.db2.gz	KSYWGFKCANBOFU-JTQLQIEISA-N	-1	0	274.368	2.591	20	30		CFEDRM
C#C[C@H](NC(=O)C(F)(F)CC=C)c1ccc(F)cc1	ZINC000491221361	261376408	/nfs/dbraw/zinc/37/64/08/261376408.db2.gz	VYYQKBPHQYNRNP-LBPRGKRZSA-N	-1	0	267.250	2.828	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2ccc(C#N)c(Cl)c2)CC1	ZINC000062843598	373767901	/nfs/dbraw/zinc/76/79/01/373767901.db2.gz	BQHTZEGEEOXQKA-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cc(C(=O)[O-])cs1	ZINC000378729147	781964484	/nfs/dbraw/zinc/96/44/84/781964484.db2.gz	KETKUGUFXMPUIF-UCUMMZLBSA-N	-1	0	259.714	2.939	20	30		CFEDRM
N#CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1	ZINC000089531815	374920212	/nfs/dbraw/zinc/92/02/12/374920212.db2.gz	ZILMHIYKIALYHT-UHFFFAOYSA-N	-1	0	289.291	2.713	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000094703534	375374926	/nfs/dbraw/zinc/37/49/26/375374926.db2.gz	QCVWDLCPWADFME-NSHDSACASA-N	-1	0	264.300	2.856	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000678980065	542105189	/nfs/dbraw/zinc/10/51/89/542105189.db2.gz	YXTLVYSZDFPASQ-GOSISDBHSA-N	-1	0	299.370	2.797	20	30		CFEDRM
C=C[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000330455152	378560582	/nfs/dbraw/zinc/56/05/82/378560582.db2.gz	MVEXMLNHXMHZOK-GFCCVEGCSA-N	-1	0	262.309	2.841	20	30		CFEDRM
CCn1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)c1C	ZINC000330456680	378560991	/nfs/dbraw/zinc/56/09/91/378560991.db2.gz	OBKHDQADDZRKDV-LLVKDONJSA-N	-1	0	288.376	2.775	20	30		CFEDRM
C=C[C@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000330455156	378561341	/nfs/dbraw/zinc/56/13/41/378561341.db2.gz	MVEXMLNHXMHZOK-LBPRGKRZSA-N	-1	0	262.309	2.841	20	30		CFEDRM
C=CCN(C(=O)CC1(CC(=O)[O-])CCCC1)C1CC1	ZINC000165195060	379033970	/nfs/dbraw/zinc/03/39/70/379033970.db2.gz	FDVPWWRKTGCWHW-UHFFFAOYSA-N	-1	0	265.353	2.589	20	30		CFEDRM
O=C([O-])CNN=Cc1c(Cl)ccc(Cl)c1Cl	ZINC000378873333	781968661	/nfs/dbraw/zinc/96/86/61/781968661.db2.gz	UBBLZQRGMIHOKM-UHFFFAOYSA-N	-1	0	281.526	2.655	20	30		CFEDRM
CC#CCN(C)C(=O)c1ccc2ccccc2c1O	ZINC000335203088	380001733	/nfs/dbraw/zinc/00/17/33/380001733.db2.gz	TUOABVWGIUOTHT-UHFFFAOYSA-N	-1	0	253.301	2.641	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000335907272	380086808	/nfs/dbraw/zinc/08/68/08/380086808.db2.gz	UFYQDBIMJCQKSQ-MRVPVSSYSA-N	-1	0	285.265	2.990	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529699263	383748713	/nfs/dbraw/zinc/74/87/13/383748713.db2.gz	SEVONGITZBEQGC-LBPRGKRZSA-N	-1	0	265.382	2.552	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2csnc2C)n1	ZINC000180439796	380661019	/nfs/dbraw/zinc/66/10/19/380661019.db2.gz	AFQQYIYIDIFLOG-QMMMGPOBSA-N	-1	0	263.347	2.707	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2C#N)c1F	ZINC000181060184	380732407	/nfs/dbraw/zinc/73/24/07/380732407.db2.gz	WIVKKZYREYWUCA-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)Cc2ccccc2)c1C#N	ZINC000181144213	380748297	/nfs/dbraw/zinc/74/82/97/380748297.db2.gz	HZKAYCLOWNTDAZ-UHFFFAOYSA-N	-1	0	286.356	2.809	20	30		CFEDRM
CC(C)c1nc(/C=C\c2cc(C#N)n(C)c2)ncc1C(=O)[O-]	ZINC000358660691	380997048	/nfs/dbraw/zinc/99/70/48/380997048.db2.gz	LPJTVGVKGJPTPG-PLNGDYQASA-N	-1	0	296.330	2.679	20	30		CFEDRM
CCN=c1[n-]nc(SCc2ccc(CC#N)cc2)s1	ZINC000342199155	381217567	/nfs/dbraw/zinc/21/75/67/381217567.db2.gz	DEGTWHOQUSTHRR-UHFFFAOYSA-N	-1	0	290.417	2.750	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1nc(CCC)[n-]s1	ZINC000342354667	381292118	/nfs/dbraw/zinc/29/21/18/381292118.db2.gz	MPKUAXLSFGBNLH-UHFFFAOYSA-N	-1	0	265.382	2.619	20	30		CFEDRM
COCCC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000183621211	381294722	/nfs/dbraw/zinc/29/47/22/381294722.db2.gz	RDKUNWJWUDQGLM-OQLLNIDSSA-N	-1	0	280.324	2.782	20	30		CFEDRM
CCc1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354454763	381279647	/nfs/dbraw/zinc/27/96/47/381279647.db2.gz	AFIDHEWKADFFAW-SNVBAGLBSA-N	-1	0	257.318	2.591	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000184835106	381485663	/nfs/dbraw/zinc/48/56/63/381485663.db2.gz	OTFOJEGTURJRBC-SECBINFHSA-N	-1	0	264.281	2.841	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1cccc(C(=O)[O-])c1	ZINC000349109592	381825714	/nfs/dbraw/zinc/82/57/14/381825714.db2.gz	NJZBDCBCEYQNAD-SNAWJCMRSA-N	-1	0	250.257	2.822	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O	ZINC000416957020	381978135	/nfs/dbraw/zinc/97/81/35/381978135.db2.gz	KTNWEKXQAPMYBB-SNVBAGLBSA-N	-1	0	296.392	2.734	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000375756350	382100234	/nfs/dbraw/zinc/10/02/34/382100234.db2.gz	IHCSKOSFEBNVFT-LBPRGKRZSA-N	-1	0	292.389	2.567	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1cccc(OCCC(=O)[O-])c1	ZINC000352022535	382135359	/nfs/dbraw/zinc/13/53/59/382135359.db2.gz	ZADJGTZLZSEZIB-VOTSOKGWSA-N	-1	0	294.310	2.977	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccccc1	ZINC000357565822	382228658	/nfs/dbraw/zinc/22/86/58/382228658.db2.gz	KUCQOXHOXLRDKR-VURMDHGXSA-N	-1	0	250.257	2.822	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000345951909	382323990	/nfs/dbraw/zinc/32/39/90/382323990.db2.gz	DZNQKQPDEYAGGK-TZMCWYRMSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#CCN(C(=O)c1c([O-])cccc1F)C1CCCC1	ZINC000188033277	382328749	/nfs/dbraw/zinc/32/87/49/382328749.db2.gz	GQTANHBWHZNSCA-UHFFFAOYSA-N	-1	0	261.296	2.549	20	30		CFEDRM
CC(=O)c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000188234357	382373006	/nfs/dbraw/zinc/37/30/06/382373006.db2.gz	GAHWKSYHTYCNBO-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
N#CCCCCN=c1nc(C2CCCC2)[n-]s1	ZINC000420580212	382410730	/nfs/dbraw/zinc/41/07/30/382410730.db2.gz	DZDWZKPMYBNEES-UHFFFAOYSA-N	-1	0	250.371	2.723	20	30		CFEDRM
CC[C@@H]1CCCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000188425801	382411923	/nfs/dbraw/zinc/41/19/23/382411923.db2.gz	SZWQBBDGHLOXFT-GFCCVEGCSA-N	-1	0	272.348	2.916	20	30		CFEDRM
C=CCCC[C@@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000398181894	382635364	/nfs/dbraw/zinc/63/53/64/382635364.db2.gz	ONIUFAWOYNXCGI-SECBINFHSA-N	-1	0	279.296	2.845	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000398254920	382635396	/nfs/dbraw/zinc/63/53/96/382635396.db2.gz	PVOAVPLXDXZXTP-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
CC(C)c1nc(/C=C/c2cc(C#N)n(C)c2)ncc1C(=O)[O-]	ZINC000191302690	382698075	/nfs/dbraw/zinc/69/80/75/382698075.db2.gz	LPJTVGVKGJPTPG-SNAWJCMRSA-N	-1	0	296.330	2.679	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000192881431	382713211	/nfs/dbraw/zinc/71/32/11/382713211.db2.gz	IKOKTKDYPWLDRX-ZFWWWQNUSA-N	-1	0	289.375	2.648	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1	ZINC000193478531	382720300	/nfs/dbraw/zinc/72/03/00/382720300.db2.gz	LYVUVSYZCZWBPL-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-]	ZINC000577929182	382875286	/nfs/dbraw/zinc/87/52/86/382875286.db2.gz	OVLAKAWKAWNVQJ-UHFFFAOYSA-N	-1	0	297.376	2.710	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447798880	383006645	/nfs/dbraw/zinc/00/66/45/383006645.db2.gz	BUHVQAFVGONFPP-JTQLQIEISA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Sc1ccccc1)C(=O)[O-]	ZINC000448993798	383125326	/nfs/dbraw/zinc/12/53/26/383125326.db2.gz	NJVFLACGRWEKOJ-YPMHNXCESA-N	-1	0	293.388	2.703	20	30		CFEDRM
N#C[C@H](NC(=O)CCc1ccc2ccccc2c1O)C1CC1	ZINC000448944850	383112546	/nfs/dbraw/zinc/11/25/46/383112546.db2.gz	UCFZHLUVMZHWMS-INIZCTEOSA-N	-1	0	294.354	2.896	20	30		CFEDRM
C=CCCCCCN=c1[n-]c([C@H](C)OC)ns1	ZINC000566482712	383188145	/nfs/dbraw/zinc/18/81/45/383188145.db2.gz	INLCADBWGPNCFY-JTQLQIEISA-N	-1	0	255.387	2.826	20	30		CFEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000556698061	383152344	/nfs/dbraw/zinc/15/23/44/383152344.db2.gz	YCXRVKPNEFXEKT-SNVBAGLBSA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634886424	383391722	/nfs/dbraw/zinc/39/17/22/383391722.db2.gz	HXODCYGOMJWTEW-HNNXBMFYSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=CC1CCN(C(=O)CC(CC)(CC)C(=O)[O-])CC1	ZINC000634904048	383398588	/nfs/dbraw/zinc/39/85/88/383398588.db2.gz	FHZQIJSPMGNTDE-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634907131	383399304	/nfs/dbraw/zinc/39/93/04/383399304.db2.gz	GDIUKMYBFOJWRF-CQSZACIVSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCN(C)C(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634914101	383401952	/nfs/dbraw/zinc/40/19/52/383401952.db2.gz	LUNGIPJZPDZKLB-SECBINFHSA-N	-1	0	299.729	2.682	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634916047	383402929	/nfs/dbraw/zinc/40/29/29/383402929.db2.gz	NJUVDGNEMSBDMI-FZMZJTMJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634927563	383407483	/nfs/dbraw/zinc/40/74/83/383407483.db2.gz	SQSGOXIZDQTOIT-APIJFGDWSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC000634928303	383408248	/nfs/dbraw/zinc/40/82/48/383408248.db2.gz	KDZOTKTVUCUFJQ-MJBXVCDLSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@](C)(CC)CC(=O)[O-])C1	ZINC000634928548	383408255	/nfs/dbraw/zinc/40/82/55/383408255.db2.gz	PLHKVLMUULNSHZ-SWLSCSKDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634838594	383374448	/nfs/dbraw/zinc/37/44/48/383374448.db2.gz	LYHCEOBEKMEZSZ-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634845087	383378310	/nfs/dbraw/zinc/37/83/10/383378310.db2.gz	ZCTLJBZZDOXOON-AWEZNQCLSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000634854323	383382875	/nfs/dbraw/zinc/38/28/75/383382875.db2.gz	WUFHPIFRTPGWGJ-QWHCGFSZSA-N	-1	0	293.388	2.764	20	30		CFEDRM
C=CCn1c(CC(C)C)n[n-]c1=Nc1cccc(OC)c1	ZINC000569038051	383462455	/nfs/dbraw/zinc/46/24/55/383462455.db2.gz	XDJNZHCWPRTZMM-UHFFFAOYSA-N	-1	0	286.379	2.837	20	30		CFEDRM
C=CCC[C@H](NC(=O)CO[C@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000569021978	383462645	/nfs/dbraw/zinc/46/26/45/383462645.db2.gz	PSEXWNNKDUUMOZ-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCc1ccccc1NCc1cc(C(=O)[O-])nn1C	ZINC000635314388	383531811	/nfs/dbraw/zinc/53/18/11/383531811.db2.gz	WGWYTKLJYYTORR-UHFFFAOYSA-N	-1	0	285.347	2.849	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000635519749	383576845	/nfs/dbraw/zinc/57/68/45/383576845.db2.gz	TVQLODXKUCAGNR-NWDGAFQWSA-N	-1	0	282.384	2.531	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncnc2)s1	ZINC000430593044	383594571	/nfs/dbraw/zinc/59/45/71/383594571.db2.gz	RWLIODXWHTYMDU-SNVBAGLBSA-N	-1	0	286.360	2.721	20	30		CFEDRM
Cn1nccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000430583199	383594635	/nfs/dbraw/zinc/59/46/35/383594635.db2.gz	MOLCGCFDKWAVGL-VIFPVBQESA-N	-1	0	288.376	2.664	20	30		CFEDRM
CC(=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000570469168	383606817	/nfs/dbraw/zinc/60/68/17/383606817.db2.gz	AJUDCIWZKSBFSX-VQHVLOKHSA-N	-1	0	269.279	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000262872151	383643028	/nfs/dbraw/zinc/64/30/28/383643028.db2.gz	JTEDFBDUGQFPHK-ZDUSSCGKSA-N	-1	0	275.348	2.761	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2cscc2s1	ZINC000528916663	383676165	/nfs/dbraw/zinc/67/61/65/383676165.db2.gz	FOIRTLWBWCDWQP-SECBINFHSA-N	-1	0	290.369	2.564	20	30		CFEDRM
Cc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1C#N	ZINC000572321672	383772712	/nfs/dbraw/zinc/77/27/12/383772712.db2.gz	BXUGUAFSFJRAAW-HYXAFXHYSA-N	-1	0	265.272	2.525	20	30		CFEDRM
C=C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435427958	383774324	/nfs/dbraw/zinc/77/43/24/383774324.db2.gz	PRWFKORPTLXVGA-ZCFIWIBFSA-N	-1	0	298.166	2.985	20	30		CFEDRM
CSc1c(F)cccc1C([O-])=C(C#N)c1ccncn1	ZINC000435767727	383780554	/nfs/dbraw/zinc/78/05/54/383780554.db2.gz	KKWYQQLNYNUQOC-SNVBAGLBSA-N	-1	0	287.319	2.828	20	30		CFEDRM
CC(C)=CCC[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000573094387	383869567	/nfs/dbraw/zinc/86/95/67/383869567.db2.gz	WIHCIDNNMSXZDD-NSHDSACASA-N	-1	0	285.351	2.864	20	30		CFEDRM
CCCN(C(=O)Nc1cccc(C#N)c1)[C@H](CC)C(=O)[O-]	ZINC000573185996	383884846	/nfs/dbraw/zinc/88/48/46/383884846.db2.gz	JRDSTFGLLCDFBK-CYBMUJFWSA-N	-1	0	289.335	2.665	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000436838699	383897800	/nfs/dbraw/zinc/89/78/00/383897800.db2.gz	NJEASSVXYHEWPH-UHFFFAOYSA-N	-1	0	264.712	2.587	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1	ZINC000267235954	384332479	/nfs/dbraw/zinc/33/24/79/384332479.db2.gz	HQVURYYZMZDLFR-QMMMGPOBSA-N	-1	0	294.635	2.921	20	30		CFEDRM
CSc1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354462044	533062017	/nfs/dbraw/zinc/06/20/17/533062017.db2.gz	GZHPRSTXYGFGCJ-QMMMGPOBSA-N	-1	0	275.358	2.750	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)ccc1O	ZINC000279972887	384834687	/nfs/dbraw/zinc/83/46/87/384834687.db2.gz	ULBOAFBKKFNVGE-ZWNOBZJWSA-N	-1	0	281.739	2.965	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000644620670	384961254	/nfs/dbraw/zinc/96/12/54/384961254.db2.gz	ARLQETGFXVRJFD-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
C#CCN(CC)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000270928508	385273795	/nfs/dbraw/zinc/27/37/95/385273795.db2.gz	TUEMLYRLTAOTPW-UHFFFAOYSA-N	-1	0	272.131	2.794	20	30		CFEDRM
C#CCCCSc1nc(O)cc(=O)n1C1CCCC1	ZINC000270961242	385283556	/nfs/dbraw/zinc/28/35/56/385283556.db2.gz	XSLKXTCPTMLCEV-UHFFFAOYSA-N	-1	0	278.377	2.570	20	30		CFEDRM
C=C1CC(C)(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1	ZINC000639552951	385580882	/nfs/dbraw/zinc/58/08/82/385580882.db2.gz	BJACASPYIHEMMB-UHFFFAOYSA-N	-1	0	285.372	2.922	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1ncsc1C(C)C	ZINC000288269201	197040631	/nfs/dbraw/zinc/04/06/31/197040631.db2.gz	QFFAXYJOFOKONO-UHFFFAOYSA-N	-1	0	260.384	2.584	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000281724569	195353488	/nfs/dbraw/zinc/35/34/88/195353488.db2.gz	NQVQZYKLZTXLTQ-SECBINFHSA-N	-1	0	255.264	2.755	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000360267201	129021509	/nfs/dbraw/zinc/02/15/09/129021509.db2.gz	VGQHQEHXPGDPQQ-CLTKARDFSA-N	-1	0	295.254	2.730	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1	ZINC000262021273	533520762	/nfs/dbraw/zinc/52/07/62/533520762.db2.gz	GFJKDNMYYKHWML-UONOGXRCSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC000262695277	131251958	/nfs/dbraw/zinc/25/19/58/131251958.db2.gz	GAQKXQCJYZPYBM-BZUAXINKSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000263104360	131282476	/nfs/dbraw/zinc/28/24/76/131282476.db2.gz	WELZWHYZZLKRPQ-DOMZBBRYSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCC1	ZINC000263535940	131296417	/nfs/dbraw/zinc/29/64/17/131296417.db2.gz	OPJJYFDOJUYHRM-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2[nH]1	ZINC000683688694	542709548	/nfs/dbraw/zinc/70/95/48/542709548.db2.gz	GAPMMYYIALULPC-MRVPVSSYSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=CCC1(C(=O)N=c2cc(C)c(C)n[n-]2)CCCCC1	ZINC000410485744	393628569	/nfs/dbraw/zinc/62/85/69/393628569.db2.gz	JZFMWOZCIRGYFY-UHFFFAOYSA-N	-1	0	273.380	2.980	20	30		CFEDRM
CC(C)Cc1nc(=NCC(C)(C)CC#N)s[n-]1	ZINC000413417282	393783624	/nfs/dbraw/zinc/78/36/24/393783624.db2.gz	ZBUUORGLUQSLIK-UHFFFAOYSA-N	-1	0	252.387	2.510	20	30		CFEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(C)s1	ZINC000413568580	393785199	/nfs/dbraw/zinc/78/51/99/393785199.db2.gz	DBHYIHKBHSXWTD-ZDUSSCGKSA-N	-1	0	259.378	2.868	20	30		CFEDRM
CCC(CC)(CNc1c(C#N)nnc2ccccc21)C(=O)[O-]	ZINC000424378898	393842014	/nfs/dbraw/zinc/84/20/14/393842014.db2.gz	UFGQCIZWHUNICP-UHFFFAOYSA-N	-1	0	298.346	2.804	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)C(C)C)cc1	ZINC000416960944	393947161	/nfs/dbraw/zinc/94/71/61/393947161.db2.gz	OWHQCCPGOHNIBG-ZDUSSCGKSA-N	-1	0	294.376	2.569	20	30		CFEDRM
C[C@@H](Cc1ccc(NCc2cc(C#N)n(C)c2)cc1)C(=O)[O-]	ZINC000417608223	393982597	/nfs/dbraw/zinc/98/25/97/393982597.db2.gz	IIZVOVOQRYQUSX-LBPRGKRZSA-N	-1	0	297.358	2.772	20	30		CFEDRM
C#CCN(C(=O)CC1CCC(C(=O)[O-])CC1)C1CCCC1	ZINC000491420034	394050000	/nfs/dbraw/zinc/05/00/00/394050000.db2.gz	WOMOUNKPZXRLSJ-UHFFFAOYSA-N	-1	0	291.391	2.672	20	30		CFEDRM
CC1(C)CCC[C@@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000130020523	394099204	/nfs/dbraw/zinc/09/92/04/394099204.db2.gz	WMPLIDNEBVLUMV-JTQLQIEISA-N	-1	0	285.351	2.698	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000517038220	394370584	/nfs/dbraw/zinc/37/05/84/394370584.db2.gz	ORZHWFIUQILCGZ-RYUDHWBXSA-N	-1	0	270.373	2.531	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000685019425	542888537	/nfs/dbraw/zinc/88/85/37/542888537.db2.gz	UNPXXSOBDUPSHI-WDEREUQCSA-N	-1	0	281.377	2.982	20	30		CFEDRM
N#Cc1ccnc([N-]S(=O)(=O)c2cc3ccccc3o2)c1	ZINC000530440373	394516969	/nfs/dbraw/zinc/51/69/69/394516969.db2.gz	COKUTLZKPSKERN-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
CC(C)(CNC(=O)c1ccc(C#N)c(O)c1)C(F)(F)F	ZINC000558720189	395074042	/nfs/dbraw/zinc/07/40/42/395074042.db2.gz	VZQZDLLIOBLLPC-UHFFFAOYSA-N	-1	0	286.253	2.582	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc(C2CC2)cs1	ZINC000647377843	395320670	/nfs/dbraw/zinc/32/06/70/395320670.db2.gz	WNGQTEVADISERK-QMMMGPOBSA-N	-1	0	275.358	2.967	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000649264082	395464154	/nfs/dbraw/zinc/46/41/54/395464154.db2.gz	RKBDQBMRLMKNHY-OLZOCXBDSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCC1(C(=O)NCc2nc(C)c(C(=O)[O-])s2)CCC1	ZINC000649364643	395478449	/nfs/dbraw/zinc/47/84/49/395478449.db2.gz	GTDUUGKYJDCASC-UHFFFAOYSA-N	-1	0	294.376	2.512	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000648345105	395544396	/nfs/dbraw/zinc/54/43/96/395544396.db2.gz	SKXUOLJILQYMKN-FRRDWIJNSA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1	ZINC000656781772	413219630	/nfs/dbraw/zinc/21/96/30/413219630.db2.gz	LSDXPENQKQIIQH-ZYHUDNBSSA-N	-1	0	261.325	2.722	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1Nc1ncc(C(=O)[O-])cn1	ZINC000656781770	413220242	/nfs/dbraw/zinc/22/02/42/413220242.db2.gz	LSDXPENQKQIIQH-JQWIXIFHSA-N	-1	0	261.325	2.722	20	30		CFEDRM
C[C@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000335110903	299771407	/nfs/dbraw/zinc/77/14/07/299771407.db2.gz	PSKHLGOTCXUUJR-AAEUAGOBSA-N	-1	0	288.395	2.696	20	30		CFEDRM
Cc1n[n-]c(=NCc2ccc(-c3ccccc3C#N)cc2)o1	ZINC000342935426	161740665	/nfs/dbraw/zinc/74/06/65/161740665.db2.gz	BIABOILYUXALGY-UHFFFAOYSA-N	-1	0	290.326	2.951	20	30		CFEDRM
C=C(C)CN(CC)c1ncc(C(=O)[O-])cc1Cl	ZINC000019845366	170893376	/nfs/dbraw/zinc/89/33/76/170893376.db2.gz	WUOWWWPDSOZEOZ-UHFFFAOYSA-N	-1	0	254.717	2.836	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])s2)c1	ZINC000035426457	172193727	/nfs/dbraw/zinc/19/37/27/172193727.db2.gz	LDCGNYFTSNSNKS-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000652089279	413820065	/nfs/dbraw/zinc/82/00/65/413820065.db2.gz	YPHQWVHOQMKROS-OLZOCXBDSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C	ZINC000655050625	414075096	/nfs/dbraw/zinc/07/50/96/414075096.db2.gz	SBIWSTHLZMDXQY-UHFFFAOYSA-N	-1	0	286.335	2.781	20	30		CFEDRM
C=CCCC1(CNC(=O)C2(C(=O)[O-])CCC2)CCCC1	ZINC000659165824	414459997	/nfs/dbraw/zinc/45/99/97/414459997.db2.gz	GVQNVIDQRGEDDG-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000659166106	414460480	/nfs/dbraw/zinc/46/04/80/414460480.db2.gz	IDNDYBYBNWICEI-AAEUAGOBSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000659170165	414461856	/nfs/dbraw/zinc/46/18/56/414461856.db2.gz	QMPYKZZORDXTPR-LBPRGKRZSA-N	-1	0	273.332	2.813	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659244168	414477663	/nfs/dbraw/zinc/47/76/63/414477663.db2.gz	TWQYGVZHVHABBN-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@H](C(=O)[O-])C(C)C)CCCCC1	ZINC000655895995	414488757	/nfs/dbraw/zinc/48/87/57/414488757.db2.gz	IYZMDNRCHUQBMS-ZDUSSCGKSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCN(C)[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000659785108	414551010	/nfs/dbraw/zinc/55/10/10/414551010.db2.gz	BJBORUASFMNKQR-LLVKDONJSA-N	-1	0	284.153	2.693	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000659408965	414517183	/nfs/dbraw/zinc/51/71/83/414517183.db2.gz	GIDKCJAHSHDBPH-UHFFFAOYSA-N	-1	0	284.400	2.921	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC000659406666	414517208	/nfs/dbraw/zinc/51/72/08/414517208.db2.gz	RMRVWWGBYUKORY-IYXRBSQSSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)CCCC1	ZINC000659415355	414518256	/nfs/dbraw/zinc/51/82/56/414518256.db2.gz	YXNQJNREVMAELD-GFCCVEGCSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCC1(CNC(=O)NC[C@@H](C)C(=O)[O-])CCCC1	ZINC000659413577	414518754	/nfs/dbraw/zinc/51/87/54/414518754.db2.gz	WQDVWUYNKTUUAA-GFCCVEGCSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=CCCC1(CNC(=O)N[C@H](C(=O)[O-])C2CC2)CCCC1	ZINC000656588494	414611295	/nfs/dbraw/zinc/61/12/95/414611295.db2.gz	MIJOZLAQYHCFJY-ZDUSSCGKSA-N	-1	0	294.395	2.675	20	30		CFEDRM
O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(O)cc1[O-]	ZINC000038876412	174158023	/nfs/dbraw/zinc/15/80/23/174158023.db2.gz	PZNSXDODRVGONW-VMPITWQZSA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@]1(C(=O)[O-])CC1(C)C	ZINC000663075092	414650811	/nfs/dbraw/zinc/65/08/11/414650811.db2.gz	TWEAQXIPMUDMRZ-HNNXBMFYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C1(C(=O)[O-])CC=CC1	ZINC000663073741	414650930	/nfs/dbraw/zinc/65/09/30/414650930.db2.gz	DFRAIHDBBVSHRF-UHFFFAOYSA-N	-1	0	265.353	2.612	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000040547238	174325756	/nfs/dbraw/zinc/32/57/56/174325756.db2.gz	AESFNQSTOLHFHZ-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=C(Br)CN1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000043594338	175075445	/nfs/dbraw/zinc/07/54/45/175075445.db2.gz	CTRNNTDKOJLYDK-LBPRGKRZSA-N	-1	0	296.164	2.579	20	30		CFEDRM
N#Cc1ccnnc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243153991	782022323	/nfs/dbraw/zinc/02/23/23/782022323.db2.gz	VLRMTJBBPRWTHJ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000345786689	225604166	/nfs/dbraw/zinc/60/41/66/225604166.db2.gz	UVBCRHDCVLENFD-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
N#CC(=C([O-])c1nccc2ccccc21)c1ccncn1	ZINC000354470545	227006760	/nfs/dbraw/zinc/00/67/60/227006760.db2.gz	SLIWHFILQAUZDV-CYBMUJFWSA-N	-1	0	274.283	2.515	20	30		CFEDRM
CC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCC(C)CC1	ZINC000359825802	287512041	/nfs/dbraw/zinc/51/20/41/287512041.db2.gz	FXOQTJFXOQSHJL-MCIGGMRASA-N	-1	0	299.378	2.944	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)C2CCCCC2)c1	ZINC000067952254	260254203	/nfs/dbraw/zinc/25/42/03/260254203.db2.gz	CMSQHFBBELRLCQ-INQNZLQJSA-N	-1	0	292.335	2.661	20	30		CFEDRM
CO[C@]1(C)C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000080714874	260318549	/nfs/dbraw/zinc/31/85/49/260318549.db2.gz	HPKADPVALUCVDY-FMVCGGQUSA-N	-1	0	292.335	2.923	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000156718864	261130578	/nfs/dbraw/zinc/13/05/78/261130578.db2.gz	UHJBHFCNCRRITR-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
Cc1c(F)cccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188596177	262323404	/nfs/dbraw/zinc/32/34/04/262323404.db2.gz	UNDRWEHJNJDKHD-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc3ccncc32)n1	ZINC000340363651	263119189	/nfs/dbraw/zinc/11/91/89/263119189.db2.gz	KCDKRZRKFGYDQI-NSHDSACASA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccncc2Cl)s1	ZINC000340596705	263216492	/nfs/dbraw/zinc/21/64/92/263216492.db2.gz	PKRWBTVAHMNDSS-UHFFFAOYSA-N	-1	0	298.824	2.899	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(CCC)[n-]s2)CCC1	ZINC000342353051	263416821	/nfs/dbraw/zinc/41/68/21/263416821.db2.gz	JNZAGLHWZGALDP-UHFFFAOYSA-N	-1	0	265.382	2.597	20	30		CFEDRM
Cc1nc(CC(C)C)sc1C(=O)N[C@H](C)CC(=O)[O-]	ZINC000331159242	264142435	/nfs/dbraw/zinc/14/24/35/264142435.db2.gz	WLTZHNMXQRGNDR-MRVPVSSYSA-N	-1	0	284.381	2.818	20	30		CFEDRM
CC(C)(C)n1cnc(NC(=O)c2c([O-])cccc2F)n1	ZINC000331245255	264178908	/nfs/dbraw/zinc/17/89/08/264178908.db2.gz	RJGBMNVQNKXIOO-UHFFFAOYSA-N	-1	0	278.287	2.514	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccccc1	ZINC000190930974	264440653	/nfs/dbraw/zinc/44/06/53/264440653.db2.gz	OTUCORQNWJMXML-QWHCGFSZSA-N	-1	0	275.348	2.525	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1C	ZINC000361530570	266840940	/nfs/dbraw/zinc/84/09/40/266840940.db2.gz	ZBAFSOIEIGAMRK-AWEZNQCLSA-N	-1	0	290.326	2.767	20	30		CFEDRM
C=CCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000362625664	267025665	/nfs/dbraw/zinc/02/56/65/267025665.db2.gz	YHBHXONCMTYISO-UHFFFAOYSA-N	-1	0	272.304	2.631	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2o1	ZINC000429701226	268207275	/nfs/dbraw/zinc/20/72/75/268207275.db2.gz	TUFBDXAVRQAVHB-SNVBAGLBSA-N	-1	0	277.239	2.783	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1cnc2ccccc2n1	ZINC000429562987	268207415	/nfs/dbraw/zinc/20/74/15/268207415.db2.gz	AQISGWCVVQUQOA-LLVKDONJSA-N	-1	0	288.266	2.585	20	30		CFEDRM
Cc1ncccc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000255566451	281102013	/nfs/dbraw/zinc/10/20/13/281102013.db2.gz	QLHKZSDMYOMZGE-XQRVVYSFSA-N	-1	0	265.272	2.525	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)o1	ZINC000565796341	290325880	/nfs/dbraw/zinc/32/58/80/290325880.db2.gz	XVRRAMGBNFTLBF-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(CC#N)ccn1	ZINC001243201646	782061660	/nfs/dbraw/zinc/06/16/60/782061660.db2.gz	YYCCSXCZFLDILF-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(N3CC[C@H](C(=O)[O-])C3)c2c1	ZINC000263536927	301214081	/nfs/dbraw/zinc/21/40/81/301214081.db2.gz	ZVDJGUGLWHHMFT-LBPRGKRZSA-N	-1	0	295.342	2.634	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000049933882	303174379	/nfs/dbraw/zinc/17/43/79/303174379.db2.gz	MWTVSFWBWXJPBP-SECBINFHSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(-c2ncccc2CC#N)ccc1C(=O)[O-]	ZINC001243210694	782070892	/nfs/dbraw/zinc/07/08/92/782070892.db2.gz	NAPSTRBUIAIPQU-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1ncc(-c2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001243214015	782075758	/nfs/dbraw/zinc/07/57/58/782075758.db2.gz	ALHSWKZXAMMVKB-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243216047	782076342	/nfs/dbraw/zinc/07/63/42/782076342.db2.gz	BKOQIPJWWPPRQB-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])s3)ccc12	ZINC001240842212	782076845	/nfs/dbraw/zinc/07/68/45/782076845.db2.gz	CEHLUVGVQMLFPH-UHFFFAOYSA-N	-1	0	269.285	2.861	20	30		CFEDRM
N#CCc1ccnc(NC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000531674111	328022792	/nfs/dbraw/zinc/02/27/92/328022792.db2.gz	ZBNXPGORXJZTHS-UHFFFAOYSA-N	-1	0	287.706	2.759	20	30		CFEDRM
C=CCCCCCNC(=O)N(C)C1(C(=O)[O-])CCCC1	ZINC000563350702	328057129	/nfs/dbraw/zinc/05/71/29/328057129.db2.gz	QCJBSMHMPRMALU-UHFFFAOYSA-N	-1	0	282.384	2.772	20	30		CFEDRM
C=C(C)Cn1c(CC)n[n-]c1=Nc1cccc(OC)c1	ZINC000571491654	328125745	/nfs/dbraw/zinc/12/57/45/328125745.db2.gz	CQTWSWXZMSYGQF-UHFFFAOYSA-N	-1	0	272.352	2.591	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H]2CCC(C)(C)O2)s1	ZINC000340596849	328295414	/nfs/dbraw/zinc/29/54/14/328295414.db2.gz	QVKWEULEKZGRNJ-SECBINFHSA-N	-1	0	285.438	2.608	20	30		CFEDRM
N#CCc1ccnc(NC(=O)c2ccc(Cl)cc2[O-])c1	ZINC000531928615	328319170	/nfs/dbraw/zinc/31/91/70/328319170.db2.gz	WAUQIONHDCPMBM-UHFFFAOYSA-N	-1	0	287.706	2.759	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F	ZINC000531938564	328322516	/nfs/dbraw/zinc/32/25/16/328322516.db2.gz	RPKXBHWKQZBDKS-LLVKDONJSA-N	-1	0	293.310	2.786	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000161589246	322353819	/nfs/dbraw/zinc/35/38/19/322353819.db2.gz	SLBGTBKYIATZAG-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
CC1(C)CCCC[C@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000161813611	322357197	/nfs/dbraw/zinc/35/71/97/322357197.db2.gz	TYJOVEQGSZTHQE-JTQLQIEISA-N	-1	0	285.351	2.698	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCc1ccc(C)cc1C)C(=O)[O-]	ZINC000563792232	328518351	/nfs/dbraw/zinc/51/83/51/328518351.db2.gz	OTUDIMYNXSXTOW-CQSZACIVSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000582845283	325238670	/nfs/dbraw/zinc/23/86/70/325238670.db2.gz	OBFSPJNLASKEAI-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000262792155	326949318	/nfs/dbraw/zinc/94/93/18/326949318.db2.gz	BYQMWZUXKBTFJA-KBPBESRZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)[O-]	ZINC000262857415	326961089	/nfs/dbraw/zinc/96/10/89/326961089.db2.gz	IJMHGGUQORZKDB-AWEZNQCLSA-N	-1	0	287.359	2.644	20	30		CFEDRM
C=CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1	ZINC000566290731	327288934	/nfs/dbraw/zinc/28/89/34/327288934.db2.gz	CKGLALAEAHLRBJ-UHFFFAOYSA-N	-1	0	276.292	2.695	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000172086855	329080837	/nfs/dbraw/zinc/08/08/37/329080837.db2.gz	ABUGURKBPSQHDS-LLVKDONJSA-N	-1	0	280.287	2.534	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000393758905	329089471	/nfs/dbraw/zinc/08/94/71/329089471.db2.gz	IPELJPVIAJRNON-KOLCDFICSA-N	-1	0	282.365	2.528	20	30		CFEDRM
N#CC(=C([O-])c1nc2c(s1)CCC2)c1ccccn1	ZINC000582954898	329293367	/nfs/dbraw/zinc/29/33/67/329293367.db2.gz	HDZPEALAJVXHDV-VIFPVBQESA-N	-1	0	269.329	2.517	20	30		CFEDRM
Cc1cncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1	ZINC000190899027	329402218	/nfs/dbraw/zinc/40/22/18/329402218.db2.gz	AAAKSIPUOBHAEP-CYBMUJFWSA-N	-1	0	288.310	2.823	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000193275307	329439423	/nfs/dbraw/zinc/43/94/23/329439423.db2.gz	AONFZLHCIXFLHQ-JTQLQIEISA-N	-1	0	280.287	2.603	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)c1ccc(C(=O)[O-])o1	ZINC000238031029	329695532	/nfs/dbraw/zinc/69/55/32/329695532.db2.gz	OWHCBBCTOPBMNV-UHFFFAOYSA-N	-1	0	291.328	2.868	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000262272927	330003492	/nfs/dbraw/zinc/00/34/92/330003492.db2.gz	YIASWCZYJCRJIZ-MRXNPFEDSA-N	-1	0	299.370	2.965	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1ccc(C)cc1)C(=O)[O-]	ZINC000262837280	330034974	/nfs/dbraw/zinc/03/49/74/330034974.db2.gz	GMKYPBADRDBULH-CQSZACIVSA-N	-1	0	289.375	2.808	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1OC(C)C)C(=O)[O-]	ZINC000262931390	330037169	/nfs/dbraw/zinc/03/71/69/330037169.db2.gz	OWSVVPIYMDICKG-CYBMUJFWSA-N	-1	0	291.347	2.623	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000262987536	330038205	/nfs/dbraw/zinc/03/82/05/330038205.db2.gz	LCXRJPNFUBZLPV-ZYHUDNBSSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000262993060	330038232	/nfs/dbraw/zinc/03/82/32/330038232.db2.gz	VLPINIKZEACQGT-HNNXBMFYSA-N	-1	0	289.375	2.690	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccccc1	ZINC000263239673	330050471	/nfs/dbraw/zinc/05/04/71/330050471.db2.gz	FTEQZFBFXGAQRO-LBPRGKRZSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=C[C@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1	ZINC000263261089	330051109	/nfs/dbraw/zinc/05/11/09/330051109.db2.gz	MKPZCGXWEOHPGC-QWHCGFSZSA-N	-1	0	287.359	2.810	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000263309992	330051910	/nfs/dbraw/zinc/05/19/10/330051910.db2.gz	WWUJBGASQNDKRS-WCBMZHEXSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CCCC2)c1	ZINC000263342262	330052741	/nfs/dbraw/zinc/05/27/41/330052741.db2.gz	SGKUSXLRYGFIJR-LLVKDONJSA-N	-1	0	286.331	2.897	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)NCCCC(=O)[O-])CCCC1(C)C	ZINC000263460529	330057019	/nfs/dbraw/zinc/05/70/19/330057019.db2.gz	IRTFDXWLBBCFIA-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
N#CCCN(Cc1ccco1)Cc1cccc(C(=O)[O-])c1	ZINC000263506624	330058221	/nfs/dbraw/zinc/05/82/21/330058221.db2.gz	XGVVNARISVNYRU-UHFFFAOYSA-N	-1	0	284.315	2.894	20	30		CFEDRM
C=CC(C)(C)CCN=c1[n-]c([C@H](C)OC)ns1	ZINC000528075830	330305469	/nfs/dbraw/zinc/30/54/69/330305469.db2.gz	UPONAZGPGLWPJK-VIFPVBQESA-N	-1	0	255.387	2.682	20	30		CFEDRM
C=CCOc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1	ZINC000533124058	330349691	/nfs/dbraw/zinc/34/96/91/330349691.db2.gz	FPSIBRPDWVQHHS-UTCJRWHESA-N	-1	0	282.299	2.910	20	30		CFEDRM
C=CCC1(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC1	ZINC000424398585	330350210	/nfs/dbraw/zinc/35/02/10/330350210.db2.gz	OMHVWEQKGYPNRA-UHFFFAOYSA-N	-1	0	296.411	2.923	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000432733673	330604551	/nfs/dbraw/zinc/60/45/51/330604551.db2.gz	IMAAUTBBNWTSAC-UHFFFAOYSA-N	-1	0	296.440	2.882	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1[n-]c(-c2ccc(C)cc2)no1	ZINC000435583080	330657893	/nfs/dbraw/zinc/65/78/93/330657893.db2.gz	HVIIHZUWUDYUJQ-LSDHHAIUSA-N	-1	0	299.374	2.860	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000448987532	330890256	/nfs/dbraw/zinc/89/02/56/330890256.db2.gz	BPFSATLEZBJZTO-GXSJLCMTSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CCC[C@@H](CO)N=c1[n-]c(-c2cccc(Cl)c2)no1	ZINC000450897489	331005742	/nfs/dbraw/zinc/00/57/42/331005742.db2.gz	QDIRROPVLMBWLF-LBPRGKRZSA-N	-1	0	293.754	2.551	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000454537924	331148284	/nfs/dbraw/zinc/14/82/84/331148284.db2.gz	GMWQNCIIELLJTH-UHFFFAOYSA-N	-1	0	282.413	2.591	20	30		CFEDRM
C=CCn1c(C2CCCC2)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000576030950	335143355	/nfs/dbraw/zinc/14/33/55/335143355.db2.gz	VWHYCJLTOLZEEX-UHFFFAOYSA-N	-1	0	286.383	2.627	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000529514456	333492197	/nfs/dbraw/zinc/49/21/97/333492197.db2.gz	IIJCMIPRYCGINI-UHFFFAOYSA-N	-1	0	286.335	2.669	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)cc(Cl)c1)C(=O)[O-]	ZINC000263024933	334584005	/nfs/dbraw/zinc/58/40/05/334584005.db2.gz	YJXVDQDGUZBQMY-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)cc(Cl)c1)C(=O)[O-]	ZINC000263024935	334584017	/nfs/dbraw/zinc/58/40/17/334584017.db2.gz	YJXVDQDGUZBQMY-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCc1cc([N+](=O)[O-])ccc1OCCCC(=O)[O-]	ZINC000566241219	334637893	/nfs/dbraw/zinc/63/78/93/334637893.db2.gz	VOBADNNEYGPGGB-UHFFFAOYSA-N	-1	0	265.265	2.567	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n1	ZINC000576941735	335267087	/nfs/dbraw/zinc/26/70/87/335267087.db2.gz	HTBDMKXVEQMMDO-LLVKDONJSA-N	-1	0	293.330	2.578	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000577458613	335354318	/nfs/dbraw/zinc/35/43/18/335354318.db2.gz	UVKBVZUZGYTPMM-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#CCc1ccccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000193360920	335968738	/nfs/dbraw/zinc/96/87/38/335968738.db2.gz	YMZWWTMCBJFMOW-UHFFFAOYSA-N	-1	0	290.319	2.693	20	30		CFEDRM
Cc1ccc(-c2ccc(CC(=O)[O-])cc2)nc1C#N	ZINC001240973037	782136578	/nfs/dbraw/zinc/13/65/78/782136578.db2.gz	YOUISXSIBDALKO-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc([O-])c(F)c2F)c1	ZINC001243341704	782146298	/nfs/dbraw/zinc/14/62/98/782146298.db2.gz	WXLNXEDSYJOSGP-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
CCCc1nc(=NCc2cc(C#N)ccc2F)s[n-]1	ZINC000360081374	521472365	/nfs/dbraw/zinc/47/23/65/521472365.db2.gz	FJIDRFVHYHKMEF-UHFFFAOYSA-N	-1	0	276.340	2.535	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1nccc(C#N)c1Cl	ZINC000232526059	519206906	/nfs/dbraw/zinc/20/69/06/519206906.db2.gz	DKJSMPJZJVOXFX-UHFFFAOYSA-N	-1	0	267.716	2.662	20	30		CFEDRM
CC1(C)CC=C(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000336278278	520290283	/nfs/dbraw/zinc/29/02/83/520290283.db2.gz	KCMBDJWZDWSAPJ-UHFFFAOYSA-N	-1	0	284.363	2.656	20	30		CFEDRM
C=C[C@@H](CC(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC000262812989	534514548	/nfs/dbraw/zinc/51/45/48/534514548.db2.gz	UNBBTSOVOPVKML-ZDUSSCGKSA-N	-1	0	275.348	2.717	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000238020984	534563864	/nfs/dbraw/zinc/56/38/64/534563864.db2.gz	BMBZQFYLARBOPR-MRXNPFEDSA-N	-1	0	299.370	2.793	20	30		CFEDRM
CC[C@H]1CCCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361762482	523053375	/nfs/dbraw/zinc/05/33/75/523053375.db2.gz	BEVGQXKSJJQBGH-GXTWGEPZSA-N	-1	0	288.395	2.912	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000050436651	526005418	/nfs/dbraw/zinc/00/54/18/526005418.db2.gz	YTMSHRBSCZZFQL-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000191626989	526501057	/nfs/dbraw/zinc/50/10/57/526501057.db2.gz	OBMHXSAADSVTIY-LLVKDONJSA-N	-1	0	293.388	2.900	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC000063008757	526601417	/nfs/dbraw/zinc/60/14/17/526601417.db2.gz	LRTROWGZDYOWSH-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
C=CCn1c(-c2ccc[nH]2)n[n-]c1=Nc1cccc(OC)c1	ZINC000350788328	527269504	/nfs/dbraw/zinc/26/95/04/527269504.db2.gz	DBFYYNDARNVTDX-UHFFFAOYSA-N	-1	0	295.346	2.633	20	30		CFEDRM
CCOc1c(F)cccc1C([O-])=C(C#N)c1ccncn1	ZINC000354462304	528184089	/nfs/dbraw/zinc/18/40/89/528184089.db2.gz	HLBGPDRPNLZNAS-LLVKDONJSA-N	-1	0	285.278	2.504	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CC=CCC2)c1	ZINC000935108194	649876507	/nfs/dbraw/zinc/87/65/07/649876507.db2.gz	NEHJLSJFTDOZCQ-LLVKDONJSA-N	-1	0	256.305	2.949	20	30		CFEDRM
N#CC(=C([O-])C=CC1CC1)c1nc2ccccc2o1	ZINC000744041637	574050485	/nfs/dbraw/zinc/05/04/85/574050485.db2.gz	ZSENHDYRGSFTPR-TVRMLOFPSA-N	-1	0	252.273	2.970	20	30		CFEDRM
CC(C)CN(CCCC(=O)[O-])c1ccc(C#N)cc1	ZINC000736432570	574051079	/nfs/dbraw/zinc/05/10/79/574051079.db2.gz	PLPNRAWRZRWBKC-UHFFFAOYSA-N	-1	0	260.337	2.885	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(F)cc1C(=O)[O-]	ZINC000736438550	574053468	/nfs/dbraw/zinc/05/34/68/574053468.db2.gz	UCQUTXJXTHNVDW-UHFFFAOYSA-N	-1	0	278.327	2.896	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCCOc1ccccc1C#N	ZINC000736552796	574060030	/nfs/dbraw/zinc/06/00/30/574060030.db2.gz	RCPILMKRTSQQQN-JTQLQIEISA-N	-1	0	265.334	2.533	20	30		CFEDRM
CC/C=C(\C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736947746	574087315	/nfs/dbraw/zinc/08/73/15/574087315.db2.gz	DSTWCFSAEWQHRZ-MQSIBISMSA-N	-1	0	273.288	2.583	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000736951958	574087558	/nfs/dbraw/zinc/08/75/58/574087558.db2.gz	KNRWFEQGWDTGAK-UHFFFAOYSA-N	-1	0	288.347	2.977	20	30		CFEDRM
CCCC[C@H](Sc1ncccc1C#N)C(=O)[O-]	ZINC000736984017	574091574	/nfs/dbraw/zinc/09/15/74/574091574.db2.gz	DNMHAZQLACRUAS-JTQLQIEISA-N	-1	0	250.323	2.689	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000730721419	574093475	/nfs/dbraw/zinc/09/34/75/574093475.db2.gz	FUQQTOKSBXCEHX-UHFFFAOYSA-N	-1	0	264.325	2.845	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738494226	574095904	/nfs/dbraw/zinc/09/59/04/574095904.db2.gz	XRPQEOGEMYNDIQ-QWHCGFSZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000737059079	574105242	/nfs/dbraw/zinc/10/52/42/574105242.db2.gz	GRWLZADFUBPTKE-UHFFFAOYSA-N	-1	0	294.310	2.923	20	30		CFEDRM
Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(C)n1C	ZINC000754916905	574127887	/nfs/dbraw/zinc/12/78/87/574127887.db2.gz	HJUXJNLPNRKXAO-UHFFFAOYSA-N	-1	0	271.320	2.786	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H](C3CC3)C2)n1	ZINC000737413653	574139215	/nfs/dbraw/zinc/13/92/15/574139215.db2.gz	JTLFACZGMFGJNA-NSHDSACASA-N	-1	0	260.341	2.859	20	30		CFEDRM
COc1ccc(CCNN=Cc2ccccc2O)cc1	ZINC000737439810	574140894	/nfs/dbraw/zinc/14/08/94/574140894.db2.gz	IYTYVMIYZDOXJS-UHFFFAOYSA-N	-1	0	270.332	2.567	20	30		CFEDRM
O=C([O-])CCOc1cccc(/C=C\C(=O)c2cccnc2)c1	ZINC000746682939	574162760	/nfs/dbraw/zinc/16/27/60/574162760.db2.gz	FSCZCZIEIQLFDB-SREVYHEPSA-N	-1	0	297.310	2.831	20	30		CFEDRM
N#CCC[C@H](C#N)CNc1ccc(NC(=O)[O-])cc1	ZINC000738428341	574168213	/nfs/dbraw/zinc/16/82/13/574168213.db2.gz	LWRWGJXQJAQGER-SNVBAGLBSA-N	-1	0	258.281	2.632	20	30		CFEDRM
N#Cc1nnc2ccccc2c1NCCCCCCC(=O)[O-]	ZINC000738434686	574168878	/nfs/dbraw/zinc/16/88/78/574168878.db2.gz	AHZDDSSECZHYNZ-UHFFFAOYSA-N	-1	0	298.346	2.948	20	30		CFEDRM
Cc1csc(C=NNc2ccccc2C(=O)[O-])n1	ZINC000755600028	574171022	/nfs/dbraw/zinc/17/10/22/574171022.db2.gz	DZBPNHLHUCGPTF-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)[O-]	ZINC000738503288	574171630	/nfs/dbraw/zinc/17/16/30/574171630.db2.gz	NTMWQDPSWFUJQY-VIFPVBQESA-N	-1	0	262.334	2.788	20	30		CFEDRM
C=CCNC(=S)Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000738492764	574171795	/nfs/dbraw/zinc/17/17/95/574171795.db2.gz	YTKILEGPIDGSOX-UHFFFAOYSA-N	-1	0	291.376	2.590	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNCCCc2ccccc2)c1	ZINC000729146473	574179387	/nfs/dbraw/zinc/17/93/87/574179387.db2.gz	YWVZPRNEXNUIGC-UHFFFAOYSA-N	-1	0	299.330	2.857	20	30		CFEDRM
N#CCN(C(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1	ZINC000739075427	574196605	/nfs/dbraw/zinc/19/66/05/574196605.db2.gz	FRAUKRBQUDCGKJ-UHFFFAOYSA-N	-1	0	295.298	2.947	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1	ZINC000739102601	574198935	/nfs/dbraw/zinc/19/89/35/574198935.db2.gz	YZVPONJQDPUFGD-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739189405	574200483	/nfs/dbraw/zinc/20/04/83/574200483.db2.gz	DLBCOKXSJDPRJA-CABZTGNLSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCCCCCCC(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000739329328	574208436	/nfs/dbraw/zinc/20/84/36/574208436.db2.gz	HYSKDMIESJTFBQ-GFCCVEGCSA-N	-1	0	270.373	2.606	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC=CCc2ccc(F)cc2)n1	ZINC000747736536	574208872	/nfs/dbraw/zinc/20/88/72/574208872.db2.gz	QNUCOOSQYFPBJY-YWNVTICHSA-N	-1	0	272.283	2.741	20	30		CFEDRM
CN(C(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000739586895	574220177	/nfs/dbraw/zinc/22/01/77/574220177.db2.gz	JWIYEADDLNCMMX-GFCCVEGCSA-N	-1	0	293.754	2.790	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](/N=C/c2cc(Cl)ccc2O)C1	ZINC000739924170	574229680	/nfs/dbraw/zinc/22/96/80/574229680.db2.gz	CPJUCOHTALPCPP-LBMJDHPKSA-N	-1	0	282.727	2.607	20	30		CFEDRM
N#Cc1ccc(NCCCNC(=O)[O-])c(C(F)(F)F)c1	ZINC000740318872	574246451	/nfs/dbraw/zinc/24/64/51/574246451.db2.gz	GKVGNXKELLTNNP-UHFFFAOYSA-N	-1	0	287.241	2.647	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000740311679	574246566	/nfs/dbraw/zinc/24/65/66/574246566.db2.gz	SUPUEZYUHZPKDQ-SNVBAGLBSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1	ZINC000740323391	574247316	/nfs/dbraw/zinc/24/73/16/574247316.db2.gz	PBBKFSYIPFERRM-CQSZACIVSA-N	-1	0	295.298	2.506	20	30		CFEDRM
COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000748410466	574251588	/nfs/dbraw/zinc/25/15/88/574251588.db2.gz	NDWIKRWMYUYHPQ-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
N#Cc1ccccc1COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000748480385	574254432	/nfs/dbraw/zinc/25/44/32/574254432.db2.gz	AVGMNLXADYERAF-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1scnc1C	ZINC000756901642	574271399	/nfs/dbraw/zinc/27/13/99/574271399.db2.gz	ULHKZUYERKSAOT-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccccc1O	ZINC000756901277	574271611	/nfs/dbraw/zinc/27/16/11/574271611.db2.gz	NDSAGNYRYVDICO-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
Cc1nnc(N=NC[C@@H](C)CCc2ccccc2)[n-]c1=O	ZINC000749157288	574283031	/nfs/dbraw/zinc/28/30/31/574283031.db2.gz	XRBGEBHDRIVALH-NSHDSACASA-N	-1	0	285.351	2.552	20	30		CFEDRM
CC(C)(C)[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000749402010	574293571	/nfs/dbraw/zinc/29/35/71/574293571.db2.gz	IGMDDXDDEAVNOG-BYPYZUCNSA-N	-1	0	283.187	2.980	20	30		CFEDRM
CC(C)[C@H](CNc1ccc(Cl)cc1C#N)NC(=O)[O-]	ZINC000738789876	574292396	/nfs/dbraw/zinc/29/23/96/574292396.db2.gz	PGSVQRRJMYVERH-LBPRGKRZSA-N	-1	0	281.743	2.916	20	30		CFEDRM
CCC(N=Nc1ccccc1C(=O)[O-])[C@@H]1CCOC1	ZINC000741838963	574306225	/nfs/dbraw/zinc/30/62/25/574306225.db2.gz	YSDOSLNUAODOCH-SNVBAGLBSA-N	-1	0	262.309	2.599	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2ccc(F)cn2)cc1F	ZINC000749859745	574313094	/nfs/dbraw/zinc/31/30/94/574313094.db2.gz	SUIAKDFVRQDRSX-UHFFFAOYSA-N	-1	0	267.210	2.651	20	30		CFEDRM
CC(C)C[C@@H](CNC(=O)[O-])Nc1ncc(C#N)cc1Cl	ZINC000738810939	574334995	/nfs/dbraw/zinc/33/49/95/574334995.db2.gz	KPPIJLNIGPUAMS-JTQLQIEISA-N	-1	0	296.758	2.701	20	30		CFEDRM
C=CCCSCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000736107994	574350189	/nfs/dbraw/zinc/35/01/89/574350189.db2.gz	FKSOGSZJLPYXGU-UHFFFAOYSA-N	-1	0	279.361	2.941	20	30		CFEDRM
C#CCOc1ccccc1OCc1cc(C)c(C(=O)[O-])o1	ZINC000736088399	574350211	/nfs/dbraw/zinc/35/02/11/574350211.db2.gz	VBDODQGBDIRABQ-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
C=CCOCC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000736109539	574350242	/nfs/dbraw/zinc/35/02/42/574350242.db2.gz	NYKBJEYPYLVQLB-UHFFFAOYSA-N	-1	0	277.320	2.649	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])co2)c1	ZINC000736090586	574350608	/nfs/dbraw/zinc/35/06/08/574350608.db2.gz	DAPUWRKASBSYGL-UHFFFAOYSA-N	-1	0	255.273	2.596	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(O)c(F)c1	ZINC000755824181	574350612	/nfs/dbraw/zinc/35/06/12/574350612.db2.gz	VJVZLVOWODDRAE-CYBMUJFWSA-N	-1	0	253.273	2.799	20	30		CFEDRM
C#CCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000736090051	574350754	/nfs/dbraw/zinc/35/07/54/574350754.db2.gz	SWTHNUYBEWZPJR-MRXNPFEDSA-N	-1	0	281.311	2.936	20	30		CFEDRM
C=C(Cl)CN(CCOCC)Cc1ccc(C(=O)[O-])o1	ZINC000736094452	574350904	/nfs/dbraw/zinc/35/09/04/574350904.db2.gz	GJVRRNQPNNZBJJ-UHFFFAOYSA-N	-1	0	287.743	2.569	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000736095714	574351267	/nfs/dbraw/zinc/35/12/67/574351267.db2.gz	AAOADCQKKLJJBM-VIFPVBQESA-N	-1	0	278.352	2.668	20	30		CFEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1	ZINC000736098194	574351301	/nfs/dbraw/zinc/35/13/01/574351301.db2.gz	VFLSYFYHWMXYEW-UHFFFAOYSA-N	-1	0	288.347	2.890	20	30		CFEDRM
C=CCOc1ccccc1CNCc1ccc(C(=O)[O-])o1	ZINC000736114502	574351665	/nfs/dbraw/zinc/35/16/65/574351665.db2.gz	URLGHOHWSZKGJJ-UHFFFAOYSA-N	-1	0	287.315	2.832	20	30		CFEDRM
C=CCOc1cccc(NC(=O)CCCN(C)C(=O)[O-])c1	ZINC000736114223	574351671	/nfs/dbraw/zinc/35/16/71/574351671.db2.gz	ORLCMTQTEHEJRQ-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736122173	574351956	/nfs/dbraw/zinc/35/19/56/574351956.db2.gz	WXNDPTMNWYTKLR-TUPIDYKKSA-N	-1	0	285.299	2.583	20	30		CFEDRM
Cc1nc(N=NC(C)c2ccccc2)sc1C(=O)[O-]	ZINC000736126310	574352271	/nfs/dbraw/zinc/35/22/71/574352271.db2.gz	OIGVEHJGUXWLLH-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C[C@@H](C#N)Oc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1	ZINC000736204121	574354234	/nfs/dbraw/zinc/35/42/34/574354234.db2.gz	YQBPBXVBZXTYLE-KPENOIPVSA-N	-1	0	294.310	2.998	20	30		CFEDRM
CC(C)(C)/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250029	574356987	/nfs/dbraw/zinc/35/69/87/574356987.db2.gz	FPPGSGTXANWSCW-MYSGNRETSA-N	-1	0	287.315	2.829	20	30		CFEDRM
Cc1ncsc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000743418807	574362583	/nfs/dbraw/zinc/36/25/83/574362583.db2.gz	KRNACWHADJJRKW-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
COCc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000743418936	574363808	/nfs/dbraw/zinc/36/38/08/574363808.db2.gz	NAURPHVSHRDEFW-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC000743431398	574363927	/nfs/dbraw/zinc/36/39/27/574363927.db2.gz	YNWYTGYOSLZYNY-FZMZJTMJSA-N	-1	0	288.347	2.988	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000751131922	574369943	/nfs/dbraw/zinc/36/99/43/574369943.db2.gz	VITRDEJCNYPUJY-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
CO[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000753139410	574399254	/nfs/dbraw/zinc/39/92/54/574399254.db2.gz	UFYCZXQGHWSWKW-RLCQEZNLSA-N	-1	0	278.308	2.533	20	30		CFEDRM
C=CCSc1ccccc1NC(=O)CSCC(=O)[O-]	ZINC000157601114	597084244	/nfs/dbraw/zinc/08/42/44/597084244.db2.gz	WWFLDMXOIXMFPO-UHFFFAOYSA-N	-1	0	297.401	2.721	20	30		CFEDRM
COc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1C#N	ZINC000818591379	597137739	/nfs/dbraw/zinc/13/77/39/597137739.db2.gz	ARBKBEJDJTWDPH-UHFFFAOYSA-N	-1	0	296.326	2.806	20	30		CFEDRM
COc1cccc(/C=N/Cc2ccc(C(=O)[O-])cc2)c1O	ZINC000818620665	597165580	/nfs/dbraw/zinc/16/55/80/597165580.db2.gz	LGFOUIGUBJZJOL-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
CCOc1cccc(/C=N/[C@H](C(=O)[O-])[C@@H](C)CC)c1O	ZINC000820387444	597393520	/nfs/dbraw/zinc/39/35/20/597393520.db2.gz	QWUUKJCTKMPMSR-SYPKWDICSA-N	-1	0	279.336	2.709	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CCCC)ON=C(C)C	ZINC000856033257	618423471	/nfs/dbraw/zinc/42/34/71/618423471.db2.gz	BCPIXWVPHMNIPE-LBPRGKRZSA-N	-1	0	256.346	2.582	20	30		CFEDRM
Cc1cc(NCc2ccc(C#N)o2)ccc1C(=O)[O-]	ZINC000821041802	597465249	/nfs/dbraw/zinc/46/52/49/597465249.db2.gz	RDMKMLYGHGZOQK-UHFFFAOYSA-N	-1	0	256.261	2.770	20	30		CFEDRM
CC(=NNCCC(=O)[O-])c1cccc(-c2ccncc2)c1	ZINC000819726739	597743379	/nfs/dbraw/zinc/74/33/79/597743379.db2.gz	QACAIJLFQMBOSQ-UHFFFAOYSA-N	-1	0	283.331	2.537	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)s1	ZINC000042317503	620640777	/nfs/dbraw/zinc/64/07/77/620640777.db2.gz	LEOCFVWGFWADQX-UHFFFAOYSA-N	-1	0	261.368	2.748	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000814694309	598095294	/nfs/dbraw/zinc/09/52/94/598095294.db2.gz	DYZZANLWXVLLQY-UHFFFAOYSA-N	-1	0	277.280	2.638	20	30		CFEDRM
C[C@H](NN=C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000814815145	598096950	/nfs/dbraw/zinc/09/69/50/598096950.db2.gz	OKDOQUFHNIGWNG-AMGKYWFPSA-N	-1	0	260.337	2.968	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NCCCCC(=O)[O-]	ZINC000071385651	598164804	/nfs/dbraw/zinc/16/48/04/598164804.db2.gz	JMLGNVRIQUOOCR-UHFFFAOYSA-N	-1	0	269.304	2.773	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccncc2)c1	ZINC000774106909	598201347	/nfs/dbraw/zinc/20/13/47/598201347.db2.gz	VKLPYMZTDZKFGK-PLNGDYQASA-N	-1	0	253.257	2.676	20	30		CFEDRM
N#CCCN(Cc1cccc(C(=O)[O-])c1)CC1CC1	ZINC000821324463	598211424	/nfs/dbraw/zinc/21/14/24/598211424.db2.gz	FWBQTGAFBCKWRY-UHFFFAOYSA-N	-1	0	258.321	2.510	20	30		CFEDRM
C[C@H](CCC1CCCCC1)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820095487	598227663	/nfs/dbraw/zinc/22/76/63/598227663.db2.gz	FHKGRHINCKKXNM-WBMJQRKESA-N	-1	0	294.395	2.856	20	30		CFEDRM
C=CCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2	ZINC000054399663	599833877	/nfs/dbraw/zinc/83/38/77/599833877.db2.gz	HVYRZZYYVUUWNH-UHFFFAOYSA-N	-1	0	265.334	2.840	20	30		CFEDRM
N#CC1(NC(=O)c2cccc(NC(=O)[O-])c2)CCCCC1	ZINC000739066776	599935758	/nfs/dbraw/zinc/93/57/58/599935758.db2.gz	QGHDSTJYNACEJE-UHFFFAOYSA-N	-1	0	287.319	2.733	20	30		CFEDRM
Cc1cc(C#N)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000738314159	599993916	/nfs/dbraw/zinc/99/39/16/599993916.db2.gz	VLYTWLBOBDOPNU-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC(CC(=O)[O-])CC1	ZINC000093679973	600205318	/nfs/dbraw/zinc/20/53/18/600205318.db2.gz	CHKCBDMMCMNIKV-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000163182861	600265620	/nfs/dbraw/zinc/26/56/20/600265620.db2.gz	KSSXMOCYPUJGTI-JTQLQIEISA-N	-1	0	262.309	2.779	20	30		CFEDRM
C[C@H](CSCc1cn2ccccc2c1C#N)C(=O)[O-]	ZINC000086109839	600604269	/nfs/dbraw/zinc/60/42/69/600604269.db2.gz	KFEPXPZXXMCWTE-SNVBAGLBSA-N	-1	0	274.345	2.765	20	30		CFEDRM
C=CCOCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000825698298	600692582	/nfs/dbraw/zinc/69/25/82/600692582.db2.gz	CAKLTUILSGILSU-UHFFFAOYSA-N	-1	0	288.303	2.570	20	30		CFEDRM
COCCCCCON=Cc1ccc(C(=O)[O-])cc1	ZINC000831692314	600800641	/nfs/dbraw/zinc/80/06/41/600800641.db2.gz	NRGWCEJOZYFJCI-UHFFFAOYSA-N	-1	0	265.309	2.552	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000825698789	600863143	/nfs/dbraw/zinc/86/31/43/600863143.db2.gz	JNCVVRDFOOHWNE-UHFFFAOYSA-N	-1	0	278.308	2.698	20	30		CFEDRM
CC(C)C[C@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000826813603	600955356	/nfs/dbraw/zinc/95/53/56/600955356.db2.gz	ORRXADPEEMMLDJ-AWEZNQCLSA-N	-1	0	289.331	2.533	20	30		CFEDRM
N#CCN(CCCOc1ccc2ccccc2c1)CC(=O)[O-]	ZINC000833066950	601005444	/nfs/dbraw/zinc/00/54/44/601005444.db2.gz	LVAFFYFXPIQVGN-UHFFFAOYSA-N	-1	0	298.342	2.519	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1	ZINC000833072529	601061937	/nfs/dbraw/zinc/06/19/37/601061937.db2.gz	UKLUJXLTZRRXIF-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
C#CCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000229854251	601069634	/nfs/dbraw/zinc/06/96/34/601069634.db2.gz	NPLGVGVQGBWWKL-UHFFFAOYSA-N	-1	0	280.711	2.573	20	30		CFEDRM
N#C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000821319951	601139659	/nfs/dbraw/zinc/13/96/59/601139659.db2.gz	CGZGGBWLMSEYSW-AWEZNQCLSA-N	-1	0	286.331	2.587	20	30		CFEDRM
N#Cc1ccc(/C=C(/C(=O)[O-])c2ccncc2)s1	ZINC000833070704	601200372	/nfs/dbraw/zinc/20/03/72/601200372.db2.gz	AACROMGNFWAJGY-KPKJPENVSA-N	-1	0	256.286	2.640	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1	ZINC000833072406	601276777	/nfs/dbraw/zinc/27/67/77/601276777.db2.gz	TWHNHGHBIQDEAT-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
CN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830856169	601309525	/nfs/dbraw/zinc/30/95/25/601309525.db2.gz	JHMZNJIYESJQOC-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)C2	ZINC000832962307	601332851	/nfs/dbraw/zinc/33/28/51/601332851.db2.gz	TXJDIGKKDPGKRL-DHZHZOJOSA-N	-1	0	267.284	2.844	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)c(F)c2)[nH]1	ZINC000833312866	601338479	/nfs/dbraw/zinc/33/84/79/601338479.db2.gz	YOIDPFOYRVHSNS-UHFFFAOYSA-N	-1	0	281.674	2.951	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)C2CCCCC2)C(=O)[O-])c1	ZINC000833074887	601344312	/nfs/dbraw/zinc/34/43/12/601344312.db2.gz	GAUOQMISYLHJND-AWEZNQCLSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)c2ccccc2)C(=O)[O-])c1	ZINC000833077384	601345594	/nfs/dbraw/zinc/34/55/94/601345594.db2.gz	QSMNEUSUERHLMF-AWEZNQCLSA-N	-1	0	281.267	2.541	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)[C@@H]2CC=CCC2)C(=O)[O-])c1	ZINC000833075101	601346039	/nfs/dbraw/zinc/34/60/39/601346039.db2.gz	HOFJTONJVNHIDI-OCCSQVGLSA-N	-1	0	285.299	2.583	20	30		CFEDRM
CCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829210063	601349065	/nfs/dbraw/zinc/34/90/65/601349065.db2.gz	YHWJSQVJHAXYEG-ZWNOBZJWSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC(F)(F)CCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000827603192	601349126	/nfs/dbraw/zinc/34/91/26/601349126.db2.gz	HZJZYKMRNHLIHY-GFCCVEGCSA-N	-1	0	297.257	2.663	20	30		CFEDRM
C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccco1	ZINC000826061182	601354381	/nfs/dbraw/zinc/35/43/81/601354381.db2.gz	CRUJPTHEYDSONP-QMTHXVAHSA-N	-1	0	299.282	2.624	20	30		CFEDRM
CCCCC[C@H](/N=C\c1c(O)cccc1OC)C(=O)[O-]	ZINC000829311836	601365514	/nfs/dbraw/zinc/36/55/14/601365514.db2.gz	MPHLTYGCGWURCG-KPENOIPVSA-N	-1	0	279.336	2.853	20	30		CFEDRM
Cc1cc(CN(CCC#N)Cc2ccco2)oc1C(=O)[O-]	ZINC000832881798	601378032	/nfs/dbraw/zinc/37/80/32/601378032.db2.gz	NJHGOMSKFDRXDB-UHFFFAOYSA-N	-1	0	288.303	2.795	20	30		CFEDRM
C=CCCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000237735197	601394490	/nfs/dbraw/zinc/39/44/90/601394490.db2.gz	XMEOODLBPMBYNV-RISCZKNCSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CC[N@@H+](Cc1cc(C(=O)[O-])oc1CC)C(C)C	ZINC000825682155	601413038	/nfs/dbraw/zinc/41/30/38/601413038.db2.gz	QADQBYVCEZKRRA-UHFFFAOYSA-N	-1	0	251.326	2.937	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)s1	ZINC000833070840	601469533	/nfs/dbraw/zinc/46/95/33/601469533.db2.gz	AXHHEBFXKRGJGR-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000827214039	601619629	/nfs/dbraw/zinc/61/96/29/601619629.db2.gz	WUCMICQYANMMIZ-VIFPVBQESA-N	-1	0	276.296	2.542	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000825659720	601701928	/nfs/dbraw/zinc/70/19/28/601701928.db2.gz	AYUDIJSMWXTDLL-ZJUUUORDSA-N	-1	0	279.361	2.556	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825660102	601754338	/nfs/dbraw/zinc/75/43/38/601754338.db2.gz	STEXJQRXTDAIOG-SSDOTTSWSA-N	-1	0	267.260	2.612	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000158824598	601757983	/nfs/dbraw/zinc/75/79/83/601757983.db2.gz	XPIOOJOZLFWKPU-JTQLQIEISA-N	-1	0	276.336	2.745	20	30		CFEDRM
Cc1ccccc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832975920	601791168	/nfs/dbraw/zinc/79/11/68/601791168.db2.gz	BYRLJBYIRVWOCV-SREVYHEPSA-N	-1	0	255.273	2.917	20	30		CFEDRM
CN(C)c1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830634882	601791759	/nfs/dbraw/zinc/79/17/59/601791759.db2.gz	DRYQTYKMSGEUSZ-BAQGIRSFSA-N	-1	0	284.315	2.675	20	30		CFEDRM
N#Cc1ccc2c(c1)CC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000833074120	601794017	/nfs/dbraw/zinc/79/40/17/601794017.db2.gz	PFOPAJPGEUFMEA-AWNIVKPZSA-N	-1	0	292.294	2.797	20	30		CFEDRM
N#CCN(Cc1ccsc1C(=O)[O-])C1CCCC1	ZINC000833067066	601829554	/nfs/dbraw/zinc/82/95/54/601829554.db2.gz	PHODBPGNSCTDBV-UHFFFAOYSA-N	-1	0	264.350	2.714	20	30		CFEDRM
C=CCc1cc(OCC)ccc1OC(=O)[C@H](C)CC(=O)[O-]	ZINC000825705508	602179741	/nfs/dbraw/zinc/17/97/41/602179741.db2.gz	KFRHULYUTFENEB-LLVKDONJSA-N	-1	0	292.331	2.830	20	30		CFEDRM
CN(Cc1cc(F)ccc1C#N)[C@@H](C(=O)[O-])c1ccccc1	ZINC000830806952	602327359	/nfs/dbraw/zinc/32/73/59/602327359.db2.gz	ZMCKJVFWMJHVFS-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1	ZINC000823496716	603038921	/nfs/dbraw/zinc/03/89/21/603038921.db2.gz	OUXNVOLNRXJKFM-NSHDSACASA-N	-1	0	293.319	2.687	20	30		CFEDRM
CC(C)[C@H](CNc1c(Cl)cccc1C#N)NC(=O)[O-]	ZINC000824123163	603190955	/nfs/dbraw/zinc/19/09/55/603190955.db2.gz	OVDCYHCVBVQEDD-NSHDSACASA-N	-1	0	281.743	2.916	20	30		CFEDRM
C#CCCCNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823444989	603369880	/nfs/dbraw/zinc/36/98/80/603369880.db2.gz	SINYZRANJRKBSF-NSHDSACASA-N	-1	0	289.335	2.550	20	30		CFEDRM
Cc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1NC(=O)[O-]	ZINC000830182101	603402130	/nfs/dbraw/zinc/40/21/30/603402130.db2.gz	QCJXJBQZLZDJMJ-UHFFFAOYSA-N	-1	0	287.319	2.603	20	30		CFEDRM
Cc1ccc(C(=O)O[C@@H](C)CC#N)cc1NC(=O)[O-]	ZINC000830238886	603448453	/nfs/dbraw/zinc/44/84/53/603448453.db2.gz	UTHULUFJOBULJK-VIFPVBQESA-N	-1	0	262.265	2.544	20	30		CFEDRM
N#C[C@H]1CN(C(=O)[O-])CCN1Cc1cccc2ccccc21	ZINC000831092860	603730042	/nfs/dbraw/zinc/73/00/42/603730042.db2.gz	ZHOLIRIVQYBMQN-HNNXBMFYSA-N	-1	0	295.342	2.528	20	30		CFEDRM
C=CCCCOC(=O)C(C)(C)C(C)(C)NC(=O)[O-]	ZINC000823496036	603772770	/nfs/dbraw/zinc/77/27/70/603772770.db2.gz	CNQHMACYXQVYNK-UHFFFAOYSA-N	-1	0	257.330	2.568	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CSC)C(=O)[O-])c1	ZINC000900355302	620664139	/nfs/dbraw/zinc/66/41/39/620664139.db2.gz	KPIJKKVKSNXMNO-GFCCVEGCSA-N	-1	0	294.376	2.657	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1	ZINC000823496509	603869445	/nfs/dbraw/zinc/86/94/45/603869445.db2.gz	KKBYDHYPOKJGFH-UONOGXRCSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=CCCCC(=O)N1CCN(C(=O)[O-])Cc2ccccc21	ZINC000823496759	603996441	/nfs/dbraw/zinc/99/64/41/603996441.db2.gz	PJDDDYRFXRZPJO-UHFFFAOYSA-N	-1	0	288.347	2.870	20	30		CFEDRM
C=C(Cl)COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000823486076	604063335	/nfs/dbraw/zinc/06/33/35/604063335.db2.gz	OFDBFYCVEDVFFQ-GFCCVEGCSA-N	-1	0	297.738	2.551	20	30		CFEDRM
N#Cc1cccnc1Oc1cccc(CNC(=O)[O-])c1	ZINC000831156703	604203580	/nfs/dbraw/zinc/20/35/80/604203580.db2.gz	HITNHTQWYMIMNT-UHFFFAOYSA-N	-1	0	269.260	2.513	20	30		CFEDRM
COc1cc(F)cc(N=NC2CCC[C@H]2CNC(=O)[O-])c1	ZINC000829141578	604304921	/nfs/dbraw/zinc/30/49/21/604304921.db2.gz	DLJGTTVOFDKWFV-VIFPVBQESA-N	-1	0	295.314	2.670	20	30		CFEDRM
C=CCCOC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823496538	604413585	/nfs/dbraw/zinc/41/35/85/604413585.db2.gz	KZKACGSGFLHNQQ-VXGBXAGGSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H](C)S1	ZINC000833629700	604610365	/nfs/dbraw/zinc/61/03/65/604610365.db2.gz	LLRQKJOELIZHLI-GHMZBOCLSA-N	-1	0	290.388	2.582	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2o1	ZINC000042343256	620676671	/nfs/dbraw/zinc/67/66/71/620676671.db2.gz	ILWSBSMKEKOABA-UHFFFAOYSA-N	-1	0	281.333	2.867	20	30		CFEDRM
C[C@@H]1C[C@@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763371678	604668376	/nfs/dbraw/zinc/66/83/76/604668376.db2.gz	HUQVARRLKPPHNQ-SKDRFNHKSA-N	-1	0	285.303	2.942	20	30		CFEDRM
Cc1cccc(CNN=C2CCC(NC(=O)[O-])CC2)c1	ZINC000830498083	604677979	/nfs/dbraw/zinc/67/79/79/604677979.db2.gz	LLFLNTZEXTYVSR-UHFFFAOYSA-N	-1	0	275.352	2.651	20	30		CFEDRM
C#CC[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC000833362815	604716428	/nfs/dbraw/zinc/71/64/28/604716428.db2.gz	MANJJKUVYYUXRV-CYBMUJFWSA-N	-1	0	266.300	2.956	20	30		CFEDRM
CCN(Cc1ccoc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829734644	604737568	/nfs/dbraw/zinc/73/75/68/604737568.db2.gz	IISGUYKTJHDMSD-OAHLLOKOSA-N	-1	0	284.315	2.799	20	30		CFEDRM
C=C[C@@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000761624583	604757879	/nfs/dbraw/zinc/75/78/79/604757879.db2.gz	MXLJSOZZBRGBML-LBPRGKRZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
Cc1oc(COc2ccc(C#N)cc2F)cc1C(=O)[O-]	ZINC000232362528	604760656	/nfs/dbraw/zinc/76/06/56/604760656.db2.gz	YMVWJYMWYFMEBE-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
C#CCCCOc1cc(Br)cc(C(=O)[O-])c1	ZINC000396427708	604795255	/nfs/dbraw/zinc/79/52/55/604795255.db2.gz	YHTKPCBLKBJAHY-UHFFFAOYSA-N	-1	0	283.121	2.940	20	30		CFEDRM
C=CCN(CC=C)c1nc(Cl)c(C(=O)[O-])s1	ZINC000087768130	604821415	/nfs/dbraw/zinc/82/14/15/604821415.db2.gz	PUJVBVCLFXYVPB-UHFFFAOYSA-N	-1	0	258.730	2.673	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](COc2ccc(C#N)cc2Cl)O1	ZINC000833577105	604887265	/nfs/dbraw/zinc/88/72/65/604887265.db2.gz	GGPVDMXGIOGSFY-JTQLQIEISA-N	-1	0	293.706	2.738	20	30		CFEDRM
C#CCCNc1ccc(OCC(=O)[O-])c2ccccc12	ZINC000833364774	604904190	/nfs/dbraw/zinc/90/41/90/604904190.db2.gz	DLRBBTALGPBBTE-UHFFFAOYSA-N	-1	0	269.300	2.738	20	30		CFEDRM
C=C(Cl)CN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148061067	604951060	/nfs/dbraw/zinc/95/10/60/604951060.db2.gz	DPFAJZRRBOIPSP-JTQLQIEISA-N	-1	0	251.713	2.817	20	30		CFEDRM
C=C(Br)CN1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000148074271	604951389	/nfs/dbraw/zinc/95/13/89/604951389.db2.gz	GRWIQMHFTUNGEJ-JTQLQIEISA-N	-1	0	296.164	2.974	20	30		CFEDRM
C[C@H](CC#N)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000827217404	604984318	/nfs/dbraw/zinc/98/43/18/604984318.db2.gz	CWRKEFOXWOIHOX-LLVKDONJSA-N	-1	0	297.314	2.870	20	30		CFEDRM
C=C(CC)CNc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000833370153	605005263	/nfs/dbraw/zinc/00/52/63/605005263.db2.gz	LKIYEJARSNTFBH-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COC(=O)C#Cc1ccccc1	ZINC000833680456	605015061	/nfs/dbraw/zinc/01/50/61/605015061.db2.gz	JWNHTPADZFCYLX-UHFFFAOYSA-N	-1	0	298.294	2.635	20	30		CFEDRM
C=CCCC[C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833374340	605021826	/nfs/dbraw/zinc/02/18/26/605021826.db2.gz	YAVCRILIIDELPP-QWRGUYRKSA-N	-1	0	257.330	2.567	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(F)cc1C#N	ZINC000833455493	605032821	/nfs/dbraw/zinc/03/28/21/605032821.db2.gz	SUCYNFAVZDTQAU-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000833373918	605076691	/nfs/dbraw/zinc/07/66/91/605076691.db2.gz	IWIWWSGTJQWDDX-VIFPVBQESA-N	-1	0	278.352	2.804	20	30		CFEDRM
COCCCC(C)N=Nc1ccccc1C(=O)[O-]	ZINC000759197681	605097728	/nfs/dbraw/zinc/09/77/28/605097728.db2.gz	VHXKHJBYVMZDBI-UHFFFAOYSA-N	-1	0	250.298	2.599	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(F)cc1	ZINC000812442492	605098879	/nfs/dbraw/zinc/09/88/79/605098879.db2.gz	DPRBDKOQJAFURM-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833373391	605119249	/nfs/dbraw/zinc/11/92/49/605119249.db2.gz	NDRBITMMYRWNSB-VOMCLLRMSA-N	-1	0	254.326	2.775	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000164758142	605128282	/nfs/dbraw/zinc/12/82/82/605128282.db2.gz	LIHGGVURTPSLMP-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000833364372	605135982	/nfs/dbraw/zinc/13/59/82/605135982.db2.gz	LBGVDPBVTPUBQN-UHFFFAOYSA-N	-1	0	288.347	2.995	20	30		CFEDRM
C=CCn1c(C)nnc1S[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000833379901	605149389	/nfs/dbraw/zinc/14/93/89/605149389.db2.gz	PJQTWEPRSBFTJG-JTQLQIEISA-N	-1	0	283.397	2.754	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1cccc(NC(=O)[O-])c1	ZINC000833408523	605159287	/nfs/dbraw/zinc/15/92/87/605159287.db2.gz	TVQPTKAPZDKSLM-UHFFFAOYSA-N	-1	0	276.292	2.873	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833407818	605160747	/nfs/dbraw/zinc/16/07/47/605160747.db2.gz	PVAKDRFNJIBMIT-UHFFFAOYSA-N	-1	0	289.331	2.800	20	30		CFEDRM
C#CCCCSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833362543	605180931	/nfs/dbraw/zinc/18/09/31/605180931.db2.gz	XGZQSQMSTSCKAX-UHFFFAOYSA-N	-1	0	292.356	2.818	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](CSc2ccc(C#N)cc2F)O1	ZINC000833579414	605236793	/nfs/dbraw/zinc/23/67/93/605236793.db2.gz	BTNIGWIIHHYWEH-SNVBAGLBSA-N	-1	0	293.319	2.937	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NNCCC(C)(C)C)cc1)C(=O)[O-]	ZINC000794928249	605262096	/nfs/dbraw/zinc/26/20/96/605262096.db2.gz	DHWNNERLGUUCCH-GFCCVEGCSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC(=NNc1ccccc1)c1ccccc1OCC(=O)[O-]	ZINC000833387091	605323465	/nfs/dbraw/zinc/32/34/65/605323465.db2.gz	NHWBZNQTOSEUFE-UHFFFAOYSA-N	-1	0	284.315	2.986	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1	ZINC000042344508	620684240	/nfs/dbraw/zinc/68/42/40/620684240.db2.gz	MAPFHCIKXBHODD-LLVKDONJSA-N	-1	0	285.365	2.540	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])s2)C1	ZINC000833551084	605419321	/nfs/dbraw/zinc/41/93/21/605419321.db2.gz	GISMLEHIOXLMBS-CYBMUJFWSA-N	-1	0	264.350	2.572	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1	ZINC000833551917	605477867	/nfs/dbraw/zinc/47/78/67/605477867.db2.gz	VNGDHFKZGJBJLI-OAHLLOKOSA-N	-1	0	287.319	2.542	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1	ZINC000833814353	605492278	/nfs/dbraw/zinc/49/22/78/605492278.db2.gz	AYGUSDMETBXCJM-GXSJLCMTSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000833819357	605499770	/nfs/dbraw/zinc/49/97/70/605499770.db2.gz	TYTSWSLFIYYUSK-GXSJLCMTSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000833361955	605623694	/nfs/dbraw/zinc/62/36/94/605623694.db2.gz	SZLRBQCSBCAUDF-OAHLLOKOSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C#CCCCCCC(=O)OCc1ccoc1C(=O)[O-]	ZINC000833361978	605673348	/nfs/dbraw/zinc/67/33/48/605673348.db2.gz	UUILMICIOZBUNG-UHFFFAOYSA-N	-1	0	264.277	2.605	20	30		CFEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833361865	605673660	/nfs/dbraw/zinc/67/36/60/605673660.db2.gz	PPFLPEYPTRWCSP-INIZCTEOSA-N	-1	0	299.326	2.811	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC1CCCC1	ZINC000834101921	605724021	/nfs/dbraw/zinc/72/40/21/605724021.db2.gz	BRQQICRIRHUKNS-OCCSQVGLSA-N	-1	0	279.384	2.817	20	30		CFEDRM
N#CC1(c2nc([C@H]3CCCCCN3C(=O)[O-])no2)CCC1	ZINC000833963925	605724500	/nfs/dbraw/zinc/72/45/00/605724500.db2.gz	WWQAUPJIRKIMEW-SNVBAGLBSA-N	-1	0	290.323	2.610	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2ccccc2NC(=O)[O-])CC1	ZINC000833550512	605765919	/nfs/dbraw/zinc/76/59/19/605765919.db2.gz	ANCXGUJKLSUMQD-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ccccc1Cl	ZINC000834169544	605857192	/nfs/dbraw/zinc/85/71/92/605857192.db2.gz	NJCFUIMOEPZPKO-SNVBAGLBSA-N	-1	0	267.716	2.928	20	30		CFEDRM
N#C[C@H](OC(=O)CC1(NC(=O)[O-])CCC1)C1CCCCC1	ZINC000833960434	606017629	/nfs/dbraw/zinc/01/76/29/606017629.db2.gz	IUZNFAYXGWYESA-LBPRGKRZSA-N	-1	0	294.351	2.582	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCCCC1=NOCc1cccnc1	ZINC000834185954	606080260	/nfs/dbraw/zinc/08/02/60/606080260.db2.gz	RSWNELQYHJSUHE-GFCCVEGCSA-N	-1	0	277.324	2.555	20	30		CFEDRM
CCC[C@@H](C)C(CC)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821014078	606237452	/nfs/dbraw/zinc/23/74/52/606237452.db2.gz	BNXPPKCATBTHQW-MRVPVSSYSA-N	-1	0	291.359	2.777	20	30		CFEDRM
CCCCCN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1	ZINC000825266728	607887570	/nfs/dbraw/zinc/88/75/70/607887570.db2.gz	GZQNFXISQWZTAX-UHFFFAOYSA-N	-1	0	291.359	2.740	20	30		CFEDRM
CC[C@H](C(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1	ZINC000049417405	617604111	/nfs/dbraw/zinc/60/41/11/617604111.db2.gz	URBCURSXDPEOAW-LBPRGKRZSA-N	-1	0	269.366	2.875	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCc1cc(F)ccc1F	ZINC000049417604	617604221	/nfs/dbraw/zinc/60/42/21/617604221.db2.gz	YZOAIRNLRXWSSG-UHFFFAOYSA-N	-1	0	291.319	2.592	20	30		CFEDRM
COc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000022727337	617798532	/nfs/dbraw/zinc/79/85/32/617798532.db2.gz	MRTLQWACGOQCQD-MHWRWJLKSA-N	-1	0	286.287	2.928	20	30		CFEDRM
[O-]c1cc(Cl)c(C=NN[C@H]2CCCOC2)cc1Cl	ZINC000780262602	618079503	/nfs/dbraw/zinc/07/95/03/618079503.db2.gz	PAVUOMSMYDGWIO-VIFPVBQESA-N	-1	0	289.162	2.802	20	30		CFEDRM
CC[C@@H](CNc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000900976140	620735874	/nfs/dbraw/zinc/73/58/74/620735874.db2.gz	HWHMLSKJEUOWJC-NSHDSACASA-N	-1	0	269.304	2.629	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	ZINC000049417696	617604035	/nfs/dbraw/zinc/60/40/35/617604035.db2.gz	JIDVOGDFSXDGQT-NEPJUHHUSA-N	-1	0	285.340	2.624	20	30		CFEDRM
Cc1ccc(CCC(=O)[N-]S(=O)(=O)C(C)C)c(C)c1	ZINC000049417982	617604272	/nfs/dbraw/zinc/60/42/72/617604272.db2.gz	PDKATQIYEBVLTN-UHFFFAOYSA-N	-1	0	283.393	2.931	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C(C)C)c(C)s1	ZINC000049501816	617606978	/nfs/dbraw/zinc/60/69/78/617606978.db2.gz	MBQFZPKIOHYUTO-UHFFFAOYSA-N	-1	0	261.368	2.666	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501611	617607237	/nfs/dbraw/zinc/60/72/37/617607237.db2.gz	VBYQPVMYLMVSAZ-QMTHXVAHSA-N	-1	0	291.372	2.916	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514178	617607979	/nfs/dbraw/zinc/60/79/79/617607979.db2.gz	VHDXCEOMCAXFHJ-UHFFFAOYSA-N	-1	0	259.371	2.819	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514259	617608050	/nfs/dbraw/zinc/60/80/50/617608050.db2.gz	JCZIBHWKVCUENH-MWLCHTKSSA-N	-1	0	259.371	2.509	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(O)c(F)c1	ZINC000891465071	617621914	/nfs/dbraw/zinc/62/19/14/617621914.db2.gz	PKGKNPZIYFWYPT-UHFFFAOYSA-N	-1	0	250.317	2.903	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000890550004	617641156	/nfs/dbraw/zinc/64/11/56/617641156.db2.gz	GRRAPUUQEZEJCP-VIFPVBQESA-N	-1	0	296.710	2.744	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cccc(C(=O)[O-])c1	ZINC000811669549	617698643	/nfs/dbraw/zinc/69/86/43/617698643.db2.gz	QOPLUMHSERIERW-PSWGYPDDSA-N	-1	0	253.685	2.878	20	30		CFEDRM
CCN(Cc1ncc(Br)cc1[O-])C[C@H](C)C#N	ZINC000891716824	617725631	/nfs/dbraw/zinc/72/56/31/617725631.db2.gz	XKURMZVXOLGOCR-SECBINFHSA-N	-1	0	298.184	2.531	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccncc2)c1[O-]	ZINC000022726797	617797599	/nfs/dbraw/zinc/79/75/99/617797599.db2.gz	MLVUSYBNWDONRH-LZYBPNLTSA-N	-1	0	291.694	2.968	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cccnc1	ZINC000255426799	617890981	/nfs/dbraw/zinc/89/09/81/617890981.db2.gz	PCZWXLKMMGECIK-UTCJRWHESA-N	-1	0	270.244	2.592	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(Cl)c1	ZINC000119684952	617959164	/nfs/dbraw/zinc/95/91/64/617959164.db2.gz	APZVTCVKQPAYIW-CYBMUJFWSA-N	-1	0	290.750	2.721	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCc2ccccn2)c1	ZINC000255472947	617970242	/nfs/dbraw/zinc/97/02/42/617970242.db2.gz	KKSFXEAXLWDMFM-WJDWOHSUSA-N	-1	0	285.303	2.747	20	30		CFEDRM
CO[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000121050002	617972047	/nfs/dbraw/zinc/97/20/47/617972047.db2.gz	MZNSJLMIAGMGAS-HKKDXBLNSA-N	-1	0	298.726	2.940	20	30		CFEDRM
O=C([O-])c1cc(C=NNCC(F)(F)F)sc1Cl	ZINC000901219640	620767109	/nfs/dbraw/zinc/76/71/09/620767109.db2.gz	HNIYYCFQFCEHOW-UHFFFAOYSA-N	-1	0	286.662	2.586	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(C(C)(C)C)oc1C)C(=O)[O-]	ZINC000901246103	620771015	/nfs/dbraw/zinc/77/10/15/620771015.db2.gz	LCYFMODIVGFCKD-LLVKDONJSA-N	-1	0	266.341	2.672	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NN[C@@H](C)C(C)(C)C	ZINC000901247090	620771364	/nfs/dbraw/zinc/77/13/64/620771364.db2.gz	YIRIQWWUKNMWOH-JTQLQIEISA-N	-1	0	278.352	2.752	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)cc1C	ZINC000048474471	618071843	/nfs/dbraw/zinc/07/18/43/618071843.db2.gz	BKTAEROKVVAGBG-LBPRGKRZSA-N	-1	0	297.376	2.518	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3c(c2)CCO3)c1	ZINC000255523879	618088267	/nfs/dbraw/zinc/08/82/67/618088267.db2.gz	STCYEKZUHBSSBN-UHFFFAOYSA-N	-1	0	284.271	2.986	20	30		CFEDRM
Cc1c(NN=Cc2cn(C)nc2C2CC2)cccc1C(=O)[O-]	ZINC000901261901	620777721	/nfs/dbraw/zinc/77/77/21/620777721.db2.gz	QQVPKBNJPKABNS-UHFFFAOYSA-N	-1	0	298.346	2.750	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]O[C@@H]1CCCCO1	ZINC000780980831	618127832	/nfs/dbraw/zinc/12/78/32/618127832.db2.gz	UMAJAHDORAPWLC-CHWSQXEVSA-N	-1	0	286.372	2.532	20	30		CFEDRM
Cc1cncc(/C=C\C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000255266252	618152468	/nfs/dbraw/zinc/15/24/68/618152468.db2.gz	RTQZBHXMLUWFME-HYXAFXHYSA-N	-1	0	279.299	2.619	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@H]1C	ZINC000073289744	618193237	/nfs/dbraw/zinc/19/32/37/618193237.db2.gz	KFHMDYFRLXYTGV-NEPJUHHUSA-N	-1	0	291.413	2.524	20	30		CFEDRM
Cc1ccc(C=NNC2C[C@@H](C)O[C@H](C)C2)cc1C(=O)[O-]	ZINC000901298199	620785164	/nfs/dbraw/zinc/78/51/64/620785164.db2.gz	BOQRLIUVHQDEKR-VXGBXAGGSA-N	-1	0	290.363	2.573	20	30		CFEDRM
C[C@@H]1CC(NN=Cc2ccc(F)c(F)c2[O-])C[C@@H](C)O1	ZINC000901298389	620785246	/nfs/dbraw/zinc/78/52/46/620785246.db2.gz	DPTOOQHQUYDSJY-RKDXNWHRSA-N	-1	0	284.306	2.550	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)Cc1ccccc1-2	ZINC000075796985	618202592	/nfs/dbraw/zinc/20/25/92/618202592.db2.gz	DSNTWTOWCFSHLE-UHFFFAOYSA-N	-1	0	287.340	2.522	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(Cl)nc2)c1	ZINC000176813977	618204937	/nfs/dbraw/zinc/20/49/37/618204937.db2.gz	JWWLKPKSXWVTLU-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1cccc(OCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176817709	618205351	/nfs/dbraw/zinc/20/53/51/618205351.db2.gz	QZRPGVSESARCDC-UHFFFAOYSA-N	-1	0	282.299	2.590	20	30		CFEDRM
N#Cc1ccccc1C(F)(F)C(=O)[N-]OC1CCCC1	ZINC000901330230	620786649	/nfs/dbraw/zinc/78/66/49/620786649.db2.gz	QSQKYRPDEDYDBN-UHFFFAOYSA-N	-1	0	280.274	2.640	20	30		CFEDRM
CC(N=N[C@@H]1CCCC[C@H]1O)[C@H](C)CCCCC(=O)[O-]	ZINC000901335349	620788025	/nfs/dbraw/zinc/78/80/25/620788025.db2.gz	ZYVVSPNRFRXLJQ-MRVWCRGKSA-N	-1	0	284.400	2.537	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000892406925	618229820	/nfs/dbraw/zinc/22/98/20/618229820.db2.gz	RXUMMZJLHCSHNK-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
C=CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C	ZINC000162348632	618268215	/nfs/dbraw/zinc/26/82/15/618268215.db2.gz	MDJIILHUUNGXPO-ZDUSSCGKSA-N	-1	0	284.400	2.729	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cscc1C(F)F	ZINC000892457190	618293425	/nfs/dbraw/zinc/29/34/25/618293425.db2.gz	FQWLUHJHIRTYMY-QMMMGPOBSA-N	-1	0	298.314	2.631	20	30		CFEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cccc1[N+](=O)[O-]	ZINC000179735802	618343166	/nfs/dbraw/zinc/34/31/66/618343166.db2.gz	PIOREPVGYIUJAV-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cscc1C(F)F	ZINC000892499398	618394869	/nfs/dbraw/zinc/39/48/69/618394869.db2.gz	WXQKRWZQDRFSPO-ZETCQYMHSA-N	-1	0	286.303	2.533	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccccc2O)cc1	ZINC000254308777	618406246	/nfs/dbraw/zinc/40/62/46/618406246.db2.gz	LVRFDKIEKFOQDO-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CCCC)ON=C(C)C	ZINC000856033255	618424131	/nfs/dbraw/zinc/42/41/31/618424131.db2.gz	BCPIXWVPHMNIPE-GFCCVEGCSA-N	-1	0	256.346	2.582	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909509827	618492475	/nfs/dbraw/zinc/49/24/75/618492475.db2.gz	ZKMRQKWHDYFJIP-SECBINFHSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)C2CCCCC2)CC1	ZINC000892644538	618670007	/nfs/dbraw/zinc/67/00/07/618670007.db2.gz	TUHHVIBNFKDVLG-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(Cl)nc2)ccc1O	ZINC000777437772	618955060	/nfs/dbraw/zinc/95/50/60/618955060.db2.gz	LMTIMCIEDHNZFX-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c(F)c1F	ZINC000909372011	619017866	/nfs/dbraw/zinc/01/78/66/619017866.db2.gz	MFQFUUKXZHOKRT-SDBXPKJASA-N	-1	0	283.274	2.590	20	30		CFEDRM
CCCCNN=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814805393	619259941	/nfs/dbraw/zinc/25/99/41/619259941.db2.gz	DOKJFUKUJLNWDS-GFCCVEGCSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CCCCNN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814805682	619259973	/nfs/dbraw/zinc/25/99/73/619259973.db2.gz	KZNVDHIPXRFWLC-NEPJUHHUSA-N	-1	0	254.374	2.889	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)c(C)c1	ZINC000048476537	619342532	/nfs/dbraw/zinc/34/25/32/619342532.db2.gz	FUVOONNROLAFNV-GFCCVEGCSA-N	-1	0	297.376	2.518	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048496128	619344860	/nfs/dbraw/zinc/34/48/60/619344860.db2.gz	SKYBNYXKNRSOCR-SSDOTTSWSA-N	-1	0	293.797	2.737	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(C)cc1	ZINC000048518533	619348416	/nfs/dbraw/zinc/34/84/16/619348416.db2.gz	SGIWVFWHYRIVAN-GFCCVEGCSA-N	-1	0	299.392	2.849	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)cc1	ZINC000048518090	619348435	/nfs/dbraw/zinc/34/84/35/619348435.db2.gz	XQPYBBDBXOPFFP-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1	ZINC000048519001	619349434	/nfs/dbraw/zinc/34/94/34/619349434.db2.gz	UDTJYWBKVXIGDW-UHFFFAOYSA-N	-1	0	285.365	2.777	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000048520091	619350779	/nfs/dbraw/zinc/35/07/79/619350779.db2.gz	TZWNITCNRKUZJI-UHFFFAOYSA-N	-1	0	298.408	2.756	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(OCC)c1	ZINC000048624922	619362218	/nfs/dbraw/zinc/36/22/18/619362218.db2.gz	ATQONZYYRJHOKH-UHFFFAOYSA-N	-1	0	285.365	2.520	20	30		CFEDRM
CC[C@H](NN=Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000793077959	619508076	/nfs/dbraw/zinc/50/80/76/619508076.db2.gz	KNIMMMVZIFVVCK-NSHDSACASA-N	-1	0	279.727	2.608	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000894971410	619519056	/nfs/dbraw/zinc/51/90/56/619519056.db2.gz	XHEYNGJMPHVJPU-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000909527887	619590198	/nfs/dbraw/zinc/59/01/98/619590198.db2.gz	JPTSHCIFOHDKCS-NHYWBVRUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000896502169	619751205	/nfs/dbraw/zinc/75/12/05/619751205.db2.gz	DERZBFSSFMUUDT-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCc1ccccn1	ZINC000909540009	619845926	/nfs/dbraw/zinc/84/59/26/619845926.db2.gz	JOWBBNUGUHIDQK-CQSZACIVSA-N	-1	0	293.367	2.601	20	30		CFEDRM
CC(=Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000079149683	619855672	/nfs/dbraw/zinc/85/56/72/619855672.db2.gz	UNFZTSZDQFPGSD-CSKARUKUSA-N	-1	0	285.340	2.924	20	30		CFEDRM
CO[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C12CCC2	ZINC000840709087	619885884	/nfs/dbraw/zinc/88/58/84/619885884.db2.gz	AWMGMAMAZKIQRM-SHLZMMBASA-N	-1	0	290.319	2.677	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000909606237	619995316	/nfs/dbraw/zinc/99/53/16/619995316.db2.gz	VRSGPUCCYUFBOT-KRWDZBQOSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1	ZINC000909627248	620004200	/nfs/dbraw/zinc/00/42/00/620004200.db2.gz	QZGDSBJEQYRDLA-UHFFFAOYSA-N	-1	0	289.331	2.826	20	30		CFEDRM
N#CC[C@H](NC(=O)c1cccc(Cl)c1[O-])C(F)(F)F	ZINC000928806054	620018132	/nfs/dbraw/zinc/01/81/32/620018132.db2.gz	GTJAEEZOXBWGAS-QMMMGPOBSA-N	-1	0	292.644	2.620	20	30		CFEDRM
C#CCONC(=O)CCCc1ccc(C2CC2)cc1	ZINC000897811392	620282766	/nfs/dbraw/zinc/28/27/66/620282766.db2.gz	AVOOUMIKWWNMTG-UHFFFAOYSA-N	-1	0	257.333	2.568	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1	ZINC000898096035	620337933	/nfs/dbraw/zinc/33/79/33/620337933.db2.gz	MDXFEWWAASJHMC-UHFFFAOYSA-N	-1	0	279.340	2.516	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCOC23CCCC3)c1	ZINC000899231443	620533723	/nfs/dbraw/zinc/53/37/23/620533723.db2.gz	DFNHJVARTXDIJN-KNGSKEOJSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-]	ZINC000899294882	620541019	/nfs/dbraw/zinc/54/10/19/620541019.db2.gz	GTAKFSVMEFNSQK-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C/c2cncc(C(=O)[O-])c2)c1C	ZINC000899350697	620550387	/nfs/dbraw/zinc/55/03/87/620550387.db2.gz	MZPBYELGJXDAKU-AATRIKPKSA-N	-1	0	299.330	2.509	20	30		CFEDRM
O=C([O-])c1cncc(C(=O)/C=C\c2cnn(C3CCC3)c2)c1	ZINC000899389233	620558068	/nfs/dbraw/zinc/55/80/68/620558068.db2.gz	DQKHNILNMAYDTL-PLNGDYQASA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cnn(C3CCC3)c2)cn1	ZINC000899401212	620560686	/nfs/dbraw/zinc/56/06/86/620560686.db2.gz	SGQGRMFDQFRVMT-FNORWQNLSA-N	-1	0	297.314	2.597	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000899762378	620597938	/nfs/dbraw/zinc/59/79/38/620597938.db2.gz	SGWBIUGZQYOYPD-ZDUSSCGKSA-N	-1	0	288.347	2.828	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2C[C@]2(C(=O)[O-])C(C)C)c1C#N	ZINC000899782645	620598676	/nfs/dbraw/zinc/59/86/76/620598676.db2.gz	ORNYTGOLEZLOEY-HZMBPMFUSA-N	-1	0	292.360	2.614	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)c(F)c1	ZINC000899786476	620599554	/nfs/dbraw/zinc/59/95/54/620599554.db2.gz	SOUSORUTDZPFSZ-NSHDSACASA-N	-1	0	292.310	2.773	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])C(C)C)c1	ZINC000899787720	620599678	/nfs/dbraw/zinc/59/96/78/620599678.db2.gz	AIRXTSWWDZXLRS-XJKSGUPXSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=C(CC)CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899788939	620599751	/nfs/dbraw/zinc/59/97/51/620599751.db2.gz	JJVGXXTVGKSBPC-CQSZACIVSA-N	-1	0	275.348	2.636	20	30		CFEDRM
C#Cc1cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1	ZINC000899796984	620600957	/nfs/dbraw/zinc/60/09/57/620600957.db2.gz	VBRYCEJBBCINMQ-CYBMUJFWSA-N	-1	0	273.332	2.743	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])c1	ZINC000899854034	620606798	/nfs/dbraw/zinc/60/67/98/620606798.db2.gz	FKJWSYNPTKHVSS-QWRGUYRKSA-N	-1	0	277.320	2.536	20	30		CFEDRM
C#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1	ZINC000899856263	620607062	/nfs/dbraw/zinc/60/70/62/620607062.db2.gz	QSNFGJHHZYHKCS-UHFFFAOYSA-N	-1	0	271.316	2.642	20	30		CFEDRM
C[C@H](NCc1csc(C#N)c1)c1nc(C(=O)[O-])cs1	ZINC000900041923	620627459	/nfs/dbraw/zinc/62/74/59/620627459.db2.gz	VIDBMIFDKBANJD-ZETCQYMHSA-N	-1	0	293.373	2.625	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000901501244	620837806	/nfs/dbraw/zinc/83/78/06/620837806.db2.gz	DXSDOISOGJRABR-UPJWGTAASA-N	-1	0	279.380	2.833	20	30		CFEDRM
CCn1nc(C)c(/C=C\C(=O)c2cncc(C(=O)[O-])c2)c1C	ZINC000901553282	620862359	/nfs/dbraw/zinc/86/23/59/620862359.db2.gz	WNFWRPSOGHUEBK-WAYWQWQTSA-N	-1	0	299.330	2.509	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1c(Cl)cccc1CC	ZINC000901586498	620862607	/nfs/dbraw/zinc/86/26/07/620862607.db2.gz	MESOXHXZNHZNEK-UHFFFAOYSA-N	-1	0	267.756	2.975	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1OCCCC	ZINC000901585723	620870089	/nfs/dbraw/zinc/87/00/89/620870089.db2.gz	CJVQEIBAQFZWLE-UHFFFAOYSA-N	-1	0	277.364	2.938	20	30		CFEDRM
Cc1noc(C(C)C)c1[N-]S(=O)(=O)CCC(C)(C)C#N	ZINC000901763045	620915672	/nfs/dbraw/zinc/91/56/72/620915672.db2.gz	SDQLRSLORMPZFX-UHFFFAOYSA-N	-1	0	299.396	2.788	20	30		CFEDRM
C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C#N)c1	ZINC000902729365	621159817	/nfs/dbraw/zinc/15/98/17/621159817.db2.gz	IIBWJUDTWZVQNE-SJKOYZFVSA-N	-1	0	298.342	2.547	20	30		CFEDRM
N#CCc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904247075	621555931	/nfs/dbraw/zinc/55/59/31/621555931.db2.gz	YTROSOMGPHJFNF-KGLIPLIRSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C[N@@H+]1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003493	621680027	/nfs/dbraw/zinc/68/00/27/621680027.db2.gz	TZQYUDWOXZBVNH-JFEKIERCSA-N	-1	0	273.163	2.822	20	30		CFEDRM
CC(C)(Cc1ccc(C#N)cc1)[N-]C(=O)C(F)(F)F	ZINC000905007945	621681349	/nfs/dbraw/zinc/68/13/49/621681349.db2.gz	DEHYPZZNFFXGDE-UHFFFAOYSA-N	-1	0	270.254	2.558	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-]	ZINC000905015436	621681795	/nfs/dbraw/zinc/68/17/95/621681795.db2.gz	KSRXERCIWYECBY-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)[O-]	ZINC000905016928	621682554	/nfs/dbraw/zinc/68/25/54/621682554.db2.gz	ZTFUSDIMWCVGMS-ZDUSSCGKSA-N	-1	0	276.336	2.926	20	30		CFEDRM
C=C(Cl)CN(C)[C@@H](C(=O)[O-])c1cccc(OC)c1	ZINC000905369996	621754918	/nfs/dbraw/zinc/75/49/18/621754918.db2.gz	FTVSNLTVGAQGSJ-GFCCVEGCSA-N	-1	0	269.728	2.505	20	30		CFEDRM
CCO[C@@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000905456509	621777080	/nfs/dbraw/zinc/77/70/80/621777080.db2.gz	IDYDCJAUIFEMFV-GFCCVEGCSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CCOCCON=C(C)c1ccc(O)cc1Cl	ZINC000905461984	621778669	/nfs/dbraw/zinc/77/86/69/621778669.db2.gz	LHSVTGQLDCBLMB-UHFFFAOYSA-N	-1	0	257.717	2.823	20	30		CFEDRM
C[C@H](NN=Cc1cc(Cl)ncc1C(=O)[O-])C(C)(C)C	ZINC000905470048	621781306	/nfs/dbraw/zinc/78/13/06/621781306.db2.gz	MGYCKLHGEDMMHP-QMMMGPOBSA-N	-1	0	283.759	2.791	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCc1ccccc1C)C(=O)[O-]	ZINC000905513654	621784188	/nfs/dbraw/zinc/78/41/88/621784188.db2.gz	PZSMCKGJWCVBQP-CQSZACIVSA-N	-1	0	290.363	2.604	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1N1CCCCC1	ZINC000905714598	621826636	/nfs/dbraw/zinc/82/66/36/621826636.db2.gz	NXVOUPFQIJTPAZ-UHFFFAOYSA-N	-1	0	288.391	2.750	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1sc2c(c1C#N)CCC2	ZINC000906072316	621924858	/nfs/dbraw/zinc/92/48/58/621924858.db2.gz	IHLBGDIYAVNWGP-UHFFFAOYSA-N	-1	0	296.417	2.816	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2scc(C)c2C#N)c(C)o1	ZINC000906074918	621929043	/nfs/dbraw/zinc/92/90/43/621929043.db2.gz	WJOWRGAUMLBNLM-UHFFFAOYSA-N	-1	0	296.373	2.939	20	30		CFEDRM
Cc1cc2c(cc1C)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)O2	ZINC000832905609	625538145	/nfs/dbraw/zinc/53/81/45/625538145.db2.gz	IRYMYYVMSDJVLH-NSIKDUERSA-N	-1	0	283.283	2.946	20	30		CFEDRM
C=CC1(CC(=O)N(C)CCCC(=O)[O-])CCCCC1	ZINC000907543889	622134618	/nfs/dbraw/zinc/13/46/18/622134618.db2.gz	OWDHIOZNFDFOEX-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000907574312	622137666	/nfs/dbraw/zinc/13/76/66/622137666.db2.gz	PCWXGQJIXYNKQA-WFASDCNBSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000907576143	622137846	/nfs/dbraw/zinc/13/78/46/622137846.db2.gz	ZTDMGNDFXWCPEM-DOMZBBRYSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000907608063	622138603	/nfs/dbraw/zinc/13/86/03/622138603.db2.gz	CXJPZLYKQVLWBT-IINYFYTJSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000907611039	622138649	/nfs/dbraw/zinc/13/86/49/622138649.db2.gz	RPLZWUGXMWHMAM-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000907579189	622139452	/nfs/dbraw/zinc/13/94/52/622139452.db2.gz	OAVBNYBANGNEDN-MLGOLLRUSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000907585628	622139933	/nfs/dbraw/zinc/13/99/33/622139933.db2.gz	HKJNYQDKZRCTAC-HIFRSBDPSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000907593529	622140914	/nfs/dbraw/zinc/14/09/14/622140914.db2.gz	QNQXYDKIPJODNL-DZGCQCFKSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCCC1	ZINC000907604119	622142225	/nfs/dbraw/zinc/14/22/25/622142225.db2.gz	OILJUEYDNCFGIN-HNNXBMFYSA-N	-1	0	283.343	2.538	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000907621387	622142618	/nfs/dbraw/zinc/14/26/18/622142618.db2.gz	AZMXIKWERUWKEM-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])CCCCC1	ZINC000907653150	622147422	/nfs/dbraw/zinc/14/74/22/622147422.db2.gz	QTUHMUFLHQLLQU-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000907658590	622147920	/nfs/dbraw/zinc/14/79/20/622147920.db2.gz	CBBSVTNHROFWPO-BXUZGUMPSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1CCC)C(=O)[O-]	ZINC000907662294	622148453	/nfs/dbraw/zinc/14/84/53/622148453.db2.gz	UWLQTBVGRXOGQR-AWEZNQCLSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000907720218	622156391	/nfs/dbraw/zinc/15/63/91/622156391.db2.gz	VWAHBKCBMGMANY-LLVKDONJSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000907729775	622157634	/nfs/dbraw/zinc/15/76/34/622157634.db2.gz	WPXHMWJENFHTPF-WFASDCNBSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21	ZINC000907736905	622158338	/nfs/dbraw/zinc/15/83/38/622158338.db2.gz	UPJJWNVUQROITR-MQYQWHSLSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907984818	622182508	/nfs/dbraw/zinc/18/25/08/622182508.db2.gz	WZMICVOQMLNPQM-MRXNPFEDSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)CC1	ZINC000908031623	622188769	/nfs/dbraw/zinc/18/87/69/622188769.db2.gz	WRFDWEANBNVUHO-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000908220073	622202760	/nfs/dbraw/zinc/20/27/60/622202760.db2.gz	GIABWXRLXZZSRI-UHFFFAOYSA-N	-1	0	276.336	2.517	20	30		CFEDRM
C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(F)(F)F	ZINC000908227094	622204059	/nfs/dbraw/zinc/20/40/59/622204059.db2.gz	VTYXTVPUADVKGD-ZETCQYMHSA-N	-1	0	292.207	2.717	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908288558	622213277	/nfs/dbraw/zinc/21/32/77/622213277.db2.gz	FCCRYIBFVAVGKK-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](C)CC(=O)[O-]	ZINC000908489776	622237646	/nfs/dbraw/zinc/23/76/46/622237646.db2.gz	RPHUESFEIHLMNS-JTQLQIEISA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1nc(CC)cs1)C(=O)[O-]	ZINC000908664650	622257192	/nfs/dbraw/zinc/25/71/92/622257192.db2.gz	DJXXUJIAZAQVNO-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C#CCC1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCCC1	ZINC000908676635	622263152	/nfs/dbraw/zinc/26/31/52/622263152.db2.gz	YWPVEAINPROFSB-UHFFFAOYSA-N	-1	0	291.391	2.674	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H](CC)C(=O)[O-])c1	ZINC000908775964	622272054	/nfs/dbraw/zinc/27/20/54/622272054.db2.gz	MGQIJWCFNXWFPS-ZDUSSCGKSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000908975009	622291865	/nfs/dbraw/zinc/29/18/65/622291865.db2.gz	NMHPBDHFCBKWMY-KRWDZBQOSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000909030426	622298355	/nfs/dbraw/zinc/29/83/55/622298355.db2.gz	JNCYXDWCGLJKCD-INIZCTEOSA-N	-1	0	290.363	2.642	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000909084529	622308049	/nfs/dbraw/zinc/30/80/49/622308049.db2.gz	UJLKXVPAVLTRRG-HNNXBMFYSA-N	-1	0	277.320	2.552	20	30		CFEDRM
C=C1CC(C)(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1	ZINC000909134695	622320475	/nfs/dbraw/zinc/32/04/75/622320475.db2.gz	WHMCYNBWGYWOGY-UHFFFAOYSA-N	-1	0	273.332	2.700	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909184958	622323472	/nfs/dbraw/zinc/32/34/72/622323472.db2.gz	JCJUSYRCEHUOOW-CQSZACIVSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909700617	622342640	/nfs/dbraw/zinc/34/26/40/622342640.db2.gz	MXEDACMQCBWXOK-GJZGRUSLSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-]	ZINC000909711811	622343734	/nfs/dbraw/zinc/34/37/34/622343734.db2.gz	GAZRGDVTPWDENW-LLVKDONJSA-N	-1	0	287.425	2.834	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(C2CCCCC2)CC1)C(=O)[O-]	ZINC000909713493	622344331	/nfs/dbraw/zinc/34/43/31/622344331.db2.gz	FNHJYRPQZHTQQY-CYBMUJFWSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)[O-]	ZINC000909713647	622344597	/nfs/dbraw/zinc/34/45/97/622344597.db2.gz	HJRAKNHYLREWFH-BPCQOVAHSA-N	-1	0	297.395	2.506	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909793468	622352887	/nfs/dbraw/zinc/35/28/87/622352887.db2.gz	BXAQOMFYDZJEMC-AWEZNQCLSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1	ZINC000909855561	622358352	/nfs/dbraw/zinc/35/83/52/622358352.db2.gz	HLOWFICIMQVXAO-GOSISDBHSA-N	-1	0	299.370	2.598	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccn([C@H](CCC)C(=O)[O-])n2)C1	ZINC000909951834	622375821	/nfs/dbraw/zinc/37/58/21/622375821.db2.gz	BVYPEVOSIMRZMU-LLVKDONJSA-N	-1	0	291.351	2.604	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000909989725	622382921	/nfs/dbraw/zinc/38/29/21/622382921.db2.gz	GWCBEAFGQZGBFG-RFQIPJPRSA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC000909995608	622384656	/nfs/dbraw/zinc/38/46/56/622384656.db2.gz	NXYCUGFBSJZDBY-XYPYZODXSA-N	-1	0	291.372	2.558	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000910040014	622395156	/nfs/dbraw/zinc/39/51/56/622395156.db2.gz	LYQQXPWPJVUESK-INIZCTEOSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1coc2ccc(C(C)C)cc12)C(=O)[O-]	ZINC000910048102	622396589	/nfs/dbraw/zinc/39/65/89/622396589.db2.gz	DQFUGXPDQSPFFZ-CQSZACIVSA-N	-1	0	299.326	2.763	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H](CC)CCCCCC)C(=O)[O-]	ZINC000910045766	622396626	/nfs/dbraw/zinc/39/66/26/622396626.db2.gz	GTGVCHKQFYYDLE-CHWSQXEVSA-N	-1	0	267.369	2.576	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N1CCC[C@@]1(CCC)C(=O)[O-])OCC	ZINC000910112899	622406496	/nfs/dbraw/zinc/40/64/96/622406496.db2.gz	BRRWQOOTISMUFH-CJNGLKHVSA-N	-1	0	297.395	2.604	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153807	622407236	/nfs/dbraw/zinc/40/72/36/622407236.db2.gz	VQWMEEDPTJOGJH-ISVAXAHUSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153806	622407370	/nfs/dbraw/zinc/40/73/70/622407370.db2.gz	VQWMEEDPTJOGJH-AMIZOPFISA-N	-1	0	282.365	2.621	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-]	ZINC000910199083	622409221	/nfs/dbraw/zinc/40/92/21/622409221.db2.gz	ZMMVILINMLLFRJ-UHFFFAOYSA-N	-1	0	284.315	2.998	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910232713	622414412	/nfs/dbraw/zinc/41/44/12/622414412.db2.gz	FRKGUBYZZVBPMM-CJNGLKHVSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910233580	622414452	/nfs/dbraw/zinc/41/44/52/622414452.db2.gz	KHFFQPHELAHFDY-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910233582	622414718	/nfs/dbraw/zinc/41/47/18/622414718.db2.gz	KHFFQPHELAHFDY-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C(=O)[O-]	ZINC000910268493	622421351	/nfs/dbraw/zinc/42/13/51/622421351.db2.gz	YRHBTDLMABBEHW-UWVGGRQHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C/C(=C\C)CC)C(=O)[O-]	ZINC000910267015	622421531	/nfs/dbraw/zinc/42/15/31/622421531.db2.gz	QCVOFTQXTGBJCQ-OWEICWEYSA-N	-1	0	271.744	2.611	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000910271647	622422745	/nfs/dbraw/zinc/42/27/45/622422745.db2.gz	RDYZREFOHJMVRV-ILDUYXDCSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1coc2ccccc12)C(=O)[O-]	ZINC000910291874	622429955	/nfs/dbraw/zinc/42/99/55/622429955.db2.gz	LKUNRVBVXFHGTD-CYBMUJFWSA-N	-1	0	287.315	2.511	20	30		CFEDRM
N#Cc1nc(NC[C@@H](CC2CC2)C(=O)[O-])ccc1Cl	ZINC000910418592	622441988	/nfs/dbraw/zinc/44/19/88/622441988.db2.gz	FYGJZVZNSGKEHL-SECBINFHSA-N	-1	0	279.727	2.519	20	30		CFEDRM
CCCCC[C@@H](Nc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000910433774	622444218	/nfs/dbraw/zinc/44/42/18/622444218.db2.gz	IKIWMKZTWASUFW-GFCCVEGCSA-N	-1	0	261.325	2.707	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910909679	622485315	/nfs/dbraw/zinc/48/53/15/622485315.db2.gz	ADHWVRNDJXUXAW-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000910914885	622486128	/nfs/dbraw/zinc/48/61/28/622486128.db2.gz	PAHYNAMFYLREEC-GFCCVEGCSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000910914316	622486255	/nfs/dbraw/zinc/48/62/55/622486255.db2.gz	IZIGANTZTFVBGY-ZYHUDNBSSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cnc(CCC)s1)C(=O)[O-]	ZINC000910914691	622486314	/nfs/dbraw/zinc/48/63/14/622486314.db2.gz	MWXLMIHSDKGLMD-JTQLQIEISA-N	-1	0	296.392	2.635	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc(OCC)c1)C(=O)[O-]	ZINC000910914468	622486327	/nfs/dbraw/zinc/48/63/27/622486327.db2.gz	KZGYTOHUPLHOCR-AWEZNQCLSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000910913910	622486355	/nfs/dbraw/zinc/48/63/55/622486355.db2.gz	FYERTQJBZNKZNZ-CABCVRRESA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910914013	622486391	/nfs/dbraw/zinc/48/63/91/622486391.db2.gz	BKHIUAAYHJFCCO-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)sc1C)C(=O)[O-]	ZINC000910919257	622487158	/nfs/dbraw/zinc/48/71/58/622487158.db2.gz	VQAAOOMAIRNMAI-GFCCVEGCSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000910918911	622487260	/nfs/dbraw/zinc/48/72/60/622487260.db2.gz	QDNAZIFKBQYOCT-ZDUSSCGKSA-N	-1	0	295.404	2.997	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C\c1cccs1)C(=O)[O-]	ZINC000910918443	622487322	/nfs/dbraw/zinc/48/73/22/622487322.db2.gz	LHVXDOJTYAPCME-LAUAKBEESA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](OCC)C1CCCC1)C(=O)[O-]	ZINC000910923285	622487581	/nfs/dbraw/zinc/48/75/81/622487581.db2.gz	RRMPJBUFSYKHAT-KBPBESRZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1c(C)cc(F)cc1C)C(=O)[O-]	ZINC000910921810	622487762	/nfs/dbraw/zinc/48/77/62/622487762.db2.gz	GIMXTZLXVKIOPP-ZDUSSCGKSA-N	-1	0	293.338	2.982	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(COC)CCCCC1)C(=O)[O-]	ZINC000910922825	622487780	/nfs/dbraw/zinc/48/77/80/622487780.db2.gz	MXPAKDVZAXHADE-CYBMUJFWSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1nc(C(C)C)oc1C)C(=O)[O-]	ZINC000910925183	622488384	/nfs/dbraw/zinc/48/83/84/622488384.db2.gz	JDBPXCKTIUPTNR-LLVKDONJSA-N	-1	0	294.351	2.646	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000911465402	622521953	/nfs/dbraw/zinc/52/19/53/622521953.db2.gz	XUEZPYCECYTLPO-CQSZACIVSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911681117	622534351	/nfs/dbraw/zinc/53/43/51/622534351.db2.gz	JLWCVEQPCJFQBT-UHFFFAOYSA-N	-1	0	295.310	2.754	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000819801101	622559336	/nfs/dbraw/zinc/55/93/36/622559336.db2.gz	MVCNULPMCXLPSK-NSHDSACASA-N	-1	0	250.323	2.678	20	30		CFEDRM
CC#CCN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000820820067	622765846	/nfs/dbraw/zinc/76/58/46/622765846.db2.gz	QBSAWWFDAKXNSU-UHFFFAOYSA-N	-1	0	272.131	2.794	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2nccc(Br)c2[O-])C1	ZINC000913025640	622823178	/nfs/dbraw/zinc/82/31/78/622823178.db2.gz	VXNHTJNBWBFWIV-UHFFFAOYSA-N	-1	0	297.152	2.845	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000164082248	622935378	/nfs/dbraw/zinc/93/53/78/622935378.db2.gz	NBKTXPGCVMMTTI-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1C	ZINC000046929783	623104985	/nfs/dbraw/zinc/10/49/85/623104985.db2.gz	ZDADFQZQCDSGQD-ZYHUDNBSSA-N	-1	0	267.350	2.605	20	30		CFEDRM
N#CC1(CCOC(=O)c2cccc3n[nH]nc32)CCCCC1	ZINC000840475344	623211015	/nfs/dbraw/zinc/21/10/15/623211015.db2.gz	YAOHRSWADYIJPK-UHFFFAOYSA-N	-1	0	298.346	2.979	20	30		CFEDRM
Cc1ncccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000171418510	623222628	/nfs/dbraw/zinc/22/26/28/623222628.db2.gz	XUICBJSKZXKHNW-BQYQJAHWSA-N	-1	0	297.310	2.750	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(F)cc(Cl)c1	ZINC000230037166	623241461	/nfs/dbraw/zinc/24/14/61/623241461.db2.gz	OVLIDOPZNMZVRS-UHFFFAOYSA-N	-1	0	286.690	2.584	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000823369056	623300077	/nfs/dbraw/zinc/30/00/77/623300077.db2.gz	QTSLOXDYDFJFLU-USKTWTLRSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2nc(C)cc(C)c2C#N)C1	ZINC000062875014	623301820	/nfs/dbraw/zinc/30/18/20/623301820.db2.gz	UDTTXAPLOAUKJK-INIZCTEOSA-N	-1	0	287.363	2.651	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1nc2ccccc2o1	ZINC000174014690	623380577	/nfs/dbraw/zinc/38/05/77/623380577.db2.gz	HRJXCGQIGVYXQT-NSHDSACASA-N	-1	0	268.272	2.698	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(F)cc1	ZINC000824033556	623437304	/nfs/dbraw/zinc/43/73/04/623437304.db2.gz	OMVVDVASUWIDPT-ZJUUUORDSA-N	-1	0	269.341	2.929	20	30		CFEDRM
CCOCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814907524	623495513	/nfs/dbraw/zinc/49/55/13/623495513.db2.gz	NESHIWFZTZNDCL-WDEREUQCSA-N	-1	0	271.357	2.552	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000825272359	623662541	/nfs/dbraw/zinc/66/25/41/623662541.db2.gz	KBNBBSLBIXDVRB-GHMZBOCLSA-N	-1	0	291.326	2.570	20	30		CFEDRM
CC(C)C[C@@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000825416968	623689060	/nfs/dbraw/zinc/68/90/60/623689060.db2.gz	HUQJRZNOLAJXQN-JTQLQIEISA-N	-1	0	289.360	2.785	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1ccc(OC)cc1[O-]	ZINC000152668170	623750663	/nfs/dbraw/zinc/75/06/63/623750663.db2.gz	WUXITDJPMLANTM-QPJJXVBHSA-N	-1	0	272.304	2.513	20	30		CFEDRM
N#CCC1CN(Cc2cccc(Br)c2[O-])C1	ZINC000826990863	623920045	/nfs/dbraw/zinc/92/00/45/623920045.db2.gz	OWZKYKUWARPSOP-UHFFFAOYSA-N	-1	0	281.153	2.500	20	30		CFEDRM
CC(=NN[C@H](C)C(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000835002127	623926280	/nfs/dbraw/zinc/92/62/80/623926280.db2.gz	RGXANRDASIOESD-SSDOTTSWSA-N	-1	0	291.229	2.565	20	30		CFEDRM
Cc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000915114046	623984936	/nfs/dbraw/zinc/98/49/36/623984936.db2.gz	ALRCPSXADNIASB-OQLLNIDSSA-N	-1	0	274.276	2.863	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000827648810	624051869	/nfs/dbraw/zinc/05/18/69/624051869.db2.gz	DPUQXADSDHGWNQ-CYBMUJFWSA-N	-1	0	295.726	2.689	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1	ZINC000915855354	624133575	/nfs/dbraw/zinc/13/35/75/624133575.db2.gz	RXTNLFARJIEXMI-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
N#CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000915933668	624193791	/nfs/dbraw/zinc/19/37/91/624193791.db2.gz	NHNGSJKMOHRJBP-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
Cc1nnc(N=NC2C[C@@H](C)CC[C@H]2C(C)C)[n-]c1=O	ZINC000916282433	624235925	/nfs/dbraw/zinc/23/59/25/624235925.db2.gz	FURSZXIWRKVFDB-ONGXEEELSA-N	-1	0	277.372	2.746	20	30		CFEDRM
Cc1nnc(N=NC2C[C@H](C)CC[C@H]2C(C)C)[n-]c1=O	ZINC000916282432	624236023	/nfs/dbraw/zinc/23/60/23/624236023.db2.gz	FURSZXIWRKVFDB-KOLCDFICSA-N	-1	0	277.372	2.746	20	30		CFEDRM
Cc1ccsc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000916305362	624238250	/nfs/dbraw/zinc/23/82/50/624238250.db2.gz	PSEPXDUVNFLXJD-UHFFFAOYSA-N	-1	0	292.311	2.838	20	30		CFEDRM
CCc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1	ZINC000917554792	624359588	/nfs/dbraw/zinc/35/95/88/624359588.db2.gz	SGZUKEAGMNPRBL-UHFFFAOYSA-N	-1	0	280.335	2.751	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCCC1	ZINC000920024800	624661155	/nfs/dbraw/zinc/66/11/55/624661155.db2.gz	NVLMSLHXZSOTOU-UHFFFAOYSA-N	-1	0	290.294	2.936	20	30		CFEDRM
CCCCCCCCCCCC(=O)[N-]S(C)(=O)=O	ZINC000920099782	624678552	/nfs/dbraw/zinc/67/85/52/624678552.db2.gz	LMOQVPJEVLWLBI-UHFFFAOYSA-N	-1	0	277.430	2.983	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830323083	624707685	/nfs/dbraw/zinc/70/76/85/624707685.db2.gz	CVVFMPXUQCYMAG-UHFFFAOYSA-N	-1	0	295.310	2.655	20	30		CFEDRM
C[C@H](NN=Cc1ccccc1OCC(=O)[O-])c1ccccc1	ZINC000920386272	624716913	/nfs/dbraw/zinc/71/69/13/624716913.db2.gz	VSQCIWJJKLGGFN-ZDUSSCGKSA-N	-1	0	298.342	2.835	20	30		CFEDRM
C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccccc1F	ZINC000830811194	624882548	/nfs/dbraw/zinc/88/25/48/624882548.db2.gz	RRUIZELQFMXKNO-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
CN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccccc1F	ZINC000830844517	624899822	/nfs/dbraw/zinc/89/98/22/624899822.db2.gz	BAZRKXXXHSBCAF-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
Cc1nn(C)cc1C(=O)/C=C/c1cc(F)c([O-])c(F)c1	ZINC000175324789	624947791	/nfs/dbraw/zinc/94/77/91/624947791.db2.gz	ZBBZMKDXHAQMOF-ONEGZZNKSA-N	-1	0	278.258	2.608	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1	ZINC000831042938	624955119	/nfs/dbraw/zinc/95/51/19/624955119.db2.gz	XYADQYRIJHDQQF-KBPBESRZSA-N	-1	0	296.411	2.875	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C(C2CC2)C2CC2)c1	ZINC000179731587	624975225	/nfs/dbraw/zinc/97/52/25/624975225.db2.gz	DWWZCZUTFBEEAP-UHFFFAOYSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000179741327	624976019	/nfs/dbraw/zinc/97/60/19/624976019.db2.gz	BYADOOSWIGUTOC-AATRIKPKSA-N	-1	0	274.295	2.723	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000851599180	634451011	/nfs/dbraw/zinc/45/10/11/634451011.db2.gz	LLTXUVDUCQRORR-KBPBESRZSA-N	-1	0	299.411	2.685	20	30		CFEDRM
CCOc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)ccc1C	ZINC000073289711	625820733	/nfs/dbraw/zinc/82/07/33/625820733.db2.gz	NAPVOODSHSGBNR-UHFFFAOYSA-N	-1	0	299.392	2.684	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966348	625936150	/nfs/dbraw/zinc/93/61/50/625936150.db2.gz	GMBBUOZBUUMWKL-NSHDSACASA-N	-1	0	280.324	2.606	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@@H](C)c2ccsc21)C(=O)[O-]	ZINC000834981476	625944289	/nfs/dbraw/zinc/94/42/89/625944289.db2.gz	QHIGUVWNHIFOBB-PSASIEDQSA-N	-1	0	266.366	2.802	20	30		CFEDRM
CC(C)ON=Cc1ccc(OC(F)(F)C(=O)[O-])cc1	ZINC000835000335	625949693	/nfs/dbraw/zinc/94/96/93/625949693.db2.gz	MCHCJCRPOMDAGL-UHFFFAOYSA-N	-1	0	273.235	2.502	20	30		CFEDRM
CC(C)ON=Cc1cccc(Br)c1[O-]	ZINC000835004116	625952661	/nfs/dbraw/zinc/95/26/61/625952661.db2.gz	HJUFBHWQZXUZEQ-UHFFFAOYSA-N	-1	0	258.115	2.914	20	30		CFEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])nc2)C[C@@H]1OC	ZINC000835006166	625954195	/nfs/dbraw/zinc/95/41/95/625954195.db2.gz	AFJCVGBUQUWPMJ-ZDUSSCGKSA-N	-1	0	291.351	2.773	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC3(CCCO3)CC2)cn1	ZINC000835006524	625954542	/nfs/dbraw/zinc/95/45/42/625954542.db2.gz	GHHMUVNGUYMINT-UHFFFAOYSA-N	-1	0	289.335	2.671	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@H]1C	ZINC000835009372	625956034	/nfs/dbraw/zinc/95/60/34/625956034.db2.gz	UWRIGBDMUOAFDK-SFYZADRCSA-N	-1	0	250.273	2.968	20	30		CFEDRM
COCCCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010294	625957104	/nfs/dbraw/zinc/95/71/04/625957104.db2.gz	WMQPBRSCHUWQKM-UHFFFAOYSA-N	-1	0	268.288	2.738	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCCOC1	ZINC000835011093	625958183	/nfs/dbraw/zinc/95/81/83/625958183.db2.gz	BDNWSAPYFLPMIU-LLVKDONJSA-N	-1	0	280.299	2.738	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@H]2CCOC2)c(F)c1	ZINC000835012896	625958649	/nfs/dbraw/zinc/95/86/49/625958649.db2.gz	ZEFNEOBUEXTNOA-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@]1(C)CCCO1	ZINC000835012274	625958886	/nfs/dbraw/zinc/95/88/86/625958886.db2.gz	OIMDPXDRSINDJD-CQSZACIVSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCOC1	ZINC000835012014	625958934	/nfs/dbraw/zinc/95/89/34/625958934.db2.gz	MJCLHRVOCAGCOU-JTQLQIEISA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC1(C)OCC[C@@H]1NN=Cc1cccc(Cl)c1[O-]	ZINC000835017231	625962999	/nfs/dbraw/zinc/96/29/99/625962999.db2.gz	LJXVPXGJMKZDJT-NSHDSACASA-N	-1	0	268.744	2.537	20	30		CFEDRM
N#C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C1CCCC1	ZINC000921538147	625980715	/nfs/dbraw/zinc/98/07/15/625980715.db2.gz	AEOYRCSAGSLRCX-GFCCVEGCSA-N	-1	0	278.739	2.858	20	30		CFEDRM
N#CC[C@@H](NCc1cc(F)cc(F)c1[O-])C(F)(F)F	ZINC000922650404	626333619	/nfs/dbraw/zinc/33/36/19/626333619.db2.gz	PIWJGGULRWEISX-SECBINFHSA-N	-1	0	280.196	2.605	20	30		CFEDRM
CCOc1cccc(C(=O)[N-]S(=O)(=O)C(CC)CC)c1	ZINC000073838373	626396137	/nfs/dbraw/zinc/39/61/37/626396137.db2.gz	YNLBSKYITFQWLB-UHFFFAOYSA-N	-1	0	299.392	2.908	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CC2(CC2)C1	ZINC000923056331	626447696	/nfs/dbraw/zinc/44/76/96/626447696.db2.gz	BCAMFTCTMDXASE-UTCJRWHESA-N	-1	0	296.326	2.807	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000923076595	626449284	/nfs/dbraw/zinc/44/92/84/626449284.db2.gz	SNHLOWDSTRTVDC-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000923105941	626451560	/nfs/dbraw/zinc/45/15/60/626451560.db2.gz	HXYDFGOFCPTFPA-AWEZNQCLSA-N	-1	0	260.293	2.572	20	30		CFEDRM
C[C@@H]1C(=NNCCC(C)(C)C)CC[C@@H]1CC(=O)[O-]	ZINC000814901358	626480710	/nfs/dbraw/zinc/48/07/10/626480710.db2.gz	KHHDSRAPEXCNKN-WDEREUQCSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C/C=C(/CC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000789226713	626539308	/nfs/dbraw/zinc/53/93/08/626539308.db2.gz	ICCPQQHORDCGFT-NEOSZVFXSA-N	-1	0	292.360	2.527	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NOCc1ccc(F)cc1	ZINC000758145314	626579276	/nfs/dbraw/zinc/57/92/76/626579276.db2.gz	WMBLFFPENMFKHA-UHFFFAOYSA-N	-1	0	290.250	2.990	20	30		CFEDRM
C#CCNC(=S)[N-]c1ccccc1SCCC#N	ZINC000758233297	626584246	/nfs/dbraw/zinc/58/42/46/626584246.db2.gz	FECJOPPEBSRSMQ-UHFFFAOYSA-N	-1	0	275.402	2.612	20	30		CFEDRM
CCC(=NOCC(F)F)c1cc(C(=O)[O-])ccc1F	ZINC000758912718	626617726	/nfs/dbraw/zinc/61/77/26/626617726.db2.gz	XKGQNURCMHQZTR-UHFFFAOYSA-N	-1	0	275.226	2.920	20	30		CFEDRM
C[C@H](C[C@H]1CCOC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759641121	626679197	/nfs/dbraw/zinc/67/91/97/626679197.db2.gz	BUHCDUMAVCDOJU-UFCGYKGRSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1	ZINC000760228410	626721846	/nfs/dbraw/zinc/72/18/46/626721846.db2.gz	HDYDEVVQKVHZGJ-KOLYXTFFSA-N	-1	0	259.265	2.809	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](CC)CCCC	ZINC000762069313	626886825	/nfs/dbraw/zinc/88/68/25/626886825.db2.gz	RISIGCFDGHMQTH-LBPRGKRZSA-N	-1	0	255.358	2.692	20	30		CFEDRM
CO[C@@H](C)C(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000763104205	626963004	/nfs/dbraw/zinc/96/30/04/626963004.db2.gz	BAZWJOQWNMNQEJ-QMMMGPOBSA-N	-1	0	270.716	2.861	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCC(F)(F)C2)c1	ZINC000763095426	626963380	/nfs/dbraw/zinc/96/33/80/626963380.db2.gz	DOBYDAPMXMLNNR-KIKKFWRUSA-N	-1	0	270.235	2.907	20	30		CFEDRM
CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)n1	ZINC000763101920	626964019	/nfs/dbraw/zinc/96/40/19/626964019.db2.gz	SGECWAUUUSYSSK-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC(Cc1cccs1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369616	626983560	/nfs/dbraw/zinc/98/35/60/626983560.db2.gz	VRGBEJPMGMHSKD-UHFFFAOYSA-N	-1	0	275.333	2.872	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2cccc(C(=O)[O-])c2)c1	ZINC000764696699	627084983	/nfs/dbraw/zinc/08/49/83/627084983.db2.gz	RHTWQIOUFYHJJF-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NOCc3ccccc3)[nH]nc2c1	ZINC000765573344	627147573	/nfs/dbraw/zinc/14/75/73/627147573.db2.gz	UCYAKSDTVVSGQU-UHFFFAOYSA-N	-1	0	295.298	2.812	20	30		CFEDRM
COc1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)ccc1O	ZINC000765825108	627159877	/nfs/dbraw/zinc/15/98/77/627159877.db2.gz	NPLIZJOCKKLMJO-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
Cn1nncc1/C=C/C(=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766033922	627172852	/nfs/dbraw/zinc/17/28/52/627172852.db2.gz	LGWAXZIUEADSAJ-NSCUHMNNSA-N	-1	0	298.129	2.724	20	30		CFEDRM
Cc1nnc(NN=C2C[C@H](C(C)C)c3ccccc32)[n-]c1=O	ZINC000766431669	627202917	/nfs/dbraw/zinc/20/29/17/627202917.db2.gz	JCIJFAXYODKANM-CYBMUJFWSA-N	-1	0	297.362	2.845	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000766433127	627203036	/nfs/dbraw/zinc/20/30/36/627203036.db2.gz	ZGKJFZOQQGNYCV-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CCCCCCCC(=O)N(CCC(=O)[O-])C1CCOCC1	ZINC000767039264	627232339	/nfs/dbraw/zinc/23/23/39/627232339.db2.gz	OIZYMVVKHASIEN-UHFFFAOYSA-N	-1	0	299.411	2.829	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1cncc(C)c1	ZINC000767388407	627247495	/nfs/dbraw/zinc/24/74/95/627247495.db2.gz	SRWMLHCPAOHJBP-UHFFFAOYSA-N	-1	0	299.330	2.933	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2cncs2)cc1	ZINC000767721246	627280185	/nfs/dbraw/zinc/28/01/85/627280185.db2.gz	LJNTUADPIOZBSX-AATRIKPKSA-N	-1	0	273.313	2.666	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000767992832	627301561	/nfs/dbraw/zinc/30/15/61/627301561.db2.gz	FEODZCUJBLSZTA-NSHDSACASA-N	-1	0	299.367	2.541	20	30		CFEDRM
CC(=NNCC[NH+]1CCCCC1)c1ccc(O)c(Cl)c1	ZINC000768772901	627371002	/nfs/dbraw/zinc/37/10/02/627371002.db2.gz	LADJHHWNHHEWJY-UHFFFAOYSA-N	-1	0	295.814	2.845	20	30		CFEDRM
CC(N=Nc1ncccc1Cl)c1ccc(C(=O)[O-])o1	ZINC000773056468	627775745	/nfs/dbraw/zinc/77/57/45/627775745.db2.gz	XDTGUOWTNYHKLB-UHFFFAOYSA-N	-1	0	279.683	2.862	20	30		CFEDRM
CS[C@H](C)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000773523127	627833057	/nfs/dbraw/zinc/83/30/57/627833057.db2.gz	LVFQHXPTXPDJFG-SECBINFHSA-N	-1	0	264.350	2.734	20	30		CFEDRM
CCCCCCCCNC(=O)C(=O)[N-]OC1CCCCC1	ZINC000774774014	627961499	/nfs/dbraw/zinc/96/14/99/627961499.db2.gz	WLYLMXYGXFDLHM-UHFFFAOYSA-N	-1	0	298.427	2.844	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775662335	628051171	/nfs/dbraw/zinc/05/11/71/628051171.db2.gz	VSZUWIGEAXQSJH-VIFPVBQESA-N	-1	0	266.728	2.667	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)c1cccc(Cl)c1[O-])C1CC1	ZINC000775784687	628067248	/nfs/dbraw/zinc/06/72/48/628067248.db2.gz	GHVCIOKRAVZHJY-VIFPVBQESA-N	-1	0	278.739	2.810	20	30		CFEDRM
O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccncc2)c1	ZINC000776188682	628114598	/nfs/dbraw/zinc/11/45/98/628114598.db2.gz	ZLTWLEQAUSYANZ-PLNGDYQASA-N	-1	0	297.310	2.831	20	30		CFEDRM
COc1cc(C)nc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000776761394	628175563	/nfs/dbraw/zinc/17/55/63/628175563.db2.gz	ARFIPEWXMBWPBH-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
CC(=NNC1CCCC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776768010	628176920	/nfs/dbraw/zinc/17/69/20/628176920.db2.gz	HDMZGMMDAQSXGD-UHFFFAOYSA-N	-1	0	264.300	2.780	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776777045	628177435	/nfs/dbraw/zinc/17/74/35/628177435.db2.gz	UMNJYVHGQPKOSY-CYBMUJFWSA-N	-1	0	281.283	2.791	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NOC3CCCCC3)[nH]nc2c1	ZINC000777458975	628227997	/nfs/dbraw/zinc/22/79/97/628227997.db2.gz	MTBCZLFDCVWIFP-UHFFFAOYSA-N	-1	0	287.319	2.944	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCCC(F)(F)F	ZINC000779326856	628374692	/nfs/dbraw/zinc/37/46/92/628374692.db2.gz	YIUAMTZHADEVNW-JTQLQIEISA-N	-1	0	298.305	2.958	20	30		CFEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOC1	ZINC000779708720	628394690	/nfs/dbraw/zinc/39/46/90/628394690.db2.gz	YJHGEKODJMVSTN-GNFPRLHCSA-N	-1	0	278.308	2.534	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCSC1	ZINC000782177993	628609481	/nfs/dbraw/zinc/60/94/81/628609481.db2.gz	YFLNNWUCLBTORW-SECBINFHSA-N	-1	0	250.323	2.536	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3c2OCO3)c1	ZINC000782175026	628609613	/nfs/dbraw/zinc/60/96/13/628609613.db2.gz	JXIGCYCRKGOWLZ-UHFFFAOYSA-N	-1	0	286.243	2.780	20	30		CFEDRM
COc1ccc(NN=Cc2ccc(C(=O)[O-])[nH]2)cc1Cl	ZINC000782232620	628617835	/nfs/dbraw/zinc/61/78/35/628617835.db2.gz	VMQXFIAAMKFEGR-UHFFFAOYSA-N	-1	0	293.710	2.821	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)Cc2ccccc2)n1	ZINC000783769966	628744228	/nfs/dbraw/zinc/74/42/28/628744228.db2.gz	BZDKIUGZVJMPQV-NSHDSACASA-N	-1	0	270.336	2.767	20	30		CFEDRM
CCCCNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000783826228	628748207	/nfs/dbraw/zinc/74/82/07/628748207.db2.gz	BVPHWFMUKPNASK-UHFFFAOYSA-N	-1	0	254.717	2.762	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@@H]2CCOC2)cc1	ZINC000786038333	628932346	/nfs/dbraw/zinc/93/23/46/628932346.db2.gz	UAPJBESFFUXPSD-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1C	ZINC000788436685	629066601	/nfs/dbraw/zinc/06/66/01/629066601.db2.gz	DXGXWKCIARGSOG-AWEZNQCLSA-N	-1	0	277.320	2.960	20	30		CFEDRM
O=C([O-])[C@H]1CCC(N=Nc2ccccn2)c2ccccc21	ZINC000788962298	629111302	/nfs/dbraw/zinc/11/13/02/629111302.db2.gz	CQZMWMBEORSDIV-ZDUSSCGKSA-N	-1	0	281.315	2.860	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NO[C@@H]2CCCCO2)c2ccccc21	ZINC000789035143	629119211	/nfs/dbraw/zinc/11/92/11/629119211.db2.gz	XVCNSYGYSQJRHF-UKRRQHHQSA-N	-1	0	289.331	2.896	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NO[C@@H]2CCCCO2)c2ccccc21	ZINC000789035136	629119607	/nfs/dbraw/zinc/11/96/07/629119607.db2.gz	XVCNSYGYSQJRHF-DZGCQCFKSA-N	-1	0	289.331	2.896	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccsc2Cl)C(=O)O1	ZINC000790207779	629220349	/nfs/dbraw/zinc/22/03/49/629220349.db2.gz	DCDXNYXOHQQFJF-OTDNITJGSA-N	-1	0	296.731	2.630	20	30		CFEDRM
O=C(/C=C\c1cocn1)c1cc(F)cc(F)c1[O-]	ZINC000790221592	629220579	/nfs/dbraw/zinc/22/05/79/629220579.db2.gz	DCJPZGVTADKEQS-UPHRSURJSA-N	-1	0	251.188	2.555	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(C)on1	ZINC000790289021	629225917	/nfs/dbraw/zinc/22/59/17/629225917.db2.gz	ZRNOZGQHJGPOQS-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
C=CCCCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000791146876	629290093	/nfs/dbraw/zinc/29/00/93/629290093.db2.gz	RVXHQCPVZSPLCW-UHFFFAOYSA-N	-1	0	262.334	2.813	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cs1	ZINC000835055864	629359092	/nfs/dbraw/zinc/35/90/92/629359092.db2.gz	ATJCXNJDURIETF-NSHDSACASA-N	-1	0	278.377	2.685	20	30		CFEDRM
CCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000835064740	629367184	/nfs/dbraw/zinc/36/71/84/629367184.db2.gz	HSJDSERXEMEHBV-CYBMUJFWSA-N	-1	0	296.326	2.596	20	30		CFEDRM
C[C@H](C#N)CN(C)Cc1c([O-])ccc(Cl)c1F	ZINC000792167302	629404093	/nfs/dbraw/zinc/40/40/93/629404093.db2.gz	LARKCQZTMOOVID-MRVPVSSYSA-N	-1	0	256.708	2.776	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000792515829	629429700	/nfs/dbraw/zinc/42/97/00/629429700.db2.gz	CHIQNVFRZSLKGE-VIFPVBQESA-N	-1	0	269.703	2.716	20	30		CFEDRM
CC[C@H](NN=Cc1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-]	ZINC000793054218	629480662	/nfs/dbraw/zinc/48/06/62/629480662.db2.gz	DBPWXAXIHSZPLV-LBPRGKRZSA-N	-1	0	293.754	2.916	20	30		CFEDRM
CCSc1ccc(C(C)=NN[C@@H](CC)C(=O)[O-])cc1	ZINC000793055668	629480968	/nfs/dbraw/zinc/48/09/68/629480968.db2.gz	NXNHVHCSRBCDGI-ZDUSSCGKSA-N	-1	0	280.393	2.975	20	30		CFEDRM
CC[C@H](NN=C(CC(F)(F)F)c1ccccc1)C(=O)[O-]	ZINC000793058607	629481516	/nfs/dbraw/zinc/48/15/16/629481516.db2.gz	WLVAPLZTZOMJCT-JTQLQIEISA-N	-1	0	288.269	2.796	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H](c2ccccc2)[C@H]1C)C(=O)[O-]	ZINC000793070480	629482008	/nfs/dbraw/zinc/48/20/08/629482008.db2.gz	BKQNRKHWSKCFNF-RTXFEEFZSA-N	-1	0	260.337	2.619	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(F)(F)F)s1)C(=O)[O-]	ZINC000793072562	629482846	/nfs/dbraw/zinc/48/28/46/629482846.db2.gz	NUVDFBUGEOQVQD-ZETCQYMHSA-N	-1	0	280.271	2.554	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(CC)cc1	ZINC000793070723	629482937	/nfs/dbraw/zinc/48/29/37/629482937.db2.gz	CXWXZUZDLFRSMZ-CQSZACIVSA-N	-1	0	262.353	2.816	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000793071784	629483054	/nfs/dbraw/zinc/48/30/54/629483054.db2.gz	GTJDCNROMACWPS-HNNXBMFYSA-N	-1	0	274.364	2.742	20	30		CFEDRM
CCOc1ccc(Cl)cc1C(C)=NN[C@H](CC)C(=O)[O-]	ZINC000793074035	629483643	/nfs/dbraw/zinc/48/36/43/629483643.db2.gz	ZUYFWIXOPOLKNW-GFCCVEGCSA-N	-1	0	298.770	2.916	20	30		CFEDRM
CC[C@H](NN=C1CC(c2cccc(F)c2)C1)C(=O)[O-]	ZINC000793073894	629483668	/nfs/dbraw/zinc/48/36/68/629483668.db2.gz	XNKSGQVEVAWUPY-HQVZTVAUSA-N	-1	0	264.300	2.512	20	30		CFEDRM
CCC(=NNC(CC)c1cccc(Cl)c1)C(=O)[O-]	ZINC000793081009	629484964	/nfs/dbraw/zinc/48/49/64/629484964.db2.gz	GTCMWKJXZCOGOQ-GFCCVEGCSA-N	-1	0	268.744	2.907	20	30		CFEDRM
CC[C@H](NN=Cc1cc2cc(C)c(C)cc2o1)C(=O)[O-]	ZINC000793081960	629485153	/nfs/dbraw/zinc/48/51/53/629485153.db2.gz	QKWAUGBOTDGEAL-ZDUSSCGKSA-N	-1	0	274.320	2.836	20	30		CFEDRM
CC[C@H](NN=C1CCOc2c(C)cc(Cl)cc21)C(=O)[O-]	ZINC000793080507	629485238	/nfs/dbraw/zinc/48/52/38/629485238.db2.gz	BAFCKBKJNPQGKQ-NSHDSACASA-N	-1	0	296.754	2.588	20	30		CFEDRM
C[C@H](NN=Cc1cccc(OCCC(=O)[O-])c1)C(C)(C)C	ZINC000793116309	629489453	/nfs/dbraw/zinc/48/94/53/629489453.db2.gz	RVCAPTWDORDPMQ-LBPRGKRZSA-N	-1	0	292.379	2.898	20	30		CFEDRM
Cc1ccoc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000793652732	629582975	/nfs/dbraw/zinc/58/29/75/629582975.db2.gz	CJHJGQRFVIZJRZ-VGOFMYFVSA-N	-1	0	260.249	2.821	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2c(F)ccc(O)c2F)cc1	ZINC000794448519	629648051	/nfs/dbraw/zinc/64/80/51/629648051.db2.gz	OMODYRROCSEDTK-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
Cc1cnn(C)c1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000794698672	629676837	/nfs/dbraw/zinc/67/68/37/629676837.db2.gz	AYBFALGPXCGVQU-ARJAWSKDSA-N	-1	0	278.258	2.608	20	30		CFEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000794941761	629707434	/nfs/dbraw/zinc/70/74/34/629707434.db2.gz	XJARONLFWNNEPW-UTCJRWHESA-N	-1	0	272.304	2.771	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cnccn1	ZINC000794942943	629708302	/nfs/dbraw/zinc/70/83/02/629708302.db2.gz	SYJQINKGYAKTKZ-ARJAWSKDSA-N	-1	0	282.299	2.688	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2	ZINC000835563379	629842440	/nfs/dbraw/zinc/84/24/40/629842440.db2.gz	GMFFDFKVHLZBGG-BPCQOVAHSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(F)F)cc1	ZINC000796742228	629958674	/nfs/dbraw/zinc/95/86/74/629958674.db2.gz	AEESBPMQBDDOSG-LBPRGKRZSA-N	-1	0	294.301	2.645	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	ZINC000797705027	630097090	/nfs/dbraw/zinc/09/70/90/630097090.db2.gz	XCICECIEBHOBKE-MELADBBJSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cc(C)cc(C)c1	ZINC000797720459	630097972	/nfs/dbraw/zinc/09/79/72/630097972.db2.gz	IIEIAUAHQVVVIE-CYBMUJFWSA-N	-1	0	290.363	2.647	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CSC)cc1	ZINC000797743412	630098505	/nfs/dbraw/zinc/09/85/05/630098505.db2.gz	QDNRXNIXTVHGKY-UHFFFAOYSA-N	-1	0	294.376	2.654	20	30		CFEDRM
C[C@H]1CC[C@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000800809302	630406239	/nfs/dbraw/zinc/40/62/39/630406239.db2.gz	IPRDEAGSBLAZPM-QWRGUYRKSA-N	-1	0	287.388	2.955	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=CCOCC2)s1	ZINC000802249821	630519094	/nfs/dbraw/zinc/51/90/94/630519094.db2.gz	GSVPCMUQXKIBBK-NSHDSACASA-N	-1	0	290.388	2.964	20	30		CFEDRM
COCCCn1nccc1/C=C\C(=O)c1ccccc1[O-]	ZINC000802705859	630538808	/nfs/dbraw/zinc/53/88/08/630538808.db2.gz	VIBUAYMKYOBBPR-FPLPWBNLSA-N	-1	0	286.331	2.521	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1cn2c(n1)CCCC2	ZINC000807957934	630926266	/nfs/dbraw/zinc/92/62/66/630926266.db2.gz	CXTITRFCTIKYOX-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C	ZINC000837044276	630943633	/nfs/dbraw/zinc/94/36/33/630943633.db2.gz	LLMYJJAEAWEYCU-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)Sc1ccccc1	ZINC000837047254	630945567	/nfs/dbraw/zinc/94/55/67/630945567.db2.gz	ZVYXTKIEQOVVLG-LBPRGKRZSA-N	-1	0	251.351	2.791	20	30		CFEDRM
N#Cc1ccccc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809155994	631090669	/nfs/dbraw/zinc/09/06/69/631090669.db2.gz	BAAHLEZHKZEKIM-ALCCZGGFSA-N	-1	0	293.278	2.858	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1cccc(Cl)c1[O-]	ZINC000837889544	631148320	/nfs/dbraw/zinc/14/83/20/631148320.db2.gz	OKOWCXWAXMKZNY-UHFFFAOYSA-N	-1	0	266.728	2.715	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710245	631175630	/nfs/dbraw/zinc/17/56/30/631175630.db2.gz	RANPDELVIAVAPY-KYHDUPIVSA-N	-1	0	296.710	2.716	20	30		CFEDRM
C[C@@H]1C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)O1	ZINC000840713002	631176177	/nfs/dbraw/zinc/17/61/77/631176177.db2.gz	NWSJHHHIEIHRPS-VLVZKOMMSA-N	-1	0	278.308	2.533	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000042272054	649997618	/nfs/dbraw/zinc/99/76/18/649997618.db2.gz	OECZHESRAYEPPR-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1	ZINC000042302595	649997402	/nfs/dbraw/zinc/99/74/02/649997402.db2.gz	VKHJBDGRUIJZIM-GFCCVEGCSA-N	-1	0	290.344	2.560	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccco1	ZINC000042301723	649997450	/nfs/dbraw/zinc/99/74/50/649997450.db2.gz	FKCZWSLNCQAUHK-UHFFFAOYSA-N	-1	0	285.708	2.627	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000042304894	649997471	/nfs/dbraw/zinc/99/74/71/649997471.db2.gz	QCFGEKJGEKOBAD-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)c(C)s1	ZINC000042344929	649998246	/nfs/dbraw/zinc/99/82/46/649998246.db2.gz	JXIVQHVREVUUHE-UHFFFAOYSA-N	-1	0	275.395	2.799	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)c1ccc(C2CCCC2)cc1	ZINC000810644226	631416002	/nfs/dbraw/zinc/41/60/02/631416002.db2.gz	VRHOPWGIMBRWJQ-UHFFFAOYSA-N	-1	0	293.388	2.590	20	30		CFEDRM
CC([NH2+]Nc1ccc(C(=O)[O-])cc1)=C1CC1(F)F	ZINC000841605415	631428396	/nfs/dbraw/zinc/42/83/96/631428396.db2.gz	ZSUIXZTTXUAPHF-SNVBAGLBSA-N	-1	0	254.236	2.828	20	30		CFEDRM
CC(=NOCCOC(C)C)c1ccc(C(=O)[O-])c(F)c1	ZINC000812238584	631675894	/nfs/dbraw/zinc/67/58/94/631675894.db2.gz	AMJVDFPWUXKSHH-UHFFFAOYSA-N	-1	0	283.299	2.690	20	30		CFEDRM
N#CC(=C([O-])C1=CCOCC1)c1nc(C2CC2)cs1	ZINC000842942592	631788096	/nfs/dbraw/zinc/78/80/96/631788096.db2.gz	BZVYVMPMUAUPIN-LLVKDONJSA-N	-1	0	274.345	2.543	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1cc(C(F)(F)F)ccn1	ZINC000813216966	631882677	/nfs/dbraw/zinc/88/26/77/631882677.db2.gz	ISCRXLUUABLBDW-NSHDSACASA-N	-1	0	296.248	2.971	20	30		CFEDRM
C[C@@H]1SCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000843265278	631913330	/nfs/dbraw/zinc/91/33/30/631913330.db2.gz	VVKGTLOEAWTMMF-LRJBRSAISA-N	-1	0	266.322	2.613	20	30		CFEDRM
O=C(/C=C\c1cnn(CC(F)F)c1)c1ccccc1[O-]	ZINC000814190986	632028909	/nfs/dbraw/zinc/02/89/09/632028909.db2.gz	XPLKBGFCRNHCBZ-WAYWQWQTSA-N	-1	0	278.258	2.750	20	30		CFEDRM
CC[C@H](NN=C/C(C)=C\c1ccccc1COC)C(=O)[O-]	ZINC000814228981	632042014	/nfs/dbraw/zinc/04/20/14/632042014.db2.gz	OJVQUFKHCKRTGI-CJDFDLHKSA-N	-1	0	290.363	2.675	20	30		CFEDRM
[O-]c1c(Br)cccc1C=NOCC1CC1	ZINC000814243130	632043645	/nfs/dbraw/zinc/04/36/45/632043645.db2.gz	HDDIKANJWIZHSP-UHFFFAOYSA-N	-1	0	270.126	2.915	20	30		CFEDRM
COc1cc(C(C)=NOCCC2CC2)cc([N+](=O)[O-])c1[O-]	ZINC000814246352	632044309	/nfs/dbraw/zinc/04/43/09/632044309.db2.gz	JBLQQGUXAONOOX-UHFFFAOYSA-N	-1	0	294.307	2.850	20	30		CFEDRM
CC(=NOCCC1CC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000814246902	632045389	/nfs/dbraw/zinc/04/53/89/632045389.db2.gz	HOSKKYQRXAFXRI-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C#CC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1	ZINC000844045901	632102859	/nfs/dbraw/zinc/10/28/59/632102859.db2.gz	UXBUIKCEJMDNJJ-UHFFFAOYSA-N	-1	0	286.356	2.602	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1nc2ccccc2[nH]1	ZINC000814708804	632111765	/nfs/dbraw/zinc/11/17/65/632111765.db2.gz	NAAXLLYEWNONME-UHFFFAOYSA-N	-1	0	286.335	2.996	20	30		CFEDRM
CC(N=Nc1ccccn1)c1cc(C(=O)[O-])cs1	ZINC000814729857	632115388	/nfs/dbraw/zinc/11/53/88/632115388.db2.gz	DVVKZJSJQVDBPA-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CC(=NNc1ccccn1)c1csc(C(=O)[O-])c1	ZINC000814731759	632115444	/nfs/dbraw/zinc/11/54/44/632115444.db2.gz	IDBKZFLULWBOTL-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(C#N)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814803250	632127045	/nfs/dbraw/zinc/12/70/45/632127045.db2.gz	OIDDMTLOLYWSEN-PWSUYJOCSA-N	-1	0	271.320	2.847	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])[C@H](C)C2)nc1	ZINC000814831824	632134385	/nfs/dbraw/zinc/13/43/85/632134385.db2.gz	SFXXILUOHGZCAJ-ZYHUDNBSSA-N	-1	0	261.325	2.679	20	30		CFEDRM
COc1cc(F)cc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814870444	632144311	/nfs/dbraw/zinc/14/43/11/632144311.db2.gz	CIZBGEHECOFBDG-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCCCSC	ZINC000814887585	632149948	/nfs/dbraw/zinc/14/99/48/632149948.db2.gz	TZUYILLVKIJUMA-UHFFFAOYSA-N	-1	0	282.365	2.934	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccco1	ZINC000814890555	632150898	/nfs/dbraw/zinc/15/08/98/632150898.db2.gz	RVWVUPLJVYIWES-UHFFFAOYSA-N	-1	0	259.265	2.599	20	30		CFEDRM
CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])cn1	ZINC000814890206	632151237	/nfs/dbraw/zinc/15/12/37/632151237.db2.gz	XTIIGJLLJDUAMH-UHFFFAOYSA-N	-1	0	267.354	2.709	20	30		CFEDRM
CC(=NOCC(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814904029	632157362	/nfs/dbraw/zinc/15/73/62/632157362.db2.gz	NQOQRACYJQLTQT-BDAKNGLRSA-N	-1	0	263.284	2.781	20	30		CFEDRM
CC(=NOC1CCOCC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814906074	632158001	/nfs/dbraw/zinc/15/80/01/632158001.db2.gz	FAEAUSUFSAVGGA-YPMHNXCESA-N	-1	0	283.368	2.695	20	30		CFEDRM
COc1nccnc1N=NC(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814905265	632158276	/nfs/dbraw/zinc/15/82/76/632158276.db2.gz	CKOVDAXVCQSLMI-SNVBAGLBSA-N	-1	0	294.355	2.554	20	30		CFEDRM
C[C@@H]1C(=NOC2CCOCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814906020	632158427	/nfs/dbraw/zinc/15/84/27/632158427.db2.gz	CKMQIUAMHFGLLH-ZYHUDNBSSA-N	-1	0	283.368	2.695	20	30		CFEDRM
CC(=NN[C@H]1CCOC(C)(C)C1)c1csc(C(=O)[O-])c1	ZINC000814908614	632160051	/nfs/dbraw/zinc/16/00/51/632160051.db2.gz	RKMJPRAWKPPERK-NSHDSACASA-N	-1	0	296.392	2.718	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814911531	632161988	/nfs/dbraw/zinc/16/19/88/632161988.db2.gz	MLJDVXVUKYMGES-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cnn(C)c1	ZINC000814914759	632162727	/nfs/dbraw/zinc/16/27/27/632162727.db2.gz	HZQMDLJAZKSANM-UHFFFAOYSA-N	-1	0	266.345	2.633	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814916177	632163480	/nfs/dbraw/zinc/16/34/80/632163480.db2.gz	CGBODNZUNGFDJU-WDEREUQCSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CC(=NNCCc1ccncc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814924957	632166797	/nfs/dbraw/zinc/16/67/97/632166797.db2.gz	JLJKQBQFIIRLLZ-CYBMUJFWSA-N	-1	0	291.395	2.871	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1cccc(F)n1	ZINC000814927803	632168488	/nfs/dbraw/zinc/16/84/88/632168488.db2.gz	HNSYQPNBNHGBRU-UHFFFAOYSA-N	-1	0	265.288	2.654	20	30		CFEDRM
C=CCNN=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000814927955	632168609	/nfs/dbraw/zinc/16/86/09/632168609.db2.gz	OVAKHGRQNZJNTE-CYBMUJFWSA-N	-1	0	290.363	2.623	20	30		CFEDRM
CC(=NOCC1CC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814940952	632175852	/nfs/dbraw/zinc/17/58/52/632175852.db2.gz	IIZQPYQSVOHIFO-NSHDSACASA-N	-1	0	277.320	2.689	20	30		CFEDRM
CC(CCc1ccc(OCC(=O)[O-])cc1)=NOCC1CC1	ZINC000814940847	632176268	/nfs/dbraw/zinc/17/62/68/632176268.db2.gz	BTAAUOCOVMQSGW-UHFFFAOYSA-N	-1	0	291.347	2.885	20	30		CFEDRM
O=C([O-])CNN=C1CCCc2c3ccccc3sc21	ZINC000814959786	632179653	/nfs/dbraw/zinc/17/96/53/632179653.db2.gz	CLGISTFNIPOUJE-UHFFFAOYSA-N	-1	0	274.345	2.616	20	30		CFEDRM
C/C(C=NNCC(=O)[O-])=C\c1cccc(C(F)(F)F)c1	ZINC000814958725	632180025	/nfs/dbraw/zinc/18/00/25/632180025.db2.gz	MZBWDOBYAPAMNJ-GHRSPEIPSA-N	-1	0	286.253	2.769	20	30		CFEDRM
CCn1c2ccccc2c2cc(C=NNCC(=O)[O-])ccc21	ZINC000814958445	632180078	/nfs/dbraw/zinc/18/00/78/632180078.db2.gz	SSHXLSQNXXUWGD-UHFFFAOYSA-N	-1	0	295.342	2.823	20	30		CFEDRM
CCC(=NNC[C@@H](C)O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000814963699	632181322	/nfs/dbraw/zinc/18/13/22/632181322.db2.gz	OXPMBARKZMRJEB-SSDOTTSWSA-N	-1	0	291.178	2.784	20	30		CFEDRM
CC[C@@H](NN=C1CCc2ccc(F)c(Cl)c21)C(=O)[O-]	ZINC000844597926	632259701	/nfs/dbraw/zinc/25/97/01/632259701.db2.gz	MLVSJCVFGZNYIE-SECBINFHSA-N	-1	0	284.718	2.582	20	30		CFEDRM
C=CC[C@@H]1CCC(N=Nc2ccc(C(=O)[O-])nc2)C1	ZINC000844601780	632261346	/nfs/dbraw/zinc/26/13/46/632261346.db2.gz	VMQUJAOCDPEDOO-SNVBAGLBSA-N	-1	0	259.309	2.924	20	30		CFEDRM
C=C[C@@H](C)ON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000844623517	632266749	/nfs/dbraw/zinc/26/67/49/632266749.db2.gz	HKWHLAGMIZEJQN-MRVPVSSYSA-N	-1	0	263.293	2.918	20	30		CFEDRM
COCC(N=Nc1cccc(C(=O)[O-])c1C)C1CC1	ZINC000844622962	632266850	/nfs/dbraw/zinc/26/68/50/632266850.db2.gz	GHBDJIHSLDHOLR-UHFFFAOYSA-N	-1	0	262.309	2.518	20	30		CFEDRM
Cc1c(N=NC2C[C@H](C)O[C@@H]2C)cccc1C(=O)[O-]	ZINC000844622480	632266900	/nfs/dbraw/zinc/26/69/00/632266900.db2.gz	DEMSHDBGFUKNBS-WCBMZHEXSA-N	-1	0	262.309	2.658	20	30		CFEDRM
Cc1c(N=NCCC[C@H]2CCO2)cccc1C(=O)[O-]	ZINC000844622530	632266953	/nfs/dbraw/zinc/26/69/53/632266953.db2.gz	FJVHPMUMQMZMEW-NSHDSACASA-N	-1	0	262.309	2.660	20	30		CFEDRM
CCC(=NNc1cccc(C(=O)[O-])c1C)c1ccn(C)n1	ZINC000844622904	632266997	/nfs/dbraw/zinc/26/69/97/632266997.db2.gz	FIPLNCQHDFDPSB-UHFFFAOYSA-N	-1	0	286.335	2.653	20	30		CFEDRM
Cc1c(N=NC(C)CCCCO)cccc1C(=O)[O-]	ZINC000844623968	632267879	/nfs/dbraw/zinc/26/78/79/632267879.db2.gz	OTVXPHUWDPQVHU-UHFFFAOYSA-N	-1	0	264.325	2.644	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000844626522	632268551	/nfs/dbraw/zinc/26/85/51/632268551.db2.gz	WWROAZPLRHFTEC-MRVPVSSYSA-N	-1	0	262.309	2.712	20	30		CFEDRM
C=C[C@H](C)ON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000844626285	632268623	/nfs/dbraw/zinc/26/86/23/632268623.db2.gz	SZOMNQLWNCOMGJ-GWCFXTLKSA-N	-1	0	259.305	2.944	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845844922	632579185	/nfs/dbraw/zinc/57/91/85/632579185.db2.gz	KTRUADRDZSPYSK-CYBMUJFWSA-N	-1	0	294.310	2.606	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NNC=CC(F)(F)F	ZINC000817325716	632602476	/nfs/dbraw/zinc/60/24/76/632602476.db2.gz	FWBPGCGOMIQDQP-UHFFFAOYSA-N	-1	0	276.214	2.744	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccccc1C(C)(C)C	ZINC000846150425	632648022	/nfs/dbraw/zinc/64/80/22/632648022.db2.gz	GRFLCJVNIWWFHL-UHFFFAOYSA-N	-1	0	290.363	2.547	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc(C2CCC2)c1	ZINC000846157271	632649198	/nfs/dbraw/zinc/64/91/98/632649198.db2.gz	SVSDNKYVBVAVQW-LLVKDONJSA-N	-1	0	288.347	2.515	20	30		CFEDRM
C#CC[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1	ZINC000817572717	632666846	/nfs/dbraw/zinc/66/68/46/632666846.db2.gz	YQMOOJOXMFJOBR-HNNXBMFYSA-N	-1	0	299.370	2.902	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(-c2ccc(C)o2)n1	ZINC000846262948	632676894	/nfs/dbraw/zinc/67/68/94/632676894.db2.gz	OQJTUDDYLGSBNX-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
CC[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000817706716	632688265	/nfs/dbraw/zinc/68/82/65/632688265.db2.gz	FETUPMOELTXQNZ-HODWKROWSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846531503	632723181	/nfs/dbraw/zinc/72/31/81/632723181.db2.gz	CHXXELLGZBVXCJ-INIZCTEOSA-N	-1	0	295.379	2.679	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000846533802	632724013	/nfs/dbraw/zinc/72/40/13/632724013.db2.gz	FGFFCXVGOCIFGH-CYBMUJFWSA-N	-1	0	275.348	2.955	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846534340	632724372	/nfs/dbraw/zinc/72/43/72/632724372.db2.gz	PQLVYLKGZHNCKQ-NSHDSACASA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1nc(C(C)C)c(C)s1	ZINC000846535184	632724537	/nfs/dbraw/zinc/72/45/37/632724537.db2.gz	SFRHGDMWROZCMI-UHFFFAOYSA-N	-1	0	268.382	2.741	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCSc2ccccc21	ZINC000846536970	632726305	/nfs/dbraw/zinc/72/63/05/632726305.db2.gz	DYODFFSINWDZMD-GFCCVEGCSA-N	-1	0	263.362	2.890	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1	ZINC000846537100	632726547	/nfs/dbraw/zinc/72/65/47/632726547.db2.gz	BABDNYXFDKNBIE-NSHDSACASA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@H](C)C1	ZINC000846538003	632727823	/nfs/dbraw/zinc/72/78/23/632727823.db2.gz	RGQQXCKPAOTDHC-IHRRRGAJSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(-c2cccs2)oc1C	ZINC000846542989	632731517	/nfs/dbraw/zinc/73/15/17/632731517.db2.gz	FAXTWKBUSYEEHT-SECBINFHSA-N	-1	0	292.360	2.876	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1C	ZINC000846544712	632732960	/nfs/dbraw/zinc/73/29/60/632732960.db2.gz	BYALHYBKOVHXFQ-QWHCGFSZSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1cccc(F)c1	ZINC000846546035	632734416	/nfs/dbraw/zinc/73/44/16/632734416.db2.gz	RXOVSGNPMOSKES-JTQLQIEISA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1F	ZINC000846546949	632734991	/nfs/dbraw/zinc/73/49/91/632734991.db2.gz	MNNVAABPZJZDPC-PWSUYJOCSA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000846547618	632736056	/nfs/dbraw/zinc/73/60/56/632736056.db2.gz	BBSBENRTHPJSAD-WFASDCNBSA-N	-1	0	288.347	2.584	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)c1ccc(OC)cc1	ZINC000846548161	632736436	/nfs/dbraw/zinc/73/64/36/632736436.db2.gz	IBSQHPPVCXOPQO-SMDDNHRTSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)c1ccc(OC)cc1	ZINC000846548151	632736637	/nfs/dbraw/zinc/73/66/37/632736637.db2.gz	IBSQHPPVCXOPQO-BXUZGUMPSA-N	-1	0	263.337	2.811	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1	ZINC000847624775	633011264	/nfs/dbraw/zinc/01/12/64/633011264.db2.gz	XWWZLWPGHRPCBZ-AWEZNQCLSA-N	-1	0	286.375	2.831	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(C2CC2)c1	ZINC000847625412	633011283	/nfs/dbraw/zinc/01/12/83/633011283.db2.gz	KNNCTAQASGDKQQ-INIZCTEOSA-N	-1	0	296.370	2.945	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1	ZINC000847624135	633011341	/nfs/dbraw/zinc/01/13/41/633011341.db2.gz	KEMAUECCBYKMMI-AWEZNQCLSA-N	-1	0	284.359	2.609	20	30		CFEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1	ZINC000847665583	633031553	/nfs/dbraw/zinc/03/15/53/633031553.db2.gz	WGGAKNXRSOCTKZ-CQSZACIVSA-N	-1	0	293.326	2.503	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000848280388	633229955	/nfs/dbraw/zinc/22/99/55/633229955.db2.gz	FRYVYDCIQNLDOR-JTQLQIEISA-N	-1	0	263.724	2.531	20	30		CFEDRM
CC[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848414927	633253167	/nfs/dbraw/zinc/25/31/67/633253167.db2.gz	FYSUMNPADWETJX-AWEZNQCLSA-N	-1	0	276.336	2.671	20	30		CFEDRM
COC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCC1	ZINC000848415108	633253236	/nfs/dbraw/zinc/25/32/36/633253236.db2.gz	WIILAJIOKKFUMP-UHFFFAOYSA-N	-1	0	276.336	2.671	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NCCC[C@H]2CCOC2)cc1	ZINC000848415222	633253476	/nfs/dbraw/zinc/25/34/76/633253476.db2.gz	YRJFRAQXFCCGQM-ZDUSSCGKSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCOCC1	ZINC000848415169	633253491	/nfs/dbraw/zinc/25/34/91/633253491.db2.gz	IEGFQQUYQNCJEM-UHFFFAOYSA-N	-1	0	276.336	2.528	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc(O)cc1[O-]	ZINC000848639792	633306084	/nfs/dbraw/zinc/30/60/84/633306084.db2.gz	DPMQTNDLZGIZPT-DAXSKMNVSA-N	-1	0	284.315	2.527	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cc3n(n2)CCCC3)c([O-])c1	ZINC000848640623	633306543	/nfs/dbraw/zinc/30/65/43/633306543.db2.gz	QIPVPIIEMXRMPF-YVMONPNESA-N	-1	0	298.342	2.830	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)C[C@@H](C)CC(=O)[O-])c1	ZINC000848876942	633356847	/nfs/dbraw/zinc/35/68/47/633356847.db2.gz	PJIJQWNMEVXUQC-GFCCVEGCSA-N	-1	0	273.332	2.522	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2O)c2ncnn21	ZINC000849170709	633578319	/nfs/dbraw/zinc/57/83/19/633578319.db2.gz	SWYZZJOIOUHUGZ-GMWWZTKCSA-N	-1	0	276.727	2.762	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2cc3n(n2)CCC3)c([O-])c1	ZINC000849245769	633589018	/nfs/dbraw/zinc/58/90/18/633589018.db2.gz	CDDDLSWDOIDLJA-ALCCZGGFSA-N	-1	0	268.316	2.739	20	30		CFEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1ccc(O)cc1[O-]	ZINC000849247070	633590076	/nfs/dbraw/zinc/59/00/76/633590076.db2.gz	PFLCKNKAMDQCOM-UTCJRWHESA-N	-1	0	284.315	2.600	20	30		CFEDRM
C#CC[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000849348104	633625114	/nfs/dbraw/zinc/62/51/14/633625114.db2.gz	HVNFOJJREXVQHM-NSHDSACASA-N	-1	0	288.303	2.533	20	30		CFEDRM
C#CC[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1	ZINC000849348103	633625181	/nfs/dbraw/zinc/62/51/81/633625181.db2.gz	HVNFOJJREXVQHM-LLVKDONJSA-N	-1	0	288.303	2.533	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2Cc2ccccn2)n1	ZINC000853254427	634953301	/nfs/dbraw/zinc/95/33/01/634953301.db2.gz	VAIGJURKDRCDKR-GFCCVEGCSA-N	-1	0	297.362	2.696	20	30		CFEDRM
Cc1nnc(N=NC2CCC(=C3CCC3)CC2)[n-]c1=O	ZINC000853270020	634956392	/nfs/dbraw/zinc/95/63/92/634956392.db2.gz	GIDHHDBMYXWFIJ-UHFFFAOYSA-N	-1	0	273.340	2.708	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC1CC(CF)(CF)C1	ZINC000853280851	634958508	/nfs/dbraw/zinc/95/85/08/634958508.db2.gz	QVTHAKQYKCVYAQ-UHFFFAOYSA-N	-1	0	268.263	2.872	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1CCSCC1	ZINC000853325662	634969294	/nfs/dbraw/zinc/96/92/94/634969294.db2.gz	MYYFAYFVAJDENZ-UHFFFAOYSA-N	-1	0	294.376	2.934	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1	ZINC000853354800	634981211	/nfs/dbraw/zinc/98/12/11/634981211.db2.gz	WOHLJVKZPHRJCI-GUDFOSOFSA-N	-1	0	262.284	2.968	20	30		CFEDRM
CC(=NN1CCCC[C@H]1C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000853379385	634987250	/nfs/dbraw/zinc/98/72/50/634987250.db2.gz	IHQRUTKIZQLLQA-SNVBAGLBSA-N	-1	0	289.379	2.995	20	30		CFEDRM
CC(=NN1CCCC[C@@H]1C)c1cccc(OCC(=O)[O-])c1	ZINC000853379580	634987371	/nfs/dbraw/zinc/98/73/71/634987371.db2.gz	PIUXAVILSHUGTQ-LBPRGKRZSA-N	-1	0	290.363	2.748	20	30		CFEDRM
CC(=NN1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1O	ZINC000853380939	634988176	/nfs/dbraw/zinc/98/81/76/634988176.db2.gz	YJDCDODSDCMUIK-JTQLQIEISA-N	-1	0	276.336	2.689	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000854645014	635354702	/nfs/dbraw/zinc/35/47/02/635354702.db2.gz	KMMJMLOWEHWWOX-UHFFFAOYSA-N	-1	0	289.360	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855026867	635445235	/nfs/dbraw/zinc/44/52/35/635445235.db2.gz	RJQLCNQXQKIDIW-LLVKDONJSA-N	-1	0	285.384	2.614	20	30		CFEDRM
N#CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000855254037	635494174	/nfs/dbraw/zinc/49/41/74/635494174.db2.gz	CRPJENWJTBNYLV-SNVBAGLBSA-N	-1	0	278.739	2.811	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(Cl)cc1Cl	ZINC000856028489	635704062	/nfs/dbraw/zinc/70/40/62/635704062.db2.gz	UUMACRHRDRGAQM-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000856028383	635704490	/nfs/dbraw/zinc/70/44/90/635704490.db2.gz	SAHHMSAQANSJEE-NSHDSACASA-N	-1	0	285.384	2.614	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccccc1Cl	ZINC000856029937	635705183	/nfs/dbraw/zinc/70/51/83/635705183.db2.gz	JEUTYNFXJFEUPZ-SNVBAGLBSA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccc(SC)cc1	ZINC000856032248	635707965	/nfs/dbraw/zinc/70/79/65/635707965.db2.gz	LHVKAMAKTTUQFO-NSHDSACASA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1SCCc2ccccc21	ZINC000856032246	635708097	/nfs/dbraw/zinc/70/80/97/635708097.db2.gz	LHTBKLGOQKLCQT-ZDUSSCGKSA-N	-1	0	263.362	2.641	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cccc(Cl)c1C	ZINC000856032199	635708105	/nfs/dbraw/zinc/70/81/05/635708105.db2.gz	JPTTYQXYOOBIBE-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@H]1CCCc2ccccc21	ZINC000856034399	635708911	/nfs/dbraw/zinc/70/89/11/635708911.db2.gz	GBVQSAVDANDWPC-HNNXBMFYSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)c1c(F)cccc1F	ZINC000856034544	635710167	/nfs/dbraw/zinc/71/01/67/635710167.db2.gz	PMUALVDVWLWHJY-VIFPVBQESA-N	-1	0	255.264	2.692	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCCOCC1	ZINC000857207526	635947118	/nfs/dbraw/zinc/94/71/18/635947118.db2.gz	HDMWJYGJURGZLU-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCCOCC1	ZINC000857211570	635947667	/nfs/dbraw/zinc/94/76/67/635947667.db2.gz	JLBVGWLEQBRYAV-LLVKDONJSA-N	-1	0	292.335	2.608	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C)c1	ZINC000049135130	650289137	/nfs/dbraw/zinc/28/91/37/650289137.db2.gz	XRIGZSUTGLMBEC-LBPRGKRZSA-N	-1	0	299.392	2.701	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862132515	637278820	/nfs/dbraw/zinc/27/88/20/637278820.db2.gz	HVUSVHCNALOKAP-UHFFFAOYSA-N	-1	0	284.359	2.994	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(C(C)C)c1	ZINC000863067674	637548763	/nfs/dbraw/zinc/54/87/63/637548763.db2.gz	HGRXACSCNBCKPR-UHFFFAOYSA-N	-1	0	285.351	2.845	20	30		CFEDRM
Cc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)n1	ZINC000863160385	637574322	/nfs/dbraw/zinc/57/43/22/637574322.db2.gz	BVQWHKBWAHKIDR-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000863982557	637831523	/nfs/dbraw/zinc/83/15/23/637831523.db2.gz	SYRZHIXTAUGQKL-LBPRGKRZSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC(C)(C)c1ccc(F)cc1	ZINC000864135430	637890157	/nfs/dbraw/zinc/89/01/57/637890157.db2.gz	MKKGBPUHPQPLHC-UHFFFAOYSA-N	-1	0	293.338	2.593	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864156018	637894994	/nfs/dbraw/zinc/89/49/94/637894994.db2.gz	QUACOBYSYPGNJQ-VOTSOKGWSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000864182627	637906323	/nfs/dbraw/zinc/90/63/23/637906323.db2.gz	BQCFMLAYKBLBNN-QDZRJHCZSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000864183295	637906874	/nfs/dbraw/zinc/90/68/74/637906874.db2.gz	RPBNMHUVQZZBFF-CHWSQXEVSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)C(=O)[O-]	ZINC000864186055	637907224	/nfs/dbraw/zinc/90/72/24/637907224.db2.gz	HYGANESQDOSPEI-FBIMIBRVSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)C(=O)[O-]	ZINC000864186093	637907367	/nfs/dbraw/zinc/90/73/67/637907367.db2.gz	IUXHWIOQQPQFCW-SRVKXCTJSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](C)CCC)C(=O)[O-]	ZINC000864184955	637907514	/nfs/dbraw/zinc/90/75/14/637907514.db2.gz	UMHXXBTYBHPOGY-PSASIEDQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCC1)C(=O)[O-]	ZINC000864186096	637907545	/nfs/dbraw/zinc/90/75/45/637907545.db2.gz	IUXHWIOQQPQFCW-WOPDTQHZSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000864184779	637907662	/nfs/dbraw/zinc/90/76/62/637907662.db2.gz	SQBBXCXRYLEHHI-AAEUAGOBSA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)[O-]	ZINC000864187693	637909165	/nfs/dbraw/zinc/90/91/65/637909165.db2.gz	CCOQQMAYHZPUDV-HBNTYKKESA-N	-1	0	299.779	2.564	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000864187797	637909290	/nfs/dbraw/zinc/90/92/90/637909290.db2.gz	OSXYQCJEGZGQEG-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@H]2CCSC2)c1	ZINC000864347452	637948009	/nfs/dbraw/zinc/94/80/09/637948009.db2.gz	QWCHPEGOWFQIRT-CEITULEQSA-N	-1	0	280.349	2.863	20	30		CFEDRM
C=C(C)C[C@@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000864530007	638013758	/nfs/dbraw/zinc/01/37/58/638013758.db2.gz	QMCPENMJYLHLEP-SNVBAGLBSA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)NCCC(C)(C)CC)C(=O)[O-]	ZINC000864539989	638019005	/nfs/dbraw/zinc/01/90/05/638019005.db2.gz	RGPNZIVWFWBCGC-JTQLQIEISA-N	-1	0	290.791	2.708	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000864583433	638033299	/nfs/dbraw/zinc/03/32/99/638033299.db2.gz	SKZMRHDTILMYFN-QMMMGPOBSA-N	-1	0	288.756	2.774	20	30		CFEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1cccs1	ZINC000076756729	650401189	/nfs/dbraw/zinc/40/11/89/650401189.db2.gz	TZFPOELFAYEOMM-UHFFFAOYSA-N	-1	0	259.352	2.584	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cn(C3CC3)cn2)c([O-])c1	ZINC000865220549	638226052	/nfs/dbraw/zinc/22/60/52/638226052.db2.gz	LXXPMWTZLJPSMX-FARCUNLSSA-N	-1	0	284.315	2.828	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000076910186	650409919	/nfs/dbraw/zinc/40/99/19/650409919.db2.gz	OOYQCRGUIQKPDY-LBPRGKRZSA-N	-1	0	283.393	2.952	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccccc21	ZINC000077558838	650431877	/nfs/dbraw/zinc/43/18/77/650431877.db2.gz	SIPJNJSMJGCDIM-LBPRGKRZSA-N	-1	0	297.376	2.639	20	30		CFEDRM
CCc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2[O-])on1	ZINC000866272608	638786422	/nfs/dbraw/zinc/78/64/22/638786422.db2.gz	XVCHDOQQAFRQSJ-SNVBAGLBSA-N	-1	0	271.320	2.665	20	30		CFEDRM
CC[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])C(F)F	ZINC000866364442	638804908	/nfs/dbraw/zinc/80/49/08/638804908.db2.gz	BQGMUPSFVHZHPH-GZMMTYOYSA-N	-1	0	254.280	2.958	20	30		CFEDRM
C[C@H](NCc1nn(C)cc1Cl)c1cccc(C#N)c1[O-]	ZINC000866366919	638805935	/nfs/dbraw/zinc/80/59/35/638805935.db2.gz	DBQFKSXKERBEJB-VIFPVBQESA-N	-1	0	290.754	2.502	20	30		CFEDRM
C[C@@H]1CCC[C@H](CC(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000122525191	639184144	/nfs/dbraw/zinc/18/41/44/639184144.db2.gz	XVGJBEMXFODJBC-FRRDWIJNSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC/C=C/c1ccccc1	ZINC000191271302	650486815	/nfs/dbraw/zinc/48/68/15/650486815.db2.gz	HMFRVYDWLMUEJD-UXBLZVDNSA-N	-1	0	273.332	2.579	20	30		CFEDRM
CC(C)(C)c1csc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000870287252	639581226	/nfs/dbraw/zinc/58/12/26/639581226.db2.gz	HYGLMKSSSCBESE-SECBINFHSA-N	-1	0	286.360	2.721	20	30		CFEDRM
CC1(C)C[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C(C)(C)O1	ZINC000870691311	639773758	/nfs/dbraw/zinc/77/37/58/639773758.db2.gz	NOMUORFCYCFMBZ-CYBMUJFWSA-N	-1	0	288.347	2.562	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCCC2(F)F)c1	ZINC000870690610	639773822	/nfs/dbraw/zinc/77/38/22/639773822.db2.gz	ROHJGLQMRPYZGW-LBPRGKRZSA-N	-1	0	280.274	2.794	20	30		CFEDRM
CCCC(O)(CCC)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691720	639774696	/nfs/dbraw/zinc/77/46/96/639774696.db2.gz	PUDLTQIVPGDYGY-UHFFFAOYSA-N	-1	0	290.363	2.690	20	30		CFEDRM
CC[C@@H](OC1CCCC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693210	639775243	/nfs/dbraw/zinc/77/52/43/639775243.db2.gz	YVGZVGVUBAPEPF-OAHLLOKOSA-N	-1	0	288.347	2.706	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000078701075	650524722	/nfs/dbraw/zinc/52/47/22/650524722.db2.gz	BZPABSNACRVEON-ZHACJKMWSA-N	-1	0	265.334	2.910	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000078701037	650524835	/nfs/dbraw/zinc/52/48/35/650524835.db2.gz	YAKFXFQJAFCLRS-UHFFFAOYSA-N	-1	0	253.323	2.606	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCCCCC)CC1	ZINC000870831015	641089957	/nfs/dbraw/zinc/08/99/57/641089957.db2.gz	LXHIURLMKZAWKN-UHFFFAOYSA-N	-1	0	287.425	2.902	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)CC1	ZINC000870838219	641091829	/nfs/dbraw/zinc/09/18/29/641091829.db2.gz	QKOKBGHKPPMQOY-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC)CC2CCCC2)CC1	ZINC000870833756	641091832	/nfs/dbraw/zinc/09/18/32/641091832.db2.gz	BZLCXNJENZQLKX-CYBMUJFWSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CC)CCCCC)CC1	ZINC000870835535	641091884	/nfs/dbraw/zinc/09/18/84/641091884.db2.gz	PHJZPXOWZNHVDJ-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](C)CCCCCC)CC1	ZINC000870834966	641091952	/nfs/dbraw/zinc/09/19/52/641091952.db2.gz	WXOAGQDPGRTFBN-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)s1	ZINC000193371522	650647672	/nfs/dbraw/zinc/64/76/72/650647672.db2.gz	BFGYNBHXDVNZGR-GFCCVEGCSA-N	-1	0	292.404	2.994	20	30		CFEDRM
C#CCOc1ccc(NC(=O)c2c([O-])cccc2F)cc1	ZINC000123703087	641364201	/nfs/dbraw/zinc/36/42/01/641364201.db2.gz	VUWCXUHVSXACOA-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000871646777	641379897	/nfs/dbraw/zinc/37/98/97/641379897.db2.gz	RXJZJHGNRUIVKJ-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1csc2ccccc12	ZINC000193484586	650661631	/nfs/dbraw/zinc/66/16/31/650661631.db2.gz	QFRKWUHEPIWGEK-NSHDSACASA-N	-1	0	286.356	2.748	20	30		CFEDRM
Cc1[n-]n(C[C@@H]2CCCC2(F)F)c(=O)c1CCC#N	ZINC000871964247	641535443	/nfs/dbraw/zinc/53/54/43/641535443.db2.gz	ZZIGJSYWJHHDNO-QWRGUYRKSA-N	-1	0	269.295	2.560	20	30		CFEDRM
N#Cc1cc(SCC(=O)[O-])ccc1C(F)(F)F	ZINC000124013734	641729616	/nfs/dbraw/zinc/72/96/16/641729616.db2.gz	LANKSJMPZAUVKP-UHFFFAOYSA-N	-1	0	261.224	2.754	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@H]1F	ZINC000872360118	641768543	/nfs/dbraw/zinc/76/85/43/641768543.db2.gz	BALGPBXENKKEGL-SECBINFHSA-N	-1	0	266.272	2.683	20	30		CFEDRM
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NN1CCC1	ZINC000872398030	641791792	/nfs/dbraw/zinc/79/17/92/641791792.db2.gz	AUYIVWHWCCVCIZ-CYBMUJFWSA-N	-1	0	290.363	2.553	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000872751302	641920915	/nfs/dbraw/zinc/92/09/15/641920915.db2.gz	ANNVQYOQAFAEHQ-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000872982007	641976712	/nfs/dbraw/zinc/97/67/12/641976712.db2.gz	QZFIKWHZTGNAMY-PBHICJAKSA-N	-1	0	293.407	2.775	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000872981906	641977071	/nfs/dbraw/zinc/97/70/71/641977071.db2.gz	PEIPASKUOVKGQV-CQSZACIVSA-N	-1	0	291.391	2.674	20	30		CFEDRM
CO[C@@H](C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000195491168	650754673	/nfs/dbraw/zinc/75/46/73/650754673.db2.gz	IOZMQPAMFLVSJU-GWCFXTLKSA-N	-1	0	298.342	2.793	20	30		CFEDRM
Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1C#N	ZINC000874969854	642566916	/nfs/dbraw/zinc/56/69/16/642566916.db2.gz	GEQYAULQHWMWGO-UHFFFAOYSA-N	-1	0	295.294	2.810	20	30		CFEDRM
O=C(Cc1ccccc1F)[N-]S(=O)(=O)C1CCCC1	ZINC000084502385	650775683	/nfs/dbraw/zinc/77/56/83/650775683.db2.gz	PVDOOMKQZAYWLE-UHFFFAOYSA-N	-1	0	285.340	2.597	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1C[C@H]1c1ccco1	ZINC000086054505	650794577	/nfs/dbraw/zinc/79/45/77/650794577.db2.gz	ZVOKYZQDRPCJQY-GHMZBOCLSA-N	-1	0	283.349	2.612	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)CC)cc1	ZINC000126109418	642974892	/nfs/dbraw/zinc/97/48/92/642974892.db2.gz	YJVAVCVLPKVDLO-HNNXBMFYSA-N	-1	0	298.386	2.999	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)c1	ZINC000088800239	650820099	/nfs/dbraw/zinc/82/00/99/650820099.db2.gz	NWLDMVOEJYRHLZ-LBPRGKRZSA-N	-1	0	297.376	2.599	20	30		CFEDRM
CC(C)n1cccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000127127742	643906762	/nfs/dbraw/zinc/90/67/62/643906762.db2.gz	QSPKFQMMLBYSSD-UHFFFAOYSA-N	-1	0	269.304	2.899	20	30		CFEDRM
C#CCO[N-]C(=O)C(C)(C)c1ccc(C(F)(F)F)cc1	ZINC000880079858	644524666	/nfs/dbraw/zinc/52/46/66/644524666.db2.gz	VEAPFFCLDPNYPB-UHFFFAOYSA-N	-1	0	285.265	2.664	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(F)cc1F	ZINC000880549189	644761408	/nfs/dbraw/zinc/76/14/08/644761408.db2.gz	PTDRVDCSXZBBJT-VIFPVBQESA-N	-1	0	269.291	2.865	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000128675378	644853021	/nfs/dbraw/zinc/85/30/21/644853021.db2.gz	BNTNBIIZTRBFDB-LBPRGKRZSA-N	-1	0	276.336	2.525	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000128718838	644875516	/nfs/dbraw/zinc/87/55/16/644875516.db2.gz	JUAJBWAESNZZKP-UHFFFAOYSA-N	-1	0	299.374	2.742	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccccc1	ZINC000882235716	645250186	/nfs/dbraw/zinc/25/01/86/645250186.db2.gz	WTUYOEINVMJNBP-AWEZNQCLSA-N	-1	0	299.374	2.953	20	30		CFEDRM
CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1ccccc1	ZINC000131077578	645620317	/nfs/dbraw/zinc/62/03/17/645620317.db2.gz	DNZLXYDSFMBATJ-UGWHZMKHSA-N	-1	0	296.322	2.861	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1	ZINC000137225732	646888938	/nfs/dbraw/zinc/88/89/38/646888938.db2.gz	NVQXBUOBVOJOSY-UHFFFAOYSA-N	-1	0	296.351	2.649	20	30		CFEDRM
Cc1c(Cl)cnc(N2CCCC[C@@H]2CC(=O)[O-])c1C#N	ZINC000886914071	647173856	/nfs/dbraw/zinc/17/38/56/647173856.db2.gz	PMONHZHQUVVSDS-SNVBAGLBSA-N	-1	0	293.754	2.749	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCC3(COC3)CC2)c1	ZINC000887270055	647256523	/nfs/dbraw/zinc/25/65/23/647256523.db2.gz	GUJIBPONKFHYQM-PXNMLYILSA-N	-1	0	290.319	2.679	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CC3(CCC3)CO2)c1	ZINC000887270714	647257330	/nfs/dbraw/zinc/25/73/30/647257330.db2.gz	RZVSOLVZFRECEP-MJOIQJIUSA-N	-1	0	290.319	2.679	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CC3(CCC3)CO2)c1	ZINC000887270716	647257819	/nfs/dbraw/zinc/25/78/19/647257819.db2.gz	RZVSOLVZFRECEP-WJHGTXIHSA-N	-1	0	290.319	2.679	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])ccc1C1CC1	ZINC000887315918	647267777	/nfs/dbraw/zinc/26/77/77/647267777.db2.gz	FLMWLWZBNQNBMV-LSDHHAIUSA-N	-1	0	298.342	2.875	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034644	648974332	/nfs/dbraw/zinc/97/43/32/648974332.db2.gz	QXEHIKNPQYPSSQ-MWLCHTKSSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C[C@@H](CC#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931155722	649388387	/nfs/dbraw/zinc/38/83/87/649388387.db2.gz	VHLSLALKKOMROM-LURJTMIESA-N	-1	0	273.119	2.731	20	30		CFEDRM
C=CC1CCN(C(=O)c2cc(F)cc(F)c2[O-])CC1	ZINC000932505012	649612245	/nfs/dbraw/zinc/61/22/45/649612245.db2.gz	XPQKJHWOEFNYKP-UHFFFAOYSA-N	-1	0	267.275	2.709	20	30		CFEDRM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccco2)o1	ZINC000254840975	651096703	/nfs/dbraw/zinc/09/67/03/651096703.db2.gz	RANHPQOHQCZVTN-UHFFFAOYSA-N	-1	0	274.305	2.984	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc2c(c1)CCC2	ZINC000119764141	651300433	/nfs/dbraw/zinc/30/04/33/651300433.db2.gz	QHXUIQAQNOSJOY-INIZCTEOSA-N	-1	0	296.370	2.557	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(F)c1[O-])CCOC2	ZINC001243502342	782236797	/nfs/dbraw/zinc/23/67/97/782236797.db2.gz	TWZIRUMEKHWCPW-UHFFFAOYSA-N	-1	0	288.253	2.677	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2F)c(/C=N/O)c1	ZINC001243511625	782247126	/nfs/dbraw/zinc/24/71/26/782247126.db2.gz	IQOHMMBNINFHIK-NGYBGAFCSA-N	-1	0	292.241	2.842	20	30		CFEDRM
N#Cc1cc(-c2c(F)cc([O-])cc2F)nc(C2CC2)n1	ZINC001241119854	782252535	/nfs/dbraw/zinc/25/25/35/782252535.db2.gz	UCVJEADTYASDBO-UHFFFAOYSA-N	-1	0	273.242	2.876	20	30		CFEDRM
CCc1nc(C#N)c(C#N)nc1-c1ccc(Cl)c([O-])c1	ZINC001243579421	782289038	/nfs/dbraw/zinc/28/90/38/782289038.db2.gz	UILXBCLHKCVPHQ-UHFFFAOYSA-N	-1	0	284.706	2.808	20	30		CFEDRM
COc1ncc(-c2c(F)ccc([O-])c2F)cc1C#N	ZINC001241293439	782281367	/nfs/dbraw/zinc/28/13/67/782281367.db2.gz	XKSCZFGFADPBCP-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
Cc1ncc(C#N)c(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236143862	778715064	/nfs/dbraw/zinc/71/50/64/778715064.db2.gz	OSSGDJBYOBPNAZ-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
COc1ncc(-c2cc(/C=N/[O-])ccc2F)s1	ZINC001241414728	780859323	/nfs/dbraw/zinc/85/93/23/780859323.db2.gz	GOSZNDRVLREJPJ-LHHJGKSTSA-N	-1	0	252.270	2.766	20	30		CFEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cnc1C#N	ZINC001210206735	770235777	/nfs/dbraw/zinc/23/57/77/770235777.db2.gz	ARZVJPLIZFGNCI-UHFFFAOYSA-N	-1	0	268.251	2.722	20	30		CFEDRM
C[C@@H](Oc1cccc(/C=C\C(=O)c2ccncc2)c1)C(=O)[O-]	ZINC000588386390	770469611	/nfs/dbraw/zinc/46/96/11/770469611.db2.gz	MVEKZKUSLWIKIS-FOQNGQEVSA-N	-1	0	297.310	2.830	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@@H](C(=O)[O-])C2)c(Br)c1	ZINC000693376530	770565645	/nfs/dbraw/zinc/56/56/45/770565645.db2.gz	WZMLDHRDXGFOIR-DTORHVGOSA-N	-1	0	295.136	2.596	20	30		CFEDRM
Cc1c(C)n(-c2cc(C)cc(C(=O)[O-])c2)c(N)c1C#N	ZINC001211535203	770828834	/nfs/dbraw/zinc/82/88/34/770828834.db2.gz	SWDVMTHEJAUTGM-UHFFFAOYSA-N	-1	0	269.304	2.555	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1	ZINC000724456735	770887658	/nfs/dbraw/zinc/88/76/58/770887658.db2.gz	LFNHZHGLRDEEOT-KGLIPLIRSA-N	-1	0	277.364	2.516	20	30		CFEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(Cl)c1	ZINC000404214004	773206570	/nfs/dbraw/zinc/20/65/70/773206570.db2.gz	XJWWIJBQBBGDHZ-UHFFFAOYSA-N	-1	0	299.566	2.912	20	30		CFEDRM
Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1CO	ZINC001211588325	775131950	/nfs/dbraw/zinc/13/19/50/775131950.db2.gz	OIGQFWZTKVRHLC-UHFFFAOYSA-N	-1	0	272.279	2.947	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC[P@@](=O)([O-])O	ZINC001224603127	775223824	/nfs/dbraw/zinc/22/38/24/775223824.db2.gz	VLWXHXYWUOORMC-SRVKXCTJSA-N	-1	0	262.286	2.562	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ncccc1C#N	ZINC001211616642	775253461	/nfs/dbraw/zinc/25/34/61/775253461.db2.gz	RUTQZKKVNCVEAA-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C#C[C@@H](CC(C)C)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224902657	775302963	/nfs/dbraw/zinc/30/29/63/775302963.db2.gz	JPZJEYQTKSSAPC-AWEZNQCLSA-N	-1	0	296.388	2.540	20	30		CFEDRM
C=CC[C@H](C=C)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224901899	775304115	/nfs/dbraw/zinc/30/41/15/775304115.db2.gz	FPEZILDFRMLVQP-ZDUSSCGKSA-N	-1	0	282.361	2.623	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)Cc2ccco2)[nH]1	ZINC001225470098	775469134	/nfs/dbraw/zinc/46/91/34/775469134.db2.gz	QUFHSMVOCBRGQY-JTQLQIEISA-N	-1	0	258.277	2.570	20	30		CFEDRM
CCC1=C(Oc2ccc([S-])cc2)C(=O)[C@H](C)O1	ZINC001225555278	775498682	/nfs/dbraw/zinc/49/86/82/775498682.db2.gz	KZTYZNCBTQEVMT-QMMMGPOBSA-N	-1	0	250.319	2.964	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ncc2F)O1	ZINC001225881707	775622689	/nfs/dbraw/zinc/62/26/89/775622689.db2.gz	LMPDXEPRHNNIQQ-QMTHXVAHSA-N	-1	0	282.315	2.602	20	30		CFEDRM
C#Cc1cccnc1Nc1ccc(C(=O)[O-])c(C)c1	ZINC001211647834	775659954	/nfs/dbraw/zinc/65/99/54/775659954.db2.gz	LQWKONMCHIXHIV-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009133	775665806	/nfs/dbraw/zinc/66/58/06/775665806.db2.gz	SVTPMLNWYGYAKH-CYBMUJFWSA-N	-1	0	268.247	2.551	20	30		CFEDRM
C[C@H]1CC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)CC1	ZINC001226008886	775666183	/nfs/dbraw/zinc/66/61/83/775666183.db2.gz	NKJOYDPNPGSMBT-WAAGHKOSSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226015991	775668720	/nfs/dbraw/zinc/66/87/20/775668720.db2.gz	OSQOOZSANPDBBD-SSDOTTSWSA-N	-1	0	270.329	2.664	20	30		CFEDRM
O/N=C/c1cccc(OC[C@@H]2Cc3ccccc3O2)c1	ZINC001226110309	775702352	/nfs/dbraw/zinc/70/23/52/775702352.db2.gz	QAVWIBIVZZGYMP-ADFUCPMPSA-N	-1	0	269.300	2.877	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2ccccn2)c1C#N	ZINC001226221604	775740723	/nfs/dbraw/zinc/74/07/23/775740723.db2.gz	NMBOFDPUYCGAGZ-JTQLQIEISA-N	-1	0	255.277	2.502	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2COCc3ccccc32)c1C#N	ZINC001226220954	775741241	/nfs/dbraw/zinc/74/12/41/775741241.db2.gz	DAKRUXKYOVEPLO-CQSZACIVSA-N	-1	0	282.299	2.618	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccn2)c1C#N	ZINC001226221605	775741490	/nfs/dbraw/zinc/74/14/90/775741490.db2.gz	NMBOFDPUYCGAGZ-SNVBAGLBSA-N	-1	0	255.277	2.502	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](c2cccnc2)C2CC2)c1C#N	ZINC001226223475	775742521	/nfs/dbraw/zinc/74/25/21/775742521.db2.gz	QBSQQBWKYAWKPR-OAHLLOKOSA-N	-1	0	281.315	2.892	20	30		CFEDRM
C#C[C@H](Oc1[nH]c(=O)ncc1C(C)=O)[C@@H](CC)CCCC	ZINC001226237805	775747617	/nfs/dbraw/zinc/74/76/17/775747617.db2.gz	NMDQKJXRECQZFI-JSGCOSHPSA-N	-1	0	290.363	2.982	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346889	775786647	/nfs/dbraw/zinc/78/66/47/775786647.db2.gz	MXDXNXOMJRTOLJ-SSDOTTSWSA-N	-1	0	260.215	2.711	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2F)O1	ZINC001226423080	775816696	/nfs/dbraw/zinc/81/66/96/775816696.db2.gz	DNOBSBJIGHWQME-BMIGLBTASA-N	-1	0	296.342	2.911	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556388	775873496	/nfs/dbraw/zinc/87/34/96/775873496.db2.gz	MJVUBGGVPXBFGU-MRVPVSSYSA-N	-1	0	277.711	2.565	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1nc[n-]c(=O)c1Br	ZINC001226722115	775938642	/nfs/dbraw/zinc/93/86/42/775938642.db2.gz	OJZQBBLFLKJVOF-MRVPVSSYSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226781400	775961513	/nfs/dbraw/zinc/96/15/13/775961513.db2.gz	GHFNRSLLCCKAOO-ZCFIWIBFSA-N	-1	0	284.410	2.507	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227072145	776083905	/nfs/dbraw/zinc/08/39/05/776083905.db2.gz	BCGCVOFCGBSBRN-SECBINFHSA-N	-1	0	262.313	2.572	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227112361	776103299	/nfs/dbraw/zinc/10/32/99/776103299.db2.gz	ZZKHWXVMKHRGOY-SECBINFHSA-N	-1	0	254.717	2.715	20	30		CFEDRM
N#Cc1cnccc1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222403449	776135814	/nfs/dbraw/zinc/13/58/14/776135814.db2.gz	RASJSLFQVRKYDE-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
CCOC(=O)C(F)(F)[C@@H](CC)Oc1cc(C#N)ccc1O	ZINC001227345580	776180027	/nfs/dbraw/zinc/18/00/27/776180027.db2.gz	OIEFAARPBRIGKT-GFCCVEGCSA-N	-1	0	299.273	2.620	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=S)nnc2C)O1	ZINC001227598166	776237722	/nfs/dbraw/zinc/23/77/22/776237722.db2.gz	GTVHFXLHYAAQQE-IINYFYTJSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601589	776239483	/nfs/dbraw/zinc/23/94/83/776239483.db2.gz	CCPWAENXIHZQCP-NKWVEPMBSA-N	-1	0	273.119	2.670	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1C#N	ZINC001227609581	776241110	/nfs/dbraw/zinc/24/11/10/776241110.db2.gz	HSWGOVMRYWPPQN-QMMMGPOBSA-N	-1	0	298.327	2.804	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227625027	776248295	/nfs/dbraw/zinc/24/82/95/776248295.db2.gz	MSAXFHZFFXMOGW-MRVPVSSYSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715812	776268474	/nfs/dbraw/zinc/26/84/74/776268474.db2.gz	HAHGAAUXUMMMHY-DTWKUNHWSA-N	-1	0	250.298	2.507	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000125575092	776360088	/nfs/dbraw/zinc/36/00/88/776360088.db2.gz	ARTLEOOFHNLVRA-AWEZNQCLSA-N	-1	0	290.338	2.845	20	30		CFEDRM
C=C[C@H](CCCCCCC)Oc1nnc(C(=O)OC)[n-]1	ZINC001228311739	776454313	/nfs/dbraw/zinc/45/43/13/776454313.db2.gz	OANZPVCSXZIPBO-LLVKDONJSA-N	-1	0	281.356	2.885	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228480845	776504089	/nfs/dbraw/zinc/50/40/89/776504089.db2.gz	PZEBDAKTHCSBLH-NSHDSACASA-N	-1	0	260.680	2.589	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-]	ZINC001228609283	776538352	/nfs/dbraw/zinc/53/83/52/776538352.db2.gz	CGERWYFPYBXCJJ-JTQLQIEISA-N	-1	0	291.307	2.539	20	30		CFEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)cn1	ZINC001228901578	776651605	/nfs/dbraw/zinc/65/16/05/776651605.db2.gz	MXSVLJMOBWZCFB-SNVBAGLBSA-N	-1	0	255.277	2.502	20	30		CFEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911078	776654490	/nfs/dbraw/zinc/65/44/90/776654490.db2.gz	AAOXLEPJAODFQN-SSDOTTSWSA-N	-1	0	250.685	2.942	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973808	776674009	/nfs/dbraw/zinc/67/40/09/776674009.db2.gz	MONCFLURFPYENL-SNVBAGLBSA-N	-1	0	265.265	2.577	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229408859	776803943	/nfs/dbraw/zinc/80/39/43/776803943.db2.gz	YXCSKNIIZOVUFI-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229409002	776805250	/nfs/dbraw/zinc/80/52/50/776805250.db2.gz	ZAIJMPQGBISGQH-YPMHNXCESA-N	-1	0	268.316	2.825	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229408991	776805267	/nfs/dbraw/zinc/80/52/67/776805267.db2.gz	ZAIJMPQGBISGQH-DGCLKSJQSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C=C[C@@H](C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230885620	777082399	/nfs/dbraw/zinc/08/23/99/777082399.db2.gz	MFKOSRKWDWNAJK-SSDOTTSWSA-N	-1	0	250.685	2.942	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888385	777083380	/nfs/dbraw/zinc/08/33/80/777083380.db2.gz	LOLJVFNMZLHFLL-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cc(C)ccc21)C(C)C	ZINC001230889027	777083520	/nfs/dbraw/zinc/08/35/20/777083520.db2.gz	RIVDTFMBKKQXSJ-ZDUSSCGKSA-N	-1	0	256.305	2.680	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231073127	777132329	/nfs/dbraw/zinc/13/23/29/777132329.db2.gz	FUBDMZYQSXTVQU-JTQLQIEISA-N	-1	0	274.295	2.901	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(C)C	ZINC001231265116	777180953	/nfs/dbraw/zinc/18/09/53/777180953.db2.gz	YMWDWYFHSKXWTJ-NSHDSACASA-N	-1	0	266.297	2.983	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231347438	777197452	/nfs/dbraw/zinc/19/74/52/777197452.db2.gz	LBVOKVSFVHBZLI-ZYHUDNBSSA-N	-1	0	284.315	2.525	20	30		CFEDRM
CCCCN(CC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC001231461446	777227222	/nfs/dbraw/zinc/22/72/22/777227222.db2.gz	VLVYJKJZOQCYNG-UHFFFAOYSA-N	-1	0	264.300	2.650	20	30		CFEDRM
C#C[C@@](C)(CC)Nc1ncc(Cl)cc1C(=O)[O-]	ZINC000711756036	777233651	/nfs/dbraw/zinc/23/36/51/777233651.db2.gz	LUDQHAYZLUKNFY-LBPRGKRZSA-N	-1	0	252.701	2.647	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(C)C	ZINC001226007798	777375478	/nfs/dbraw/zinc/37/54/78/777375478.db2.gz	AASOUOQMWCJRKI-LLVKDONJSA-N	-1	0	250.273	2.777	20	30		CFEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCOc3ccccc3C2)c1	ZINC001232679223	777640976	/nfs/dbraw/zinc/64/09/76/777640976.db2.gz	HETASMPMORPFPB-UHFFFAOYSA-N	-1	0	280.327	2.658	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227271140	777799376	/nfs/dbraw/zinc/79/93/76/777799376.db2.gz	QSJLWKIZFCVXBS-SNVBAGLBSA-N	-1	0	259.309	2.624	20	30		CFEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2ncsc21	ZINC001227607956	777858509	/nfs/dbraw/zinc/85/85/09/777858509.db2.gz	OOEFAASEQAXJBT-UHFFFAOYSA-N	-1	0	263.322	2.692	20	30		CFEDRM
COC(=O)c1ccc(O[C@@H](C)C2=CC=C[CH]2)c(C#N)c1	ZINC001233631748	778018186	/nfs/dbraw/zinc/01/81/86/778018186.db2.gz	IXVJBNPTDJYQCP-NSHDSACASA-N	-1	0	268.292	2.813	20	30		CFEDRM
CC#C[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234046202	778151628	/nfs/dbraw/zinc/15/16/28/778151628.db2.gz	ZMMVNFCTHWCUCA-SNVBAGLBSA-N	-1	0	272.304	2.530	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)ccc1C#N	ZINC001228900423	778206647	/nfs/dbraw/zinc/20/66/47/778206647.db2.gz	FRTVFVMXDSDFIP-QMMMGPOBSA-N	-1	0	252.339	2.525	20	30		CFEDRM
N#CCN1CC[C@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234426092	778224367	/nfs/dbraw/zinc/22/43/67/778224367.db2.gz	YYLKRXZSMGGUDP-JTQLQIEISA-N	-1	0	291.401	2.562	20	30		CFEDRM
C[C@H](Oc1[nH]c(=O)nc2cccc(C#N)c21)C1=CC=C[CH]1	ZINC001234513463	778241406	/nfs/dbraw/zinc/24/14/06/778241406.db2.gz	LLCVEGUJWDXNDO-JTQLQIEISA-N	-1	0	278.291	2.675	20	30		CFEDRM
C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511601	778241417	/nfs/dbraw/zinc/24/14/17/778241417.db2.gz	RSOAIJXIHSJLNE-JOYOIKCWSA-N	-1	0	269.304	2.774	20	30		CFEDRM
C#C[C@H](CC)Oc1nc[nH]c(=O)c1-c1ccccc1	ZINC001234690457	778289378	/nfs/dbraw/zinc/28/93/78/778289378.db2.gz	BTHFBRHCDGEKRK-GFCCVEGCSA-N	-1	0	254.289	2.640	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817554	778300182	/nfs/dbraw/zinc/30/01/82/778300182.db2.gz	DKBDXWNCLADVJU-FZMZJTMJSA-N	-1	0	284.311	2.988	20	30		CFEDRM
COc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1CC#N	ZINC001235269455	778440220	/nfs/dbraw/zinc/44/02/20/778440220.db2.gz	KZAZQPUNCCHXEK-RUDMXATFSA-N	-1	0	294.310	2.921	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(/C=C/C(=O)[O-])cc3)cn12	ZINC001235621434	778523105	/nfs/dbraw/zinc/52/31/05/778523105.db2.gz	APTVKAMHMWOIBH-FPYGCLRLSA-N	-1	0	289.294	2.971	20	30		CFEDRM
N#CCc1ncccc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235623590	778524649	/nfs/dbraw/zinc/52/46/49/778524649.db2.gz	RMMPCUTVWCSUHG-VMPITWQZSA-N	-1	0	264.284	2.912	20	30		CFEDRM
Cc1cnc(-c2c(F)cc(F)c([O-])c2F)c(/C=N/O)c1	ZINC001235991773	778643765	/nfs/dbraw/zinc/64/37/65/778643765.db2.gz	XLLAVIKFIOOTIO-BLLMUTORSA-N	-1	0	282.221	2.988	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1ccncc1Cl	ZINC001212147667	778748730	/nfs/dbraw/zinc/74/87/30/778748730.db2.gz	FXCDTHHENGDLQI-UHFFFAOYSA-N	-1	0	251.698	2.539	20	30		CFEDRM
COc1ccc(CN2CCCC[C@H]2C#N)c([O-])c1Cl	ZINC001236812260	778950107	/nfs/dbraw/zinc/95/01/07/778950107.db2.gz	UJPDLUDEOUZDLX-NSHDSACASA-N	-1	0	280.755	2.932	20	30		CFEDRM
Cc1cccc(C)c1NCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176402926	779124712	/nfs/dbraw/zinc/12/47/12/779124712.db2.gz	BHAOVXXVCORYHZ-UHFFFAOYSA-N	-1	0	295.342	2.931	20	30		CFEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237523893	779126075	/nfs/dbraw/zinc/12/60/75/779126075.db2.gz	VYRUQTQLYINIFM-YUMQZZPRSA-N	-1	0	290.125	2.530	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238153391	779260340	/nfs/dbraw/zinc/26/03/40/779260340.db2.gz	BQYZNCJQIMNMFO-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239244730	779482869	/nfs/dbraw/zinc/48/28/69/779482869.db2.gz	DCHMQRVOHWTDKZ-UHFFFAOYSA-N	-1	0	289.291	2.574	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])cc3F)c12	ZINC001239262499	779490668	/nfs/dbraw/zinc/49/06/68/779490668.db2.gz	URWUAXXCQAJZDZ-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239336572	779527923	/nfs/dbraw/zinc/52/79/23/779527923.db2.gz	GOQTVFGDRUWYKS-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
N#CCc1ccnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239337615	779528640	/nfs/dbraw/zinc/52/86/40/779528640.db2.gz	WATPGERKSMHQFM-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1F	ZINC001240160807	779979399	/nfs/dbraw/zinc/97/93/99/779979399.db2.gz	MDKSOUVPFNBWRS-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1nc(-c2cccc(C=CC(=O)[O-])c2)cc2nc[nH]c21	ZINC001240545443	780239798	/nfs/dbraw/zinc/23/97/98/780239798.db2.gz	ASNNGTDUTAOPDP-SNAWJCMRSA-N	-1	0	290.282	2.594	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccccc1C=NO	ZINC001240738857	780405502	/nfs/dbraw/zinc/40/55/02/780405502.db2.gz	ZOWBYRDXIKESHL-UHFFFAOYSA-N	-1	0	271.272	2.869	20	30		CFEDRM
COc1cc(-c2ncc(C#N)cc2C)ccc1C(=O)[O-]	ZINC001240741546	780406756	/nfs/dbraw/zinc/40/67/56/780406756.db2.gz	FVVVYJZVUCDZLD-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])s2)c(/C=N/O)c1	ZINC001240843053	780470095	/nfs/dbraw/zinc/47/00/95/780470095.db2.gz	CSOIKJOQJIEJJR-MKMNVTDBSA-N	-1	0	262.290	2.625	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(CC(=O)[O-])cc3)cc12	ZINC001240975828	780564233	/nfs/dbraw/zinc/56/42/33/780564233.db2.gz	KNKZRCWCRHFRGA-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3ccc(CC(=O)[O-])cc3)cc12	ZINC001240975671	780564866	/nfs/dbraw/zinc/56/48/66/780564866.db2.gz	WPTZAVDMCHQTTL-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
N#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(O)c1	ZINC001212515450	780624581	/nfs/dbraw/zinc/62/45/81/780624581.db2.gz	XGQAQEVDRZVVRD-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001241182092	780687070	/nfs/dbraw/zinc/68/70/70/780687070.db2.gz	MFRMXUCHKJOHMU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1	ZINC001241182752	780687349	/nfs/dbraw/zinc/68/73/49/780687349.db2.gz	XVDKKERQRLTDJM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])c(F)c1)CCC2	ZINC001241185068	780689960	/nfs/dbraw/zinc/68/99/60/780689960.db2.gz	LGDYQFBYBZZUCL-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(F)c(C(=O)[O-])c1)CCC2	ZINC001241245549	780730065	/nfs/dbraw/zinc/73/00/65/780730065.db2.gz	VBKNNKQKDAELGY-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001241245565	780730126	/nfs/dbraw/zinc/73/01/26/780730126.db2.gz	VWKFHTDKCPDVFI-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)cnc1C#N	ZINC001241346385	780800281	/nfs/dbraw/zinc/80/02/81/780800281.db2.gz	AHWKAKFAAOMYEN-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)c(C#N)c1	ZINC001241359813	780810123	/nfs/dbraw/zinc/81/01/23/780810123.db2.gz	RYEKJRKZSNIMKS-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
C=CC(C)(C)CCNS(=O)(=O)c1cccnc1Cl	ZINC000701868319	780846753	/nfs/dbraw/zinc/84/67/53/780846753.db2.gz	UIWLJXZNJUMLPO-UHFFFAOYSA-N	-1	0	288.800	2.616	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(C(F)(F)F)c1	ZINC000703286388	781003720	/nfs/dbraw/zinc/00/37/20/781003720.db2.gz	VEFINFQAGVVHEG-UHFFFAOYSA-N	-1	0	279.283	2.840	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000703718847	781049014	/nfs/dbraw/zinc/04/90/14/781049014.db2.gz	YYQRWRBJWNJLQL-AWEZNQCLSA-N	-1	0	270.373	2.606	20	30		CFEDRM
N#Cc1c2ccccc2cnc1-c1cncc(C(=O)[O-])c1	ZINC001241799910	781131483	/nfs/dbraw/zinc/13/14/83/781131483.db2.gz	GQGKXRVPFBICDZ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#CCc1cc(-c2cncc(C(=O)[O-])c2)ccc1F	ZINC001241803127	781134361	/nfs/dbraw/zinc/13/43/61/781134361.db2.gz	NJWZFNJOVMKGMY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cncc(C(=O)[O-])c1)CCCC2	ZINC001241803818	781135388	/nfs/dbraw/zinc/13/53/88/781135388.db2.gz	VZBCNHHJCZGGTK-UHFFFAOYSA-N	-1	0	279.299	2.592	20	30		CFEDRM
Cc1ccnc(-c2cc(F)cc(C(=O)[O-])c2)c1C#N	ZINC001241812126	781139507	/nfs/dbraw/zinc/13/95/07/781139507.db2.gz	COYRAKNBZDQENZ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2nc(C)c(C)cc2C#N)cc1C(=O)[O-]	ZINC001241854249	781154883	/nfs/dbraw/zinc/15/48/83/781154883.db2.gz	AZVMPHSIBBRKJD-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1ccc(F)cc1[O-]	ZINC001242216677	781332463	/nfs/dbraw/zinc/33/24/63/781332463.db2.gz	XETPTBNWSQMOKT-UHFFFAOYSA-N	-1	0	288.278	2.756	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])nc2)c2ccccc12	ZINC001242333032	781403887	/nfs/dbraw/zinc/40/38/87/781403887.db2.gz	DIUAQMXWXFVNQR-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1cc2ccccc2nc1-c1ccc(C(=O)[O-])nc1	ZINC001242332897	781404034	/nfs/dbraw/zinc/40/40/34/781404034.db2.gz	CEAXQKZDEPMMEF-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COc1ccc(-c2cccc(F)c2[O-])nc1CC#N	ZINC001242350104	781422744	/nfs/dbraw/zinc/42/27/44/781422744.db2.gz	HVNAOEXROURIKQ-UHFFFAOYSA-N	-1	0	258.252	2.668	20	30		CFEDRM
COc1cc(C#N)nc(-c2cccc(Cl)c2[O-])c1	ZINC001242364048	781437564	/nfs/dbraw/zinc/43/75/64/781437564.db2.gz	SJADCELBRJGZAU-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242377548	781445665	/nfs/dbraw/zinc/44/56/65/781445665.db2.gz	AJOVGRGGXWFQGM-UHFFFAOYSA-N	-1	0	288.278	2.854	20	30		CFEDRM
CC#Cc1cncc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242379878	781449510	/nfs/dbraw/zinc/44/95/10/781449510.db2.gz	QXLAFNMWEOETCE-UHFFFAOYSA-N	-1	0	255.248	2.957	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3cccc(C(=O)[O-])c3F)c12	ZINC001242380862	781450234	/nfs/dbraw/zinc/45/02/34/781450234.db2.gz	WLUAEZHIVYOENX-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
Cc1cc(NC2CC2)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562157	781599692	/nfs/dbraw/zinc/59/96/92/781599692.db2.gz	JAHLMAPETBPRHY-UHFFFAOYSA-N	-1	0	266.304	2.604	20	30		CFEDRM
N#Cc1cc(-c2nccc(NCC3CC3)n2)ccc1[O-]	ZINC001242562423	781600551	/nfs/dbraw/zinc/60/05/51/781600551.db2.gz	XQZYFWKZRMZONR-UHFFFAOYSA-N	-1	0	266.304	2.543	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)cn1	ZINC001242920968	781841847	/nfs/dbraw/zinc/84/18/47/781841847.db2.gz	KVZIGLYUMKXIKZ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nccc(C)c1C#N	ZINC001242921677	781843789	/nfs/dbraw/zinc/84/37/89/781843789.db2.gz	XQDKYURZIFYUJG-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cccnc1CC#N	ZINC001242923643	781845674	/nfs/dbraw/zinc/84/56/74/781845674.db2.gz	FDXQXSCOULCDBN-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NC[C@@H](C(=O)[O-])C(C)C	ZINC000594541083	349444121	/nfs/dbraw/zinc/44/41/21/349444121.db2.gz	OTRYLJOVZOKELI-CQSZACIVSA-N	-1	0	297.358	2.606	20	30		CFEDRM
CC(C)C[C@H](CNC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595281654	349590061	/nfs/dbraw/zinc/59/00/61/349590061.db2.gz	QBYXIUPTELNVHL-CYBMUJFWSA-N	-1	0	294.395	2.714	20	30		CFEDRM
N#Cc1ccc(NC[C@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000595977984	349773777	/nfs/dbraw/zinc/77/37/77/349773777.db2.gz	RCOWZCQWWXGEGK-NSHDSACASA-N	-1	0	262.284	2.610	20	30		CFEDRM
N#CC1(CNc2cccc(C(=O)[O-])n2)CCCCC1	ZINC000595972881	349773887	/nfs/dbraw/zinc/77/38/87/349773887.db2.gz	AHOGGIVHZGXVHV-UHFFFAOYSA-N	-1	0	259.309	2.666	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)OC	ZINC000596249663	349840679	/nfs/dbraw/zinc/84/06/79/349840679.db2.gz	JQFREQIZFROXJM-VXNVDRBHSA-N	-1	0	273.789	2.563	20	30		CFEDRM
C=CC[C@H]1N(C(=O)C2CC(C(=O)[O-])C2)CCCC1(C)C	ZINC000668320847	539422994	/nfs/dbraw/zinc/42/29/94/539422994.db2.gz	IMICQQSVBKANDM-WXRRBKDZSA-N	-1	0	279.380	2.691	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(C3CC3)s2)CCCCC1	ZINC000596500004	349921818	/nfs/dbraw/zinc/92/18/18/349921818.db2.gz	XUWWMRQQLYCNSJ-UHFFFAOYSA-N	-1	0	262.382	2.723	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(F)F)c1F	ZINC000528919982	383677677	/nfs/dbraw/zinc/67/76/77/383677677.db2.gz	OEJGWXMGTWNRMI-SNVBAGLBSA-N	-1	0	298.264	2.610	20	30		CFEDRM
CCc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1	ZINC000008105844	346222434	/nfs/dbraw/zinc/22/24/34/346222434.db2.gz	GGMFUINFKCDYKV-UHFFFAOYSA-N	-1	0	286.356	2.921	20	30		CFEDRM
CCCN(CC(=O)[O-])c1cccc(Cl)c1C#N	ZINC000052903240	346532588	/nfs/dbraw/zinc/53/25/88/346532588.db2.gz	XQPVPXDWHRDSOR-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1c([O-])cc(F)cc1F	ZINC000066042784	346747044	/nfs/dbraw/zinc/74/70/44/346747044.db2.gz	QNTCWGVCMWTYBF-UHFFFAOYSA-N	-1	0	255.264	2.709	20	30		CFEDRM
C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000076761066	347152007	/nfs/dbraw/zinc/15/20/07/347152007.db2.gz	QDYXGNRNGWCBBY-WDEREUQCSA-N	-1	0	282.365	2.553	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(Cl)c2[O-])CCC1	ZINC000077012711	347164259	/nfs/dbraw/zinc/16/42/59/347164259.db2.gz	TZJPGWAMXLLFCB-UHFFFAOYSA-N	-1	0	250.685	2.678	20	30		CFEDRM
CC(C)C[C@H](CNc1ncccc1C#N)CC(=O)[O-]	ZINC000088274513	347500828	/nfs/dbraw/zinc/50/08/28/347500828.db2.gz	PZPZRYUUJDQSOJ-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
Cc1ccc(C#N)c(NC[C@H](CC(=O)[O-])CC(C)C)n1	ZINC000088274060	347500961	/nfs/dbraw/zinc/50/09/61/347500961.db2.gz	SIFKUGHKRVNQBI-LBPRGKRZSA-N	-1	0	275.352	2.811	20	30		CFEDRM
N#Cc1c(F)cccc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000093396156	347672848	/nfs/dbraw/zinc/67/28/48/347672848.db2.gz	UPRYKFGKDMMFSR-LLVKDONJSA-N	-1	0	276.311	2.779	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCCCC3)c1	ZINC000107892472	347737067	/nfs/dbraw/zinc/73/70/67/347737067.db2.gz	CHKCFMUTNVQVJY-ZDUSSCGKSA-N	-1	0	253.305	2.841	20	30		CFEDRM
Cc1sc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c(C#N)c1C	ZINC000132681629	347886225	/nfs/dbraw/zinc/88/62/25/347886225.db2.gz	KOOBIKCUULPIMV-ZJUUUORDSA-N	-1	0	292.360	2.676	20	30		CFEDRM
N#Cc1cc(F)c(NC2(CC(=O)[O-])CCC2)c(F)c1	ZINC000133572854	347892750	/nfs/dbraw/zinc/89/27/50/347892750.db2.gz	AUDWSSDEXPYERS-UHFFFAOYSA-N	-1	0	266.247	2.646	20	30		CFEDRM
C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000302557681	348374044	/nfs/dbraw/zinc/37/40/44/348374044.db2.gz	XHUKWWVPTOFCSE-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=C(C)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000565033997	348661662	/nfs/dbraw/zinc/66/16/62/348661662.db2.gz	BXQRVWYLJXPIBS-UHFFFAOYSA-N	-1	0	264.281	2.600	20	30		CFEDRM
C[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1cccc(C#N)c1	ZINC000587989008	348764705	/nfs/dbraw/zinc/76/47/05/348764705.db2.gz	YYLNLRFMVBCBDV-SECBINFHSA-N	-1	0	297.343	2.660	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc(O)c(Cl)c2)n1	ZINC000589453870	348833826	/nfs/dbraw/zinc/83/38/26/348833826.db2.gz	DSSZBNBAHASCHS-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cs1	ZINC000588936868	348804918	/nfs/dbraw/zinc/80/49/18/348804918.db2.gz	HLUWERVEBCVQPZ-UHFFFAOYSA-N	-1	0	288.376	2.554	20	30		CFEDRM
Cc1nc([C@H](C)NC(=O)C[C@H]2CCOC2)sc1C(=O)[O-]	ZINC000329577970	539710368	/nfs/dbraw/zinc/71/03/68/539710368.db2.gz	WGAQKCSEKKHHLR-DTWKUNHWSA-N	-1	0	298.364	2.594	20	30		CFEDRM
C=CCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000592976222	349179731	/nfs/dbraw/zinc/17/97/31/349179731.db2.gz	KZZDIWVEVLLMDJ-UHFFFAOYSA-N	-1	0	264.281	2.614	20	30		CFEDRM
N#CCCCCC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000593975145	349343521	/nfs/dbraw/zinc/34/35/21/349343521.db2.gz	NHHCJJISRCZVFQ-UHFFFAOYSA-N	-1	0	292.389	2.711	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1	ZINC000597994441	350175708	/nfs/dbraw/zinc/17/57/08/350175708.db2.gz	HYQICMLHBKMLNQ-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000598424034	350267571	/nfs/dbraw/zinc/26/75/71/350267571.db2.gz	ZXFKONUNCPBJAK-TXEJJXNPSA-N	-1	0	288.303	2.624	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000598522336	350279849	/nfs/dbraw/zinc/27/98/49/350279849.db2.gz	OFUSLPQMBMHZAK-UHFFFAOYSA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000598522035	350279929	/nfs/dbraw/zinc/27/99/29/350279929.db2.gz	NGRIFQULKPEXGA-UHFFFAOYSA-N	-1	0	278.308	2.775	20	30		CFEDRM
CC(C)(CC#N)CN=c1[n-]c(-c2ccc(F)cc2)no1	ZINC000599088657	350374415	/nfs/dbraw/zinc/37/44/15/350374415.db2.gz	SBRVMFPVFIHFAH-UHFFFAOYSA-N	-1	0	274.299	2.649	20	30		CFEDRM
CCC(F)(F)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000599149793	350385618	/nfs/dbraw/zinc/38/56/18/350385618.db2.gz	QHTAXEMZJXRZFL-UHFFFAOYSA-N	-1	0	251.689	2.547	20	30		CFEDRM
N#C[C@H](Sc1n[n-]c(=NCc2ccco2)s1)C1CC1	ZINC000601073926	350658839	/nfs/dbraw/zinc/65/88/39/350658839.db2.gz	IDAMFCFDWHLTKL-JTQLQIEISA-N	-1	0	292.389	2.559	20	30		CFEDRM
CC[C@@H](C)c1cc(=O)n(Cc2ccc(C#N)cc2)[n-]1	ZINC000601947918	350815617	/nfs/dbraw/zinc/81/56/17/350815617.db2.gz	UXYRNVCGEBWWIB-LLVKDONJSA-N	-1	0	255.321	2.693	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601933346	350806864	/nfs/dbraw/zinc/80/68/64/350806864.db2.gz	XIWGEWZYBJQNFJ-GXFFZTMASA-N	-1	0	253.305	2.697	20	30		CFEDRM
Cc1[n-]n(Cc2cccc(C)c2)c(=O)c1CCC#N	ZINC000601937355	350809331	/nfs/dbraw/zinc/80/93/31/350809331.db2.gz	AIHXXXCYCCAIHG-CQSZACIVSA-N	-1	0	255.321	2.633	20	30		CFEDRM
C[C@H](CC#N)n1[n-]c(-c2c(F)cccc2Cl)cc1=O	ZINC000601937082	350809545	/nfs/dbraw/zinc/80/95/45/350809545.db2.gz	YNGUNMVXGAZTMI-MRVPVSSYSA-N	-1	0	279.702	2.718	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)CCCCCC3)o1	ZINC000601941573	350811455	/nfs/dbraw/zinc/81/14/55/350811455.db2.gz	XGPYYROPHYDUGR-JTQLQIEISA-N	-1	0	272.308	2.528	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(CC#N)c1	ZINC000601995803	350825874	/nfs/dbraw/zinc/82/58/74/350825874.db2.gz	VFRAWAQKLCFZAX-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(CC#N)c1	ZINC000601996856	350825903	/nfs/dbraw/zinc/82/59/03/350825903.db2.gz	YIXJAWMUSVUKGM-UHFFFAOYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
Cc1[n-]n(-c2ncccc2C(F)(F)F)c(=O)c1CCC#N	ZINC000603921274	351191991	/nfs/dbraw/zinc/19/19/91/351191991.db2.gz	OLYWKKNTOONJKO-SECBINFHSA-N	-1	0	296.252	2.743	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000607009980	351309665	/nfs/dbraw/zinc/30/96/65/351309665.db2.gz	XCNLIAMACWMIOV-JTQLQIEISA-N	-1	0	294.314	2.614	20	30		CFEDRM
CC[C@H](C)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000124094640	187122440	/nfs/dbraw/zinc/12/24/40/187122440.db2.gz	UDGSNNTYOROZEB-VIFPVBQESA-N	-1	0	276.365	2.586	20	30		CFEDRM
C[C@@H](CCC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000123378673	187088555	/nfs/dbraw/zinc/08/85/55/187088555.db2.gz	VWQYHLRBDVLSHM-NSHDSACASA-N	-1	0	293.330	2.675	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(-c2ccco2)s1	ZINC000291948869	198114670	/nfs/dbraw/zinc/11/46/70/198114670.db2.gz	ZLEZAXIDMHRIKN-UHFFFAOYSA-N	-1	0	299.377	2.506	20	30		CFEDRM
CC(C)(C)c1[n-]n(CC(F)F)c(=O)c1CCC#N	ZINC000613328366	351940521	/nfs/dbraw/zinc/94/05/21/351940521.db2.gz	WTPCXVZZPOHKJJ-UHFFFAOYSA-N	-1	0	257.284	2.607	20	30		CFEDRM
CCC[C@H]1SCCN1C(=O)c1cc(O)cc(C#N)c1	ZINC000614370042	352086105	/nfs/dbraw/zinc/08/61/05/352086105.db2.gz	YJXWNHFXJDNJGX-CYBMUJFWSA-N	-1	0	276.361	2.579	20	30		CFEDRM
C=CCC1(NC(=O)c2ccc3oc(=O)nc-3[n-]2)CCCC1	ZINC000619110172	352955538	/nfs/dbraw/zinc/95/55/38/352955538.db2.gz	FBHSNHMXACJRTB-UHFFFAOYSA-N	-1	0	287.319	2.547	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc(=O)[nH]c(C2CC2)n1	ZINC000620856867	353241183	/nfs/dbraw/zinc/24/11/83/353241183.db2.gz	CZEWWDXQEXNWIF-UHFFFAOYSA-N	-1	0	275.352	2.534	20	30		CFEDRM
C=CCC1(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)CCC1	ZINC000621612264	353384047	/nfs/dbraw/zinc/38/40/47/353384047.db2.gz	WVWOXWMFFTVYOM-SECBINFHSA-N	-1	0	294.376	2.765	20	30		CFEDRM
C=CCC1(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CCC1	ZINC000621617107	353384665	/nfs/dbraw/zinc/38/46/65/353384665.db2.gz	LSUBSTPTEVAFKM-CXAGYDPISA-N	-1	0	291.391	2.836	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000626773046	354321498	/nfs/dbraw/zinc/32/14/98/354321498.db2.gz	MQBIIHUWMSITDK-KBPBESRZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000629772845	354927898	/nfs/dbraw/zinc/92/78/98/354927898.db2.gz	YEKZPKCPAZAFQU-DZGCQCFKSA-N	-1	0	289.375	2.794	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000630229559	355030505	/nfs/dbraw/zinc/03/05/05/355030505.db2.gz	RTIUTDFHMQPSJT-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1	ZINC000630231294	355030975	/nfs/dbraw/zinc/03/09/75/355030975.db2.gz	ZADORPDVILPDOY-CQSZACIVSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21	ZINC000630287569	355038209	/nfs/dbraw/zinc/03/82/09/355038209.db2.gz	ZIFKTPLLXMZFQQ-XUXIUFHCSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CCN(C(=O)C[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000630288319	355038961	/nfs/dbraw/zinc/03/89/61/355038961.db2.gz	JQEONLCGOAOEOC-GFCCVEGCSA-N	-1	0	261.321	2.707	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630180510	355023686	/nfs/dbraw/zinc/02/36/86/355023686.db2.gz	BQRAYHZEJWOTMK-JTQLQIEISA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc(C(=O)[O-])c1	ZINC000630203721	355027832	/nfs/dbraw/zinc/02/78/32/355027832.db2.gz	DLIOLTQQDONCDC-BXUZGUMPSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000630314541	355048957	/nfs/dbraw/zinc/04/89/57/355048957.db2.gz	TYVPOMKUCOQITA-UHFFFAOYSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)[O-]	ZINC000630325070	355052500	/nfs/dbraw/zinc/05/25/00/355052500.db2.gz	GZPINSDISXMSNS-YVZNUBBCSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000630330766	355053731	/nfs/dbraw/zinc/05/37/31/355053731.db2.gz	DYDSPSGPTFNANT-JTQLQIEISA-N	-1	0	293.367	2.515	20	30		CFEDRM
C=CCOc1cccc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)c1	ZINC000630959388	355230485	/nfs/dbraw/zinc/23/04/85/355230485.db2.gz	GWBZCRWOSJPJJQ-RISCZKNCSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000180769692	189274282	/nfs/dbraw/zinc/27/42/82/189274282.db2.gz	HQRCIHHHNADOGW-UHFFFAOYSA-N	-1	0	250.254	2.595	20	30		CFEDRM
C=C(C)CN(C)C(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000135286016	541242511	/nfs/dbraw/zinc/24/25/11/541242511.db2.gz	YDESWGSVCYCIBG-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(C(F)(F)F)s2)ccc1C#N	ZINC000446945915	241341567	/nfs/dbraw/zinc/34/15/67/241341567.db2.gz	LMXALSDMLRQPJR-UHFFFAOYSA-N	-1	0	298.293	2.771	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000003532643	371806179	/nfs/dbraw/zinc/80/61/79/371806179.db2.gz	CYSTWKCDKSAIGF-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCCCCCC(=O)[O-]	ZINC000019479304	372168785	/nfs/dbraw/zinc/16/87/85/372168785.db2.gz	CWWOKIRYNBALGL-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)CCC(=O)[O-]	ZINC000037827709	372722906	/nfs/dbraw/zinc/72/29/06/372722906.db2.gz	UUTMAOSJSYKMOC-UHFFFAOYSA-N	-1	0	287.768	2.781	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000041495813	372844132	/nfs/dbraw/zinc/84/41/32/372844132.db2.gz	OIPNOJUPYLTDGS-SNVBAGLBSA-N	-1	0	265.272	2.954	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)n1	ZINC000041520576	372846387	/nfs/dbraw/zinc/84/63/87/372846387.db2.gz	IOEVZIHWOMVBAP-NSHDSACASA-N	-1	0	287.300	2.850	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)s1	ZINC000042317690	372906403	/nfs/dbraw/zinc/90/64/03/372906403.db2.gz	MZJMWTUMJHJUKO-UHFFFAOYSA-N	-1	0	259.352	2.502	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CC=CCC1	ZINC000046928131	373070633	/nfs/dbraw/zinc/07/06/33/373070633.db2.gz	ZQZKQHYNURSXNA-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21	ZINC000049417767	373294583	/nfs/dbraw/zinc/29/45/83/373294583.db2.gz	RAHRETTWDBRHLP-ZDUSSCGKSA-N	-1	0	281.377	2.801	20	30		CFEDRM
N#Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000049502291	373306115	/nfs/dbraw/zinc/30/61/15/373306115.db2.gz	WDWWERBQJHLAIH-UHFFFAOYSA-N	-1	0	292.360	2.525	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)n1C	ZINC000049514201	373306742	/nfs/dbraw/zinc/30/67/42/373306742.db2.gz	XWZBKEYQAYKKQB-UHFFFAOYSA-N	-1	0	298.408	2.548	20	30		CFEDRM
CC(C)[C@@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000068769379	374038879	/nfs/dbraw/zinc/03/88/79/374038879.db2.gz	QFFCWSSYHUQJDZ-CQSZACIVSA-N	-1	0	269.304	2.628	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000507245874	247170035	/nfs/dbraw/zinc/17/00/35/247170035.db2.gz	FIVJVZMUMLRXGM-UHFFFAOYSA-N	-1	0	297.314	2.804	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000124580376	377064967	/nfs/dbraw/zinc/06/49/67/377064967.db2.gz	UYWCMGOMFLVWIX-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
O=C(NCc1ncccc1O)c1coc(C2CCCC2)n1	ZINC000328774574	378423866	/nfs/dbraw/zinc/42/38/66/378423866.db2.gz	SDCYNCXMYRWZSF-UHFFFAOYSA-N	-1	0	287.319	2.938	20	30		CFEDRM
CC1(C)CCC(CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000161815906	378873651	/nfs/dbraw/zinc/87/36/51/378873651.db2.gz	VBWRKTACVOCRDW-UHFFFAOYSA-N	-1	0	285.351	2.698	20	30		CFEDRM
N#Cc1ccccc1C[S@@](=O)c1cccc(O)c1	ZINC000334277347	379021229	/nfs/dbraw/zinc/02/12/29/379021229.db2.gz	OJFHSJMSVVZMPH-GOSISDBHSA-N	-1	0	257.314	2.572	20	30		CFEDRM
N#Cc1c(Cl)cccc1NCC1(C(=O)[O-])CCOCC1	ZINC000165957664	379047128	/nfs/dbraw/zinc/04/71/28/379047128.db2.gz	QAIANEGWPFXMKH-UHFFFAOYSA-N	-1	0	294.738	2.505	20	30		CFEDRM
CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000336498697	380368730	/nfs/dbraw/zinc/36/87/30/380368730.db2.gz	CCCRCSPDYAKIIC-UHFFFAOYSA-N	-1	0	276.317	2.514	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000179171732	380517718	/nfs/dbraw/zinc/51/77/18/380517718.db2.gz	NFKXARCYGODMKG-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CCC(F)(F)C(=O)N[C@H](CC)COCC(F)(F)F	ZINC000295440363	380857699	/nfs/dbraw/zinc/85/76/99/380857699.db2.gz	OFVYNVOMBZFBCV-MRVPVSSYSA-N	-1	0	289.244	2.672	20	30		CFEDRM
CC[C@@H]1CCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410541874	380982309	/nfs/dbraw/zinc/98/23/09/380982309.db2.gz	PGZWHVYQSFCMPB-DGCLKSJQSA-N	-1	0	274.368	2.522	20	30		CFEDRM
C=C[C@](C)(O)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000279334765	194388382	/nfs/dbraw/zinc/38/83/82/194388382.db2.gz	HRFAETPXBZUKRX-LBPRGKRZSA-N	-1	0	290.146	2.965	20	30		CFEDRM
CC[C@H](C(=O)N=c1[n-]n(C)cc1C#N)C1CCC(C)CC1	ZINC000359311892	381341387	/nfs/dbraw/zinc/34/13/87/381341387.db2.gz	BGLKMSTUCLWJNM-YIZWMMSDSA-N	-1	0	288.395	2.505	20	30		CFEDRM
CC(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)s1	ZINC000184441883	381416830	/nfs/dbraw/zinc/41/68/30/381416830.db2.gz	RJURYUHBNYILPM-UHFFFAOYSA-N	-1	0	285.332	2.590	20	30		CFEDRM
C=C(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000360219423	381771611	/nfs/dbraw/zinc/77/16/11/381771611.db2.gz	CUFNXMYDCUSDIU-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nccc2ccccc21	ZINC000361527982	381840620	/nfs/dbraw/zinc/84/06/20/381840620.db2.gz	UFRFZUKFYDORHP-OAHLLOKOSA-N	-1	0	286.294	2.925	20	30		CFEDRM
CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000361792206	381862505	/nfs/dbraw/zinc/86/25/05/381862505.db2.gz	KPXJCKKGHKDRFB-CQSZACIVSA-N	-1	0	290.326	2.768	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000343773334	381934767	/nfs/dbraw/zinc/93/47/67/381934767.db2.gz	ZFKODOSDBIKJNF-CYBMUJFWSA-N	-1	0	299.374	2.559	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)NCCCCCC(=O)[O-]	ZINC000417772044	382065228	/nfs/dbraw/zinc/06/52/28/382065228.db2.gz	YFGWGGGQKCWQQB-UHFFFAOYSA-N	-1	0	289.335	2.633	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc3[nH]ccc32)cc1[O-]	ZINC000188414611	382409605	/nfs/dbraw/zinc/40/96/05/382409605.db2.gz	MOIGAYJWOFKHAW-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
C=CCCCC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000365822522	382452239	/nfs/dbraw/zinc/45/22/39/382452239.db2.gz	DMAHMTRHWUITOJ-UHFFFAOYSA-N	-1	0	279.390	2.983	20	30		CFEDRM
CCc1c(C)sc([N-]C(=O)c2cc(OC)no2)c1C#N	ZINC000346663670	382461127	/nfs/dbraw/zinc/46/11/27/382461127.db2.gz	PZLCLBWZVOBTFA-UHFFFAOYSA-N	-1	0	291.332	2.740	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000189033122	382528944	/nfs/dbraw/zinc/52/89/44/382528944.db2.gz	ZWZBDNFNVCZMLB-CYBMUJFWSA-N	-1	0	264.281	2.841	20	30		CFEDRM
N#CC(=C([O-])c1cncnc1)c1nc2cc(F)ccc2s1	ZINC000680647347	542347259	/nfs/dbraw/zinc/34/72/59/542347259.db2.gz	NQVOOZLZMZABEA-JTQLQIEISA-N	-1	0	298.302	2.715	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)nc2ccccc12	ZINC000387292197	382597274	/nfs/dbraw/zinc/59/72/74/382597274.db2.gz	ONPVIERZTMYMAV-LBPRGKRZSA-N	-1	0	295.342	2.798	20	30		CFEDRM
Cc1nscc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190970820	382686859	/nfs/dbraw/zinc/68/68/59/382686859.db2.gz	AAMRUXTVWZZEHB-JTQLQIEISA-N	-1	0	294.339	2.885	20	30		CFEDRM
Cc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190886168	382683864	/nfs/dbraw/zinc/68/38/64/382683864.db2.gz	MATNBJGWJXCGEH-ZDUSSCGKSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C=CCn1c(SC[C@@H](C)CC(C)C)n[n-]c1=N	ZINC000337234800	382782097	/nfs/dbraw/zinc/78/20/97/382782097.db2.gz	XIFXYFCHBKQJKJ-JTQLQIEISA-N	-1	0	254.403	2.651	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])o1	ZINC000238031550	382977563	/nfs/dbraw/zinc/97/75/63/382977563.db2.gz	LTBXZWARZITKGR-UHFFFAOYSA-N	-1	0	299.326	2.849	20	30		CFEDRM
C[C@](CC(=O)[O-])(C(=O)NCCCCC#N)C1CCCCC1	ZINC000507457127	383146746	/nfs/dbraw/zinc/14/67/46/383146746.db2.gz	BIQYLZTZFWIBBD-MRXNPFEDSA-N	-1	0	294.395	2.858	20	30		CFEDRM
C=C[C@@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000583849096	383093466	/nfs/dbraw/zinc/09/34/66/383093466.db2.gz	NTBYAZUILZEIDI-ZDUSSCGKSA-N	-1	0	287.359	2.717	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ns1	ZINC000565156415	383176975	/nfs/dbraw/zinc/17/69/75/383176975.db2.gz	ZRLGYWLTVDUIPH-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
COc1ccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])c(C#N)c1	ZINC000514734873	383154684	/nfs/dbraw/zinc/15/46/84/383154684.db2.gz	PCYYLSOSLIUHPF-UHFFFAOYSA-N	-1	0	299.330	2.884	20	30		CFEDRM
CC(C)(C)c1[n-]n(CC[C@H]2CCOC2)c(=O)c1CCC#N	ZINC000516167835	383162263	/nfs/dbraw/zinc/16/22/63/383162263.db2.gz	DLKREHYMDRPRQD-LBPRGKRZSA-N	-1	0	291.395	2.769	20	30		CFEDRM
CC(C)(C)c1[n-]n(CC[C@@H]2CCOC2)c(=O)c1CCC#N	ZINC000516167834	383162543	/nfs/dbraw/zinc/16/25/43/383162543.db2.gz	DLKREHYMDRPRQD-GFCCVEGCSA-N	-1	0	291.395	2.769	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634907009	383399193	/nfs/dbraw/zinc/39/91/93/383399193.db2.gz	CQYPEPGTXCSBDQ-INIZCTEOSA-N	-1	0	293.338	2.593	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc(C(C)C)cs1	ZINC000427790242	383416410	/nfs/dbraw/zinc/41/64/10/383416410.db2.gz	SBIZJBRSQNFRIL-UHFFFAOYSA-N	-1	0	274.411	2.974	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCCC1(C)C	ZINC000634936355	383412048	/nfs/dbraw/zinc/41/20/48/383412048.db2.gz	GXWFNYKQKKJSBW-AGIUHOORSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2cc(F)c(F)cc2C(=O)[O-])C1	ZINC000634938720	383412807	/nfs/dbraw/zinc/41/28/07/383412807.db2.gz	QORNZZSCBUNLRX-VIFPVBQESA-N	-1	0	295.285	2.701	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634838937	383374567	/nfs/dbraw/zinc/37/45/67/383374567.db2.gz	XLLUBJBCPPEDGZ-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)c(F)c1	ZINC000340589771	383481139	/nfs/dbraw/zinc/48/11/39/383481139.db2.gz	KSPSZOCEIGNACT-ONEGZZNKSA-N	-1	0	268.247	2.961	20	30		CFEDRM
CC(=O)c1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000340884031	383498484	/nfs/dbraw/zinc/49/84/84/383498484.db2.gz	UQHQEDSSZYZUII-HNNXBMFYSA-N	-1	0	293.326	2.786	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]nc(-c2ccccn2)s1	ZINC000340907830	383499743	/nfs/dbraw/zinc/49/97/43/383499743.db2.gz	XRLSYGRJXZNEGA-UHFFFAOYSA-N	-1	0	287.392	2.764	20	30		CFEDRM
COc1cc(C)cnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000488156203	383501388	/nfs/dbraw/zinc/50/13/88/383501388.db2.gz	LOSSUSVFDBCQRD-JTQLQIEISA-N	-1	0	287.344	2.654	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)NC(C)(C)CCC(=O)[O-]	ZINC000263017600	383649976	/nfs/dbraw/zinc/64/99/76/383649976.db2.gz	IRAJYBYDAYPKCZ-UHFFFAOYSA-N	-1	0	289.335	2.632	20	30		CFEDRM
C=CCn1c(SCCc2ccccc2CC)n[n-]c1=N	ZINC000435795169	383780180	/nfs/dbraw/zinc/78/01/80/383780180.db2.gz	PKCMRQOBWHLDKO-UHFFFAOYSA-N	-1	0	288.420	2.774	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CN=c1[n-]c(-c2ccc(C)cc2)no1	ZINC000435583077	383776407	/nfs/dbraw/zinc/77/64/07/383776407.db2.gz	HVIIHZUWUDYUJQ-GJZGRUSLSA-N	-1	0	299.374	2.860	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2c(Cl)cccc2C#N)C1	ZINC000263433515	383666070	/nfs/dbraw/zinc/66/60/70/383666070.db2.gz	UKLIAWXHSUBPSX-CYBMUJFWSA-N	-1	0	264.712	2.513	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(C#N)c2)c1	ZINC000436582582	383844523	/nfs/dbraw/zinc/84/45/23/383844523.db2.gz	MBKMZNFBJOXYJH-UHFFFAOYSA-N	-1	0	298.273	2.858	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436648674	383863107	/nfs/dbraw/zinc/86/31/07/383863107.db2.gz	UOROSVMAOHXVHF-UHFFFAOYSA-N	-1	0	291.347	2.906	20	30		CFEDRM
CC(C)c1noc(=N[C@H]2CCCc3cc(C#N)ccc32)[n-]1	ZINC000574142911	384049696	/nfs/dbraw/zinc/04/96/96/384049696.db2.gz	CPABZYQUAIDBFP-AWEZNQCLSA-N	-1	0	282.347	2.976	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000438892435	384028241	/nfs/dbraw/zinc/02/82/41/384028241.db2.gz	FRCYUIHGYMRKDV-LBPRGKRZSA-N	-1	0	299.374	2.835	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C#N)n2)c1	ZINC000643305053	384564282	/nfs/dbraw/zinc/56/42/82/384564282.db2.gz	DCLXTGUYQITYNB-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
C#CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1	ZINC000270106474	384979355	/nfs/dbraw/zinc/97/93/55/384979355.db2.gz	FAYWCGBZCVORTB-OAHLLOKOSA-N	-1	0	299.370	2.902	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(C)C	ZINC000282264872	385264893	/nfs/dbraw/zinc/26/48/93/385264893.db2.gz	WGBYMUMBJQCPPF-LLVKDONJSA-N	-1	0	269.703	2.572	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(F)c1C#N	ZINC000357170736	130408105	/nfs/dbraw/zinc/40/81/05/130408105.db2.gz	LCRQXLIIXVVKFU-GQCTYLIASA-N	-1	0	293.257	2.833	20	30		CFEDRM
CCC(CC)[C@H](C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359712039	130533204	/nfs/dbraw/zinc/53/32/04/130533204.db2.gz	AZRKKPUSUNUPOM-VIFPVBQESA-N	-1	0	274.368	2.591	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262051981	131187625	/nfs/dbraw/zinc/18/76/25/131187625.db2.gz	FSMCBJNTQSBPAI-UONOGXRCSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1	ZINC000262836435	131266272	/nfs/dbraw/zinc/26/62/72/131266272.db2.gz	BTPPKYPCEJDNRW-DZGCQCFKSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000263177388	131284749	/nfs/dbraw/zinc/28/47/49/131284749.db2.gz	WRWANXTZWCMBOH-BXUZGUMPSA-N	-1	0	293.338	2.978	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc1C	ZINC000683689826	542709489	/nfs/dbraw/zinc/70/94/89/542709489.db2.gz	PUJXTCMAVPGEAL-LLVKDONJSA-N	-1	0	286.360	2.657	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2o1	ZINC000171402845	335064792	/nfs/dbraw/zinc/06/47/92/335064792.db2.gz	HDMZBIFBSLIPQV-MRVPVSSYSA-N	-1	0	269.285	2.774	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)NC2CCCCCC2)[n-]n1	ZINC000330015535	393550341	/nfs/dbraw/zinc/55/03/41/393550341.db2.gz	ODIBUOHEQDRGAP-UHFFFAOYSA-N	-1	0	292.383	2.734	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)[n-]1	ZINC000410539953	393629429	/nfs/dbraw/zinc/62/94/29/393629429.db2.gz	LBUODHOHARCRKG-JHJVBQTASA-N	-1	0	288.395	2.768	20	30		CFEDRM
C=C(CC)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000412401512	393767899	/nfs/dbraw/zinc/76/78/99/393767899.db2.gz	GYEKBQUGJDXBDQ-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(N[C@H](C)CC(=O)[O-])c2c1	ZINC000416426242	393918719	/nfs/dbraw/zinc/91/87/19/393918719.db2.gz	LPZIVJPOHTZCRP-LLVKDONJSA-N	-1	0	297.358	2.927	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2nc(C)sc2c1	ZINC000416939033	393946045	/nfs/dbraw/zinc/94/60/45/393946045.db2.gz	GHIDCNXKOHOJGZ-SNVBAGLBSA-N	-1	0	295.389	2.649	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1NCc1cc(C#N)n(C)c1	ZINC000417573706	393977647	/nfs/dbraw/zinc/97/76/47/393977647.db2.gz	XTGMYSLNLUPCBG-UHFFFAOYSA-N	-1	0	283.331	2.824	20	30		CFEDRM
C=CCC[C@H](C(=O)N=c1[nH][n-]c(C)c1C#N)c1ccccc1	ZINC000357242642	394085562	/nfs/dbraw/zinc/08/55/62/394085562.db2.gz	LLMMXNGTLFUIIF-AWEZNQCLSA-N	-1	0	294.358	2.700	20	30		CFEDRM
COc1cc(/C=C/c2ncccc2C#N)cc([N+](=O)[O-])c1[O-]	ZINC000436930983	394036548	/nfs/dbraw/zinc/03/65/48/394036548.db2.gz	ZRZCIGIUMIMYTN-SNAWJCMRSA-N	-1	0	297.270	2.746	20	30		CFEDRM
Cc1ccsc1-c1nc(=NC(=O)CCCC#N)s[n-]1	ZINC000360666923	394158047	/nfs/dbraw/zinc/15/80/47/394158047.db2.gz	SIYGJAODYSAKMO-UHFFFAOYSA-N	-1	0	292.389	2.629	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1	ZINC000137185535	394237515	/nfs/dbraw/zinc/23/75/15/394237515.db2.gz	DCECQCXSHOLXIC-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000685020321	542888442	/nfs/dbraw/zinc/88/84/42/542888442.db2.gz	ZUGZUYWCIORUOV-SJKOYZFVSA-N	-1	0	287.359	2.631	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)nc1	ZINC000557948487	395049804	/nfs/dbraw/zinc/04/98/04/395049804.db2.gz	QKTZMKWMTNQCFA-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc(C2CC2)cs1	ZINC000647380150	395320320	/nfs/dbraw/zinc/32/03/20/395320320.db2.gz	OYUCBUJDOMWHSK-NSHDSACASA-N	-1	0	298.371	2.653	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377706	395320554	/nfs/dbraw/zinc/32/05/54/395320554.db2.gz	FOWZSOJRONZXHL-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CCC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCC1	ZINC000649364088	395478349	/nfs/dbraw/zinc/47/83/49/395478349.db2.gz	KXPFYMKOPHUWCB-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CC[C@@H]1CCCN(c2nc(C(=O)[O-])c(C)s2)C1	ZINC000656784149	413225791	/nfs/dbraw/zinc/22/57/91/413225791.db2.gz	ZBJVZQYBOMPNCO-SNVBAGLBSA-N	-1	0	266.366	2.942	20	30		CFEDRM
C[C@H](CN(C)c1cc(C#N)ccc1C(F)(F)F)C(=O)[O-]	ZINC000263550940	298515970	/nfs/dbraw/zinc/51/59/70/298515970.db2.gz	KVSIPTGQGWHHMR-MRVPVSSYSA-N	-1	0	286.253	2.734	20	30		CFEDRM
CCC(C)(CC)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000349774889	163014192	/nfs/dbraw/zinc/01/41/92/163014192.db2.gz	HHMBBZWEFVMLNH-UHFFFAOYSA-N	-1	0	293.392	2.689	20	30		CFEDRM
COc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1O	ZINC000005733641	170135411	/nfs/dbraw/zinc/13/54/11/170135411.db2.gz	WGVFVBIJKULVHA-QHHAFSJGSA-N	-1	0	286.283	2.708	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000013095008	170531354	/nfs/dbraw/zinc/53/13/54/170531354.db2.gz	QGEPMKFWGRYBHB-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000035411082	172182214	/nfs/dbraw/zinc/18/22/14/172182214.db2.gz	ZCABVVYVIQXQHD-JTQLQIEISA-N	-1	0	272.226	2.852	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000654810417	414003505	/nfs/dbraw/zinc/00/35/05/414003505.db2.gz	OLDVFZMAPQZCRP-MFKMUULPSA-N	-1	0	294.326	2.605	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])n1	ZINC000659166504	414459632	/nfs/dbraw/zinc/45/96/32/414459632.db2.gz	OLSVFALENABNAP-VXGBXAGGSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CC(=O)[O-])c1	ZINC000659229152	414474128	/nfs/dbraw/zinc/47/41/28/414474128.db2.gz	PLMHVUWAJYBDOG-GASCZTMLSA-N	-1	0	285.343	2.637	20	30		CFEDRM
C=C(C)CN(CC)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655906176	414489596	/nfs/dbraw/zinc/48/95/96/414489596.db2.gz	AHOMXJOSXAPBNK-RWMBFGLXSA-N	-1	0	296.411	2.729	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1	ZINC000659409567	414517179	/nfs/dbraw/zinc/51/71/79/414517179.db2.gz	QCZHVROQSZVFNR-KGLIPLIRSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000656486329	414591219	/nfs/dbraw/zinc/59/12/19/414591219.db2.gz	JCHMBWUUZOHXOV-OAHLLOKOSA-N	-1	0	295.766	2.765	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000040215553	174204302	/nfs/dbraw/zinc/20/43/02/174204302.db2.gz	OQECRKJKLUZFNS-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C1	ZINC000663126368	414653886	/nfs/dbraw/zinc/65/38/86/414653886.db2.gz	IIAMYIVGAUKSHI-NWDGAFQWSA-N	-1	0	267.369	2.548	20	30		CFEDRM
O=C(N=c1cn[n-]s1)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330203964	228065450	/nfs/dbraw/zinc/06/54/50/228065450.db2.gz	BFDYTNZMPSWANM-JTQLQIEISA-N	-1	0	296.396	2.746	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1)CCC2	ZINC001240783931	782030892	/nfs/dbraw/zinc/03/08/92/782030892.db2.gz	ZWCILSCYNHAGLV-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000448148677	260959357	/nfs/dbraw/zinc/95/93/57/260959357.db2.gz	RXQALHYCJNOLEU-UHFFFAOYSA-N	-1	0	288.395	2.986	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)n(C2CC2)c1C)C(=O)[O-]	ZINC000448999745	261057339	/nfs/dbraw/zinc/05/73/39/261057339.db2.gz	YZUOGQZDODWBMC-AWEZNQCLSA-N	-1	0	290.363	2.589	20	30		CFEDRM
C#C[C@@H](NC(=O)C(F)(F)CC=C)c1ccc(F)cc1	ZINC000491221360	261376836	/nfs/dbraw/zinc/37/68/36/261376836.db2.gz	VYYQKBPHQYNRNP-GFCCVEGCSA-N	-1	0	267.250	2.828	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001243176392	782037437	/nfs/dbraw/zinc/03/74/37/782037437.db2.gz	AEPQKUGJCZWBEM-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(CC#N)c1	ZINC000262073722	262762302	/nfs/dbraw/zinc/76/23/02/262762302.db2.gz	JCZYHTUILRLGPI-UHFFFAOYSA-N	-1	0	288.347	2.516	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCC2(O)CCC2)c1[O-]	ZINC000284140653	263085857	/nfs/dbraw/zinc/08/58/57/263085857.db2.gz	YSPWMDGGGLLOHT-OVCLIPMQSA-N	-1	0	298.726	2.678	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286954753	263100427	/nfs/dbraw/zinc/10/04/27/263100427.db2.gz	QDVDPICCPDSCFA-UHFFFAOYSA-N	-1	0	256.664	2.673	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2=CCCOC2)c1[O-]	ZINC000287241080	263101348	/nfs/dbraw/zinc/10/13/48/263101348.db2.gz	OUGXFWUMJZPGRL-VIZOYTHASA-N	-1	0	296.710	2.719	20	30		CFEDRM
C[C@@H](C#N)CN(C)Cc1cc(Cl)c(F)cc1[O-]	ZINC000295495439	263178249	/nfs/dbraw/zinc/17/82/49/263178249.db2.gz	XZPIKNSEQZCFAL-QMMMGPOBSA-N	-1	0	256.708	2.776	20	30		CFEDRM
CCC(C)(C)NC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000330728732	264036042	/nfs/dbraw/zinc/03/60/42/264036042.db2.gz	JBMNOSFJNTUYEU-UHFFFAOYSA-N	-1	0	279.365	2.874	20	30		CFEDRM
CCCc1nc(=NC(=O)NCC(C)(C)CC)s[n-]1	ZINC000330828667	264048908	/nfs/dbraw/zinc/04/89/08/264048908.db2.gz	GIMKCUNAXDYTHA-UHFFFAOYSA-N	-1	0	270.402	2.675	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H](C)C2CCCC2)s[n-]1	ZINC000330874978	264059991	/nfs/dbraw/zinc/05/99/91/264059991.db2.gz	ZNFCODHCXBGXSK-VIFPVBQESA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000331269679	264168571	/nfs/dbraw/zinc/16/85/71/264168571.db2.gz	UBNDHWFGNPYAQF-VIFPVBQESA-N	-1	0	282.413	2.938	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@](C)(CCC)C(=O)[O-]	ZINC000518995618	265285406	/nfs/dbraw/zinc/28/54/06/265285406.db2.gz	CWYPFYYRPYDHRY-CQSZACIVSA-N	-1	0	270.373	2.675	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncc(C#N)cc2C)c1	ZINC001243177750	782038597	/nfs/dbraw/zinc/03/85/97/782038597.db2.gz	LXQCQMUBMOEISA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1nc(-c2cc(C)cc(C(=O)[O-])c2)c(F)cc1C#N	ZINC001243177472	782038833	/nfs/dbraw/zinc/03/88/33/782038833.db2.gz	IRARWQXKKIZIEO-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000435777570	268103583	/nfs/dbraw/zinc/10/35/83/268103583.db2.gz	JDOHXJAAYMTJHO-GFCCVEGCSA-N	-1	0	290.282	2.826	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C)nc2C#N)c1	ZINC001243181758	782043172	/nfs/dbraw/zinc/04/31/72/782043172.db2.gz	CYAXSWUIQXUWCB-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000263401714	277781692	/nfs/dbraw/zinc/78/16/92/277781692.db2.gz	FHCSBHXYJCAJQJ-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000271499025	277800430	/nfs/dbraw/zinc/80/04/30/277800430.db2.gz	KUADHITWRRNFHC-ZDUSSCGKSA-N	-1	0	294.307	2.610	20	30		CFEDRM
N#Cc1cccc(/C=C\C(=O)NCc2ccc(O)c(F)c2)c1	ZINC000255766407	281106974	/nfs/dbraw/zinc/10/69/74/281106974.db2.gz	FRAFJBUKPVGCRH-ALCCZGGFSA-N	-1	0	296.301	2.733	20	30		CFEDRM
Cc1ccc(-c2ncc(F)cc2C#N)cc1C(=O)[O-]	ZINC001243193269	782053451	/nfs/dbraw/zinc/05/34/51/782053451.db2.gz	REKMCVNGWQWJGW-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CC(=Cc1scnc1C1CC1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000562461560	290045163	/nfs/dbraw/zinc/04/51/63/290045163.db2.gz	VTAAPDIFHNZFIK-YVMONPNESA-N	-1	0	298.371	2.844	20	30		CFEDRM
COc1ncc(-c2ccc(C)c(C(=O)[O-])c2)cc1C#N	ZINC001243195599	782056902	/nfs/dbraw/zinc/05/69/02/782056902.db2.gz	WBGQZUGSUNKZMZ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2C)cc1C#N	ZINC001243202897	782062623	/nfs/dbraw/zinc/06/26/23/782062623.db2.gz	CYTGVIYRTODFJE-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(C#N)nc(C2CC2)n1	ZINC001243203056	782063079	/nfs/dbraw/zinc/06/30/79/782063079.db2.gz	HMKSLOYRTQPCCA-UHFFFAOYSA-N	-1	0	279.299	2.899	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1CCC(C(=O)[O-])CC1	ZINC000049933844	303174504	/nfs/dbraw/zinc/17/45/04/303174504.db2.gz	ZHLUGKGEHJKJCL-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)cc1C(F)(F)F	ZINC000037115742	303192359	/nfs/dbraw/zinc/19/23/59/303192359.db2.gz	MOVMIBJSRGESOS-UHFFFAOYSA-N	-1	0	298.264	2.878	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	ZINC000330200247	303512370	/nfs/dbraw/zinc/51/23/70/303512370.db2.gz	ABZCTXDFXWVVSM-IVZWLZJFSA-N	-1	0	266.370	2.833	20	30		CFEDRM
N#CC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1	ZINC000184378427	327827162	/nfs/dbraw/zinc/82/71/62/327827162.db2.gz	UHDREIPSJPPAPQ-UHFFFAOYSA-N	-1	0	282.702	2.751	20	30		CFEDRM
N#CC1(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CCC1	ZINC000571461145	328123436	/nfs/dbraw/zinc/12/34/36/328123436.db2.gz	OWTIDHPLRWJBBC-UHFFFAOYSA-N	-1	0	298.264	2.835	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000267491089	328178659	/nfs/dbraw/zinc/17/86/59/328178659.db2.gz	GBBLPJKDYPIYBG-SSDOTTSWSA-N	-1	0	287.146	2.931	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)c(C)o1	ZINC000353420862	328212876	/nfs/dbraw/zinc/21/28/76/328212876.db2.gz	VRXDAPTXLDSKJY-VIFPVBQESA-N	-1	0	275.333	2.800	20	30		CFEDRM
CO[C@H]1COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000290569925	328259541	/nfs/dbraw/zinc/25/95/41/328259541.db2.gz	OHSGNURGVHHREV-YXZYOMLGSA-N	-1	0	290.146	2.532	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1C#N	ZINC000570770179	322549890	/nfs/dbraw/zinc/54/98/90/322549890.db2.gz	IXSOYJDWWKHWNH-UHFFFAOYSA-N	-1	0	270.361	2.630	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCC(C)(C)CCC#N)s1	ZINC000340939226	328402644	/nfs/dbraw/zinc/40/26/44/328402644.db2.gz	MXJSKNQRQKEKGG-UHFFFAOYSA-N	-1	0	266.414	2.999	20	30		CFEDRM
CCc1cccc(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000181139272	323802265	/nfs/dbraw/zinc/80/22/65/323802265.db2.gz	RXBMEGQGJVNRMO-UHFFFAOYSA-N	-1	0	286.356	2.921	20	30		CFEDRM
N#Cc1ccc(C[S@@](=O)c2ccc(O)cc2)cc1F	ZINC000191181827	324046193	/nfs/dbraw/zinc/04/61/93/324046193.db2.gz	CGUQOAXMVKDUNQ-LJQANCHMSA-N	-1	0	275.304	2.711	20	30		CFEDRM
CC(=Cc1ccc(F)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193613999	324075014	/nfs/dbraw/zinc/07/50/14/324075014.db2.gz	AJUDCIWZKSBFSX-CLFYSBASSA-N	-1	0	269.279	2.650	20	30		CFEDRM
C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000580430779	325034702	/nfs/dbraw/zinc/03/47/02/325034702.db2.gz	WOQOOAKNCREDRT-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000262873498	326962374	/nfs/dbraw/zinc/96/23/74/326962374.db2.gz	JWLMHCKXRNRJLH-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(CC#N)c1	ZINC000313478630	327133306	/nfs/dbraw/zinc/13/33/06/327133306.db2.gz	MINHDIFCUOGQFH-UHFFFAOYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CO[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000132368215	327464047	/nfs/dbraw/zinc/46/40/47/327464047.db2.gz	JOQZWXBEOXOJTD-FOUVODNDSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N(CCC)[C@@H](C)C(=O)[O-]	ZINC000562647686	327502329	/nfs/dbraw/zinc/50/23/29/327502329.db2.gz	HGJCORISWHJSCJ-RYUDHWBXSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=CCCC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2ccccc2)C1	ZINC000180296661	329219315	/nfs/dbraw/zinc/21/93/15/329219315.db2.gz	MFLPURKNSCSMQP-HUUCEWRRSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000584450512	329486694	/nfs/dbraw/zinc/48/66/94/329486694.db2.gz	NQPMRWMQOPXRIF-SNVBAGLBSA-N	-1	0	296.392	2.724	20	30		CFEDRM
C=CCCCN(C)C(=O)CCc1ccccc1C(=O)[O-]	ZINC000262241274	330002498	/nfs/dbraw/zinc/00/24/98/330002498.db2.gz	UHCLCBYRSLLFCA-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C#CC[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000262443042	330013328	/nfs/dbraw/zinc/01/33/28/330013328.db2.gz	CWEKXTMVPYNRQZ-AWEZNQCLSA-N	-1	0	285.343	2.512	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000262810001	330032512	/nfs/dbraw/zinc/03/25/12/330032512.db2.gz	DHGHZDZXPOYGRR-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000262865486	330035833	/nfs/dbraw/zinc/03/58/33/330035833.db2.gz	JDPBITUMOKPIJT-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000263278299	330051646	/nfs/dbraw/zinc/05/16/46/330051646.db2.gz	NWJITUWRLCKAKY-STQMWFEESA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000263309993	330051952	/nfs/dbraw/zinc/05/19/52/330051952.db2.gz	WWUJBGASQNDKRS-WPRPVWTQSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)C(=O)[O-]	ZINC000263513050	330058486	/nfs/dbraw/zinc/05/84/86/330058486.db2.gz	CXNDEXDSSVIIOF-LSDHHAIUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000263531878	330059116	/nfs/dbraw/zinc/05/91/16/330059116.db2.gz	MWOWDOIEJQRDOX-LBPRGKRZSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000448995913	330890424	/nfs/dbraw/zinc/89/04/24/330890424.db2.gz	RHIWYVPJPMTQGJ-GXTWGEPZSA-N	-1	0	275.348	2.634	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)CC1(C#N)CCC1	ZINC000450763455	330998801	/nfs/dbraw/zinc/99/88/01/330998801.db2.gz	VGIQVOLUCYTJPZ-UHFFFAOYSA-N	-1	0	288.376	2.523	20	30		CFEDRM
C=CCC(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000451231665	331021329	/nfs/dbraw/zinc/02/13/29/331021329.db2.gz	TYJAICUNTUQHIT-UHFFFAOYSA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=C(C)CCNC(=O)N=c1[n-]nc(-c2ccsc2)s1	ZINC000454564356	331148963	/nfs/dbraw/zinc/14/89/63/331148963.db2.gz	YRISVIMCQRUKAJ-UHFFFAOYSA-N	-1	0	294.405	2.776	20	30		CFEDRM
C=CCn1c(-c2ccccc2F)n[n-]c1=NC(C)(C)C	ZINC000463100877	331340204	/nfs/dbraw/zinc/34/02/04/331340204.db2.gz	AZWIBAQGCZQSGR-UHFFFAOYSA-N	-1	0	274.343	2.903	20	30		CFEDRM
CC#CCSc1n[n-]c(=NCCc2cccs2)s1	ZINC000463250671	331343422	/nfs/dbraw/zinc/34/34/22/331343422.db2.gz	NKFHCZMXRZKPMW-UHFFFAOYSA-N	-1	0	295.458	2.792	20	30		CFEDRM
C=C(CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC000488916980	332033588	/nfs/dbraw/zinc/03/35/88/332033588.db2.gz	XCAKUFUAZUGQFO-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
C#C[C@@H](CC)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000491317136	332189366	/nfs/dbraw/zinc/18/93/66/332189366.db2.gz	ZQRLVAYHJSPXSS-UQDQQJHMSA-N	-1	0	266.684	2.785	20	30		CFEDRM
Cc1nc(C(C)C)sc1C([O-])=C(C#N)c1ccncn1	ZINC000546860752	334051891	/nfs/dbraw/zinc/05/18/91/334051891.db2.gz	QMGOZSNXCMBMFQ-JTQLQIEISA-N	-1	0	286.360	2.855	20	30		CFEDRM
N#CC(=C([O-])c1cnc([C@H]2CCCO2)s1)c1ccccn1	ZINC000089966711	334354439	/nfs/dbraw/zinc/35/44/39/334354439.db2.gz	UGHDNAFMVWPSID-ZYHUDNBSSA-N	-1	0	299.355	2.880	20	30		CFEDRM
C=C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000565035928	334535634	/nfs/dbraw/zinc/53/56/34/334535634.db2.gz	PPXDODPZEUPWOI-SNVBAGLBSA-N	-1	0	276.292	2.838	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000565181284	334543196	/nfs/dbraw/zinc/54/31/96/334543196.db2.gz	MRLKNFRHOQKUGA-QMMMGPOBSA-N	-1	0	286.253	2.785	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SC[C@@H]1C[C@H]1c1ccccc1	ZINC000576395144	335198064	/nfs/dbraw/zinc/19/80/64/335198064.db2.gz	HAUBELANJRCKIQ-STQMWFEESA-N	-1	0	286.404	2.772	20	30		CFEDRM
N#Cc1cccc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243322566	782136489	/nfs/dbraw/zinc/13/64/89/782136489.db2.gz	HGMJDYZMPRPLCZ-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#Cc1cnc(-c2cc(Cl)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243322814	782137193	/nfs/dbraw/zinc/13/71/93/782137193.db2.gz	NVPMVKFXCXRGIG-UHFFFAOYSA-N	-1	0	283.674	2.844	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243323775	782138634	/nfs/dbraw/zinc/13/86/34/782138634.db2.gz	MSBQXHHUHKTLGE-UHFFFAOYSA-N	-1	0	287.706	2.929	20	30		CFEDRM
CC(C)(CCNc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000336847528	519217635	/nfs/dbraw/zinc/21/76/35/519217635.db2.gz	WQJTYVWFLPEXJH-UHFFFAOYSA-N	-1	0	287.363	2.745	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC2(C)C)[n-]1	ZINC000336085992	519931962	/nfs/dbraw/zinc/93/19/62/519931962.db2.gz	RUKOWQGJYKPXEI-LBPRGKRZSA-N	-1	0	274.368	2.522	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000262150354	534563814	/nfs/dbraw/zinc/56/38/14/534563814.db2.gz	MXLRNCYNDYVMMK-MRXNPFEDSA-N	-1	0	299.370	2.965	20	30		CFEDRM
Cc1nc([C@H](C)NC(=O)C[C@@H]2CCOC2)sc1C(=O)[O-]	ZINC000329577972	534586711	/nfs/dbraw/zinc/58/67/11/534586711.db2.gz	WGAQKCSEKKHHLR-IUCAKERBSA-N	-1	0	298.364	2.594	20	30		CFEDRM
CN(CCCC(=O)[O-])c1cccc(Br)c1C#N	ZINC000168368667	522725312	/nfs/dbraw/zinc/72/53/12/522725312.db2.gz	UYAIRQKPNWSDDM-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C(F)(F)F)c(C#N)c1	ZINC000163841707	522725662	/nfs/dbraw/zinc/72/56/62/522725662.db2.gz	ICSFAYIZNVGVNP-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1	ZINC000262836438	534673256	/nfs/dbraw/zinc/67/32/56/534673256.db2.gz	BTPPKYPCEJDNRW-UKRRQHHQSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1	ZINC000262836436	534673281	/nfs/dbraw/zinc/67/32/81/534673281.db2.gz	BTPPKYPCEJDNRW-HIFRSBDPSA-N	-1	0	287.359	2.812	20	30		CFEDRM
CC[C@H](C(=O)N=c1[n-]n(C(C)C)cc1C#N)c1ccccc1	ZINC000361913403	523769618	/nfs/dbraw/zinc/76/96/18/523769618.db2.gz	JAWWFHTVKQEIHM-HNNXBMFYSA-N	-1	0	296.374	2.890	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262195556	534781401	/nfs/dbraw/zinc/78/14/01/534781401.db2.gz	ZIERCTWLSRTSPO-HZSPNIEDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000230333724	525298547	/nfs/dbraw/zinc/29/85/47/525298547.db2.gz	LGSRVISQMYNJGF-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)NC(C)(C)CCC(=O)[O-]	ZINC000050430832	526001762	/nfs/dbraw/zinc/00/17/62/526001762.db2.gz	YOAIERRYLMOFFU-UHFFFAOYSA-N	-1	0	289.335	2.632	20	30		CFEDRM
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccs1	ZINC000049487774	526008663	/nfs/dbraw/zinc/00/86/63/526008663.db2.gz	DJFBHJKXPMSSEA-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
C[C@H](CC(C)(C)C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000361861661	526255744	/nfs/dbraw/zinc/25/57/44/526255744.db2.gz	FGCWGRDJOXLBPX-LLVKDONJSA-N	-1	0	290.411	2.942	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3cccc(F)c32)cc1[O-]	ZINC000336170861	526593820	/nfs/dbraw/zinc/59/38/20/526593820.db2.gz	FDNDTLAINUHFGJ-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(F)(F)F)o2)cc1	ZINC000351471560	526875500	/nfs/dbraw/zinc/87/55/00/526875500.db2.gz	KJSJYGNQROUZOK-UHFFFAOYSA-N	-1	0	299.252	2.687	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000352541243	527017533	/nfs/dbraw/zinc/01/75/33/527017533.db2.gz	VNOBTXPTOTZXSR-UHFFFAOYSA-N	-1	0	299.374	2.910	20	30		CFEDRM
CCCc1n[n-]c(=NCc2ccc(C#N)c(C)c2)s1	ZINC000446968317	535465389	/nfs/dbraw/zinc/46/53/89/535465389.db2.gz	XCRGTAXOZQSMMO-UHFFFAOYSA-N	-1	0	272.377	2.705	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000935103293	649876118	/nfs/dbraw/zinc/87/61/18/649876118.db2.gz	NPOYOKBZDOWMRO-VIFPVBQESA-N	-1	0	264.281	2.841	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000736427832	574051406	/nfs/dbraw/zinc/05/14/06/574051406.db2.gz	VUPLOSIAPGQDLI-UONOGXRCSA-N	-1	0	294.395	2.666	20	30		CFEDRM
Cc1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000736429077	574051477	/nfs/dbraw/zinc/05/14/77/574051477.db2.gz	PAHFEIWRCSECQS-UHFFFAOYSA-N	-1	0	275.333	2.904	20	30		CFEDRM
Cc1cc(NC(=O)NCCCCC#N)ccc1C(=O)[O-]	ZINC000738441194	574054766	/nfs/dbraw/zinc/05/47/66/574054766.db2.gz	OMAFCKLYFBKEMN-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
N#Cc1cc(F)c(NC[C@H]2CCCN(C(=O)[O-])C2)c(F)c1	ZINC000740311320	574055942	/nfs/dbraw/zinc/05/59/42/574055942.db2.gz	PVCRHVGDMHDDRS-SECBINFHSA-N	-1	0	295.289	2.638	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNC1CCCC1)CCC2	ZINC000727651684	574058788	/nfs/dbraw/zinc/05/87/88/574058788.db2.gz	LNHMOFDTONDUJG-UHFFFAOYSA-N	-1	0	276.336	2.859	20	30		CFEDRM
C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C1CC1	ZINC000736556245	574060492	/nfs/dbraw/zinc/06/04/92/574060492.db2.gz	LPPNNLRVEFOIHR-ZUZCIYMTSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@@H](CSCc1ccc(OCC#N)cc1)C(=O)[O-]	ZINC000736613325	574061563	/nfs/dbraw/zinc/06/15/63/574061563.db2.gz	MIFLEPIBLKCXHP-JTQLQIEISA-N	-1	0	265.334	2.543	20	30		CFEDRM
C#CCCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738456936	574063927	/nfs/dbraw/zinc/06/39/27/574063927.db2.gz	GQOISDCNEZKKIB-UHFFFAOYSA-N	-1	0	267.668	2.610	20	30		CFEDRM
C=C(C)COC(=O)c1cccn1C1CCN(C(=O)[O-])CC1	ZINC000738485828	574089559	/nfs/dbraw/zinc/08/95/59/574089559.db2.gz	TYILVMOZNCJNID-UHFFFAOYSA-N	-1	0	292.335	2.536	20	30		CFEDRM
CCCC[C@H](Nc1cc(C#N)ccc1OC)C(=O)[O-]	ZINC000736981869	574091031	/nfs/dbraw/zinc/09/10/31/574091031.db2.gz	JFPQKEKKGYBFKE-NSHDSACASA-N	-1	0	262.309	2.622	20	30		CFEDRM
C=CCCO[C@@H](C)c1nc(C2(NC(=O)[O-])CCCC2)no1	ZINC000738492258	574094568	/nfs/dbraw/zinc/09/45/68/574094568.db2.gz	CXAILKDOWVIABO-JTQLQIEISA-N	-1	0	295.339	2.760	20	30		CFEDRM
C=CCCCCCN(C)C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000738493466	574095150	/nfs/dbraw/zinc/09/51/50/574095150.db2.gz	OFZHWFGZYNZSCP-UHFFFAOYSA-N	-1	0	296.411	2.971	20	30		CFEDRM
C=CCCCN(C)C(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000738492926	574095286	/nfs/dbraw/zinc/09/52/86/574095286.db2.gz	IPCVPJOKLNIAOM-UHFFFAOYSA-N	-1	0	278.308	2.520	20	30		CFEDRM
Cc1ncccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000728785777	574109737	/nfs/dbraw/zinc/10/97/37/574109737.db2.gz	MMUPPPQRNJYJEO-HJWRWDBZSA-N	-1	0	281.311	2.913	20	30		CFEDRM
CCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)s1	ZINC000731155669	574111234	/nfs/dbraw/zinc/11/12/34/574111234.db2.gz	OLSLELRINNDOJQ-PSKZRQQASA-N	-1	0	290.340	2.539	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(F)cc1C	ZINC000731314087	574116305	/nfs/dbraw/zinc/11/63/05/574116305.db2.gz	ZFZWBOHNSSYFJN-UHFFFAOYSA-N	-1	0	284.298	2.637	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1cc(F)ccc1O	ZINC000731321894	574116523	/nfs/dbraw/zinc/11/65/23/574116523.db2.gz	UHXKWYKTLUCMGI-UHFFFAOYSA-N	-1	0	263.247	2.902	20	30		CFEDRM
CN(CC#N)Cc1c(C(=O)[O-])sc2cccc(F)c21	ZINC000737385900	574137968	/nfs/dbraw/zinc/13/79/68/574137968.db2.gz	GOYMAEXLLJBCDI-UHFFFAOYSA-N	-1	0	278.308	2.694	20	30		CFEDRM
CCCCC(COC)N=Nc1cccc(C(=O)[O-])c1	ZINC000737416805	574139734	/nfs/dbraw/zinc/13/97/34/574139734.db2.gz	UXZSMQFGKRJVCR-UHFFFAOYSA-N	-1	0	264.325	2.989	20	30		CFEDRM
CO[C@]1(C)CC(N=Nc2ccc(C(=O)[O-])cc2)C1(C)C	ZINC000746557723	574154597	/nfs/dbraw/zinc/15/45/97/574154597.db2.gz	KWWJTOFIMBECFE-OAHLLOKOSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1nccs1	ZINC000732623209	574163083	/nfs/dbraw/zinc/16/30/83/574163083.db2.gz	YCZIOMMXIBTOFH-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H]2CCc3ccccc32)n1	ZINC000755463827	574163619	/nfs/dbraw/zinc/16/36/19/574163619.db2.gz	MOXWUVILXLNTAS-LBPRGKRZSA-N	-1	0	268.320	2.618	20	30		CFEDRM
Cc1c(NN=Cc2ccc(C(=O)[O-])o2)cccc1[N+](=O)[O-]	ZINC000738306638	574163792	/nfs/dbraw/zinc/16/37/92/574163792.db2.gz	XUOIRYQDMLJYCJ-UHFFFAOYSA-N	-1	0	289.247	2.640	20	30		CFEDRM
N#Cc1ccc(Oc2cccc(C(=O)OCC(=O)[O-])c2)cc1	ZINC000738434570	574169239	/nfs/dbraw/zinc/16/92/39/574169239.db2.gz	LKOVAPBSLDKJJD-UHFFFAOYSA-N	-1	0	297.266	2.592	20	30		CFEDRM
C#CCN(C(=O)CCN(C(=O)[O-])C(C)C)C1CCCCC1	ZINC000738456729	574170084	/nfs/dbraw/zinc/17/00/84/574170084.db2.gz	ASYNRVKAGHPYOZ-UHFFFAOYSA-N	-1	0	294.395	2.559	20	30		CFEDRM
C=CC[C@H](C)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738488305	574171161	/nfs/dbraw/zinc/17/11/61/574171161.db2.gz	IJUFMMLXYWEVAZ-JSGCOSHPSA-N	-1	0	290.363	2.856	20	30		CFEDRM
Cc1ccc(NN=Cc2cc(C(=O)[O-])ccc2O)cc1	ZINC000738632875	574177260	/nfs/dbraw/zinc/17/72/60/574177260.db2.gz	OLSGFMCKCCLOCR-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCCCc2ccccc2)cc1	ZINC000729148161	574179375	/nfs/dbraw/zinc/17/93/75/574179375.db2.gz	PYEYGWXDDTYGTQ-UHFFFAOYSA-N	-1	0	282.343	2.941	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])C1CCOCC1	ZINC000755885561	574193722	/nfs/dbraw/zinc/19/37/22/574193722.db2.gz	GHCYAAAAIKSWJI-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1ccnc(NN=Cc2ccccc2C(=O)[O-])c1	ZINC000755905150	574196033	/nfs/dbraw/zinc/19/60/33/574196033.db2.gz	GHDFBBJXFXXJCS-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
N#Cc1ccc([C@H](Nc2ccc3c(c2)CCO3)C(=O)[O-])cc1	ZINC000739109732	574199234	/nfs/dbraw/zinc/19/92/34/574199234.db2.gz	MUBCDLKUSOFEBG-INIZCTEOSA-N	-1	0	294.310	2.731	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)C=C2CCCC2)C(=O)[O-])cc1	ZINC000739110956	574199290	/nfs/dbraw/zinc/19/92/90/574199290.db2.gz	SWHXEKSRSRXECF-OAHLLOKOSA-N	-1	0	285.299	2.728	20	30		CFEDRM
N#Cc1ccc([C@@H](Sc2cc(C#N)ccn2)C(=O)[O-])cc1	ZINC000739117683	574199294	/nfs/dbraw/zinc/19/92/94/574199294.db2.gz	MMMQYCCYUFGPFJ-CQSZACIVSA-N	-1	0	295.323	2.743	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2ccsc2)C(=O)[O-])cc1	ZINC000739118557	574199301	/nfs/dbraw/zinc/19/93/01/574199301.db2.gz	TUPTTXIXRSHOGO-LBPRGKRZSA-N	-1	0	287.296	2.602	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])C1	ZINC000739328227	574207999	/nfs/dbraw/zinc/20/79/99/574207999.db2.gz	CMMUBXLDNLFRGA-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C[C@@H]1OCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000747737067	574209103	/nfs/dbraw/zinc/20/91/03/574209103.db2.gz	UFHKWOQUJVGDNG-ZETCQYMHSA-N	-1	0	268.700	2.615	20	30		CFEDRM
O=C([O-])COc1cccc(C=NOCc2ccccc2)c1	ZINC000733203642	574210681	/nfs/dbraw/zinc/21/06/81/574210681.db2.gz	UFRNALQXNBQDBY-UHFFFAOYSA-N	-1	0	285.299	2.701	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)CC)cc1	ZINC000756232956	574217483	/nfs/dbraw/zinc/21/74/83/574217483.db2.gz	IBJXQFUIYZPELF-WFASDCNBSA-N	-1	0	284.359	2.825	20	30		CFEDRM
CN(C(=O)[O-])[C@H]1CCCN(c2cc(Cl)ccc2C#N)C1	ZINC000739589272	574220245	/nfs/dbraw/zinc/22/02/45/574220245.db2.gz	WSDOQRRIDNQTIH-LBPRGKRZSA-N	-1	0	293.754	2.790	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3S2)c1	ZINC000748005570	574224255	/nfs/dbraw/zinc/22/42/55/574224255.db2.gz	VXZYUKPKACPLHC-OAHLLOKOSA-N	-1	0	296.351	2.919	20	30		CFEDRM
COc1cc(NC[C@@H](C#N)CCC#N)ccc1NC(=O)[O-]	ZINC000739867486	574226989	/nfs/dbraw/zinc/22/69/89/574226989.db2.gz	BPINJWDWTRGOHJ-SNVBAGLBSA-N	-1	0	288.307	2.641	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](/N=C\c2cc(Cl)ccc2O)C1	ZINC000739924171	574229629	/nfs/dbraw/zinc/22/96/29/574229629.db2.gz	CPJUCOHTALPCPP-LYGDGENHSA-N	-1	0	282.727	2.607	20	30		CFEDRM
Cc1cccc(N=NC2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000740173806	574241501	/nfs/dbraw/zinc/24/15/01/574241501.db2.gz	XIIVQWAQJSSWMZ-LLVKDONJSA-N	-1	0	261.325	2.831	20	30		CFEDRM
N#Cc1ccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1	ZINC000740318152	574246432	/nfs/dbraw/zinc/24/64/32/574246432.db2.gz	WMTIXUQSQXNRBY-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1	ZINC000740312937	574246478	/nfs/dbraw/zinc/24/64/78/574246478.db2.gz	LRLSZSIJGIWSDM-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NC[C@@H]1CCCN1C(=O)[O-]	ZINC000740311954	574246551	/nfs/dbraw/zinc/24/65/51/574246551.db2.gz	WSJSZNSICNUUQP-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000740310065	574246592	/nfs/dbraw/zinc/24/65/92/574246592.db2.gz	ANKRTMSQESYVIQ-CABZTGNLSA-N	-1	0	277.299	2.546	20	30		CFEDRM
CCc1cccc(OCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000748410629	574251353	/nfs/dbraw/zinc/25/13/53/574251353.db2.gz	NVGYUJXRBHEWSK-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])OCC	ZINC000756787229	574262746	/nfs/dbraw/zinc/26/27/46/574262746.db2.gz	HUIZTLQRYOPTRG-AWEZNQCLSA-N	-1	0	274.320	2.574	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccccc1C#N	ZINC000756899417	574271344	/nfs/dbraw/zinc/27/13/44/574271344.db2.gz	ZRCLZJCCJNZEGL-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(F)cc1	ZINC000756900702	574271351	/nfs/dbraw/zinc/27/13/51/574271351.db2.gz	AGSWROYRPPOTAN-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@H]1CCOC1	ZINC000756905835	574272261	/nfs/dbraw/zinc/27/22/61/574272261.db2.gz	MGKGGHZWBMOTGN-NSHDSACASA-N	-1	0	292.335	2.608	20	30		CFEDRM
O=C([O-])c1cc(N=NC2CCCOC2)ccc1Cl	ZINC000734744150	574300565	/nfs/dbraw/zinc/30/05/65/574300565.db2.gz	BZEKNUZCUYQZDB-UHFFFAOYSA-N	-1	0	268.700	2.617	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2c[nH]c3ncccc23)c1	ZINC000741759201	574301095	/nfs/dbraw/zinc/30/10/95/574301095.db2.gz	HFFWUXYINDZJAS-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCOC1	ZINC000741838475	574306080	/nfs/dbraw/zinc/30/60/80/574306080.db2.gz	MCRPAPJIYBYAAI-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
C[C@H](Cc1ccncc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749844077	574312651	/nfs/dbraw/zinc/31/26/51/574312651.db2.gz	HCOBDZUFAVLZSE-JDAJCMJVSA-N	-1	0	285.303	2.746	20	30		CFEDRM
C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000739039290	574315967	/nfs/dbraw/zinc/31/59/67/574315967.db2.gz	ZPKYLYSNUBQMBJ-WDEREUQCSA-N	-1	0	291.326	2.888	20	30		CFEDRM
C=CC1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1	ZINC000735409735	574322754	/nfs/dbraw/zinc/32/27/54/574322754.db2.gz	JROGEOHYSGHGGS-UHFFFAOYSA-N	-1	0	291.305	2.547	20	30		CFEDRM
Cc1ncsc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000742432968	574330491	/nfs/dbraw/zinc/33/04/91/574330491.db2.gz	KZQQRQSZNDLXNQ-VOTSOKGWSA-N	-1	0	287.340	2.975	20	30		CFEDRM
O=C([O-])c1ccc(C=Nn2cnnc2-c2ccccc2)cc1	ZINC000725856751	574333391	/nfs/dbraw/zinc/33/33/91/574333391.db2.gz	NJGCRVIIELCYEW-UHFFFAOYSA-N	-1	0	292.298	2.526	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccs1	ZINC000725858290	574334390	/nfs/dbraw/zinc/33/43/90/574334390.db2.gz	IUVDIRWUVKKHLY-UHFFFAOYSA-N	-1	0	287.369	2.629	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000736076240	574349960	/nfs/dbraw/zinc/34/99/60/574349960.db2.gz	COGBYMRVCNTNCM-HNNXBMFYSA-N	-1	0	295.294	2.701	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)CCCN(C)C(=O)[O-]	ZINC000736108024	574350276	/nfs/dbraw/zinc/35/02/76/574350276.db2.gz	GUJGCEQMYWNBSD-UHFFFAOYSA-N	-1	0	296.411	2.971	20	30		CFEDRM
C=CCN(CC=C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000736108263	574350424	/nfs/dbraw/zinc/35/04/24/574350424.db2.gz	QWRZPYPYVKKYDO-UHFFFAOYSA-N	-1	0	298.342	2.540	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)CCCNC(=O)[O-])c1	ZINC000736094379	574350736	/nfs/dbraw/zinc/35/07/36/574350736.db2.gz	DDJHKLDATYKVCX-UHFFFAOYSA-N	-1	0	292.335	2.628	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1	ZINC000736090978	574350740	/nfs/dbraw/zinc/35/07/40/574350740.db2.gz	MCROONQWZDRXAH-UHFFFAOYSA-N	-1	0	296.326	2.588	20	30		CFEDRM
COc1ccc(C(C)=NO[C@H]2CCCCO2)c(O)c1	ZINC000755824074	574350800	/nfs/dbraw/zinc/35/08/00/574350800.db2.gz	UYTCZFZRGIAOMY-AWEZNQCLSA-N	-1	0	265.309	2.668	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])c(C)o2)c1	ZINC000736091490	574350900	/nfs/dbraw/zinc/35/09/00/574350900.db2.gz	WMBLGNHCUDAVPW-UHFFFAOYSA-N	-1	0	269.300	2.904	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736098129	574351040	/nfs/dbraw/zinc/35/10/40/574351040.db2.gz	SEPWQGARXSIEIP-UHFFFAOYSA-N	-1	0	252.245	2.820	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736098084	574351153	/nfs/dbraw/zinc/35/11/53/574351153.db2.gz	REJSXQZCIRUKMH-UHFFFAOYSA-N	-1	0	291.351	2.884	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736096480	574351278	/nfs/dbraw/zinc/35/12/78/574351278.db2.gz	NRLFEALZTRCHRA-SNVBAGLBSA-N	-1	0	277.324	2.540	20	30		CFEDRM
C[C@H](C#N)CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736203911	574354373	/nfs/dbraw/zinc/35/43/73/574354373.db2.gz	WKJVYHMMYQMGRR-SKDRFNHKSA-N	-1	0	266.728	2.557	20	30		CFEDRM
CC(C)=C(C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000750940864	574364210	/nfs/dbraw/zinc/36/42/10/574364210.db2.gz	MGAWIPQSYBQDAS-LLVKDONJSA-N	-1	0	292.360	2.527	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000157998910	599826800	/nfs/dbraw/zinc/82/68/00/599826800.db2.gz	FYKZWKLNUILLDT-UHFFFAOYSA-N	-1	0	288.347	2.910	20	30		CFEDRM
COc1ccc(C2CCC(=NNCCC(=O)[O-])CC2)cc1	ZINC000820826974	597738981	/nfs/dbraw/zinc/73/89/81/597738981.db2.gz	PUPAOFDFRZWKGF-UHFFFAOYSA-N	-1	0	290.363	2.773	20	30		CFEDRM
O=C([O-])CCNN=Cc1ccccc1-c1ccccc1	ZINC000821524518	597740818	/nfs/dbraw/zinc/74/08/18/597740818.db2.gz	LGZHWRSJBYMGDJ-UHFFFAOYSA-N	-1	0	268.316	2.752	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1	ZINC000821324923	598048421	/nfs/dbraw/zinc/04/84/21/598048421.db2.gz	ZMLOMQLHHRLSMR-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
O=C([O-])C1CCC(=NNCCc2ccccc2F)CC1	ZINC000814875716	598097215	/nfs/dbraw/zinc/09/72/15/598097215.db2.gz	SVQDALZUPNZFEN-UHFFFAOYSA-N	-1	0	278.327	2.589	20	30		CFEDRM
CC(C)(C)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000819846605	598221427	/nfs/dbraw/zinc/22/14/27/598221427.db2.gz	DUBTYSBYVMDSBG-MRXNPFEDSA-N	-1	0	288.347	2.927	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Oc1ccc2ccccc2c1	ZINC000819873319	598221570	/nfs/dbraw/zinc/22/15/70/598221570.db2.gz	AEGVZPCKIIRINW-INIZCTEOSA-N	-1	0	283.283	2.750	20	30		CFEDRM
Cc1cc(Cl)ccc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820976464	598221637	/nfs/dbraw/zinc/22/16/37/598221637.db2.gz	HQCPXRWFPXMZEI-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
Cc1oc(CNc2ccc(F)c(C#N)c2)cc1C(=O)[O-]	ZINC000235975601	599853904	/nfs/dbraw/zinc/85/39/04/599853904.db2.gz	HHZDDASFRDZMKJ-UHFFFAOYSA-N	-1	0	274.251	2.909	20	30		CFEDRM
C=C1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000382556967	599854328	/nfs/dbraw/zinc/85/43/28/599854328.db2.gz	LXWCKRQKWZBQKM-HWKANZROSA-N	-1	0	288.303	2.849	20	30		CFEDRM
C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1	ZINC000826061518	600684475	/nfs/dbraw/zinc/68/44/75/600684475.db2.gz	VXUNWOHDOAVWLJ-HZMBPMFUSA-N	-1	0	299.282	2.624	20	30		CFEDRM
C=CCOCCCc1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825699201	600696458	/nfs/dbraw/zinc/69/64/58/600696458.db2.gz	UHRLCTRWXHRCEI-UHFFFAOYSA-N	-1	0	288.303	2.570	20	30		CFEDRM
C/C(=C\CSc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000825793696	600727592	/nfs/dbraw/zinc/72/75/92/600727592.db2.gz	XQZXUSHVDBWIDK-UXBLZVDNSA-N	-1	0	288.372	2.955	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)s1	ZINC000042317490	620644899	/nfs/dbraw/zinc/64/48/99/620644899.db2.gz	FOIVSXJCQKDKIJ-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)C#N)c12	ZINC000833002638	600998920	/nfs/dbraw/zinc/99/89/20/600998920.db2.gz	CVJIIDJQWXURTJ-LURJTMIESA-N	-1	0	290.348	2.578	20	30		CFEDRM
N#CCN(CCCc1cccc2ccccc21)CC(=O)[O-]	ZINC000833066651	601003486	/nfs/dbraw/zinc/00/34/86/601003486.db2.gz	DXYMINVCSIHNTR-UHFFFAOYSA-N	-1	0	282.343	2.683	20	30		CFEDRM
CCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829210099	601109151	/nfs/dbraw/zinc/10/91/51/601109151.db2.gz	ZKSIUIJZJXNAFK-ZWNOBZJWSA-N	-1	0	275.304	2.663	20	30		CFEDRM
C=CCCCC(=O)Oc1c(OC)cccc1C(=O)[O-]	ZINC000825671282	601127209	/nfs/dbraw/zinc/12/72/09/601127209.db2.gz	KFVUXEXJOZDJEG-UHFFFAOYSA-N	-1	0	264.277	2.655	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000042451673	601129954	/nfs/dbraw/zinc/12/99/54/601129954.db2.gz	SXZYGOKPGRDKHL-UHFFFAOYSA-N	-1	0	295.726	2.806	20	30		CFEDRM
CC(C)=C(C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000826641532	601194187	/nfs/dbraw/zinc/19/41/87/601194187.db2.gz	DGLHRHDXPCHEIR-CYBMUJFWSA-N	-1	0	273.288	2.583	20	30		CFEDRM
CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C#N)cc1	ZINC000828784923	601271268	/nfs/dbraw/zinc/27/12/68/601271268.db2.gz	RFGFXORYCNDPSC-UHFFFAOYSA-N	-1	0	289.335	2.713	20	30		CFEDRM
Cc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)o1	ZINC000832932097	601309511	/nfs/dbraw/zinc/30/95/11/601309511.db2.gz	JZAIBODSJSHGIY-HNNXBMFYSA-N	-1	0	284.315	2.717	20	30		CFEDRM
Cc1cccc2c1OC/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832973419	601331868	/nfs/dbraw/zinc/33/18/68/601331868.db2.gz	AAQKKZOJRMUYPN-JXMROGBWSA-N	-1	0	283.283	2.680	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cc(F)c(F)c(F)c2)[nH]1	ZINC000833312127	601338521	/nfs/dbraw/zinc/33/85/21/601338521.db2.gz	KDFJJJUURQWYOA-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)c2cccc(F)c2)C(=O)[O-])c1	ZINC000833077477	601345607	/nfs/dbraw/zinc/34/56/07/601345607.db2.gz	UHHCJSGAKOXJKZ-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826677810	601353370	/nfs/dbraw/zinc/35/33/70/601353370.db2.gz	ZTVOXGDGXOEURD-ZWNOBZJWSA-N	-1	0	275.304	2.519	20	30		CFEDRM
C=C(C)CSCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000825647575	601356121	/nfs/dbraw/zinc/35/61/21/601356121.db2.gz	PRKATNIPBHJVLN-UHFFFAOYSA-N	-1	0	265.334	2.633	20	30		CFEDRM
C=C(C)CSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000825647999	601356169	/nfs/dbraw/zinc/35/61/69/601356169.db2.gz	YVFRAHFEWGRLQI-UHFFFAOYSA-N	-1	0	267.350	2.822	20	30		CFEDRM
CCOc1ccc(/C=N\CC2(C(=O)[O-])CCCC2)c(O)c1	ZINC000830063675	601365701	/nfs/dbraw/zinc/36/57/01/601365701.db2.gz	HQEKFORKJMIVDD-YVLHZVERSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1	ZINC000830394787	601388388	/nfs/dbraw/zinc/38/83/88/601388388.db2.gz	MHJVWQLVDHTBRE-UHFFFAOYSA-N	-1	0	271.272	2.991	20	30		CFEDRM
C=CCCCC(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000825671351	601430589	/nfs/dbraw/zinc/43/05/89/601430589.db2.gz	NGFWXNQPLPBMON-UHFFFAOYSA-N	-1	0	266.268	2.923	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000825671020	601437925	/nfs/dbraw/zinc/43/79/25/601437925.db2.gz	AUHQLBVPZQSBMJ-UHFFFAOYSA-N	-1	0	262.309	2.749	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000825671267	601447846	/nfs/dbraw/zinc/44/78/46/601447846.db2.gz	JPFSZARSRVVDET-UHFFFAOYSA-N	-1	0	251.257	2.819	20	30		CFEDRM
Cc1ccc(OC(=O)c2cc(C#N)cs2)c(C(=O)[O-])c1	ZINC000832952830	601500289	/nfs/dbraw/zinc/50/02/89/601500289.db2.gz	FSBWDMUJPBMTIB-UHFFFAOYSA-N	-1	0	287.296	2.846	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2ccsc2C(=O)[O-])c1	ZINC000833079858	601529263	/nfs/dbraw/zinc/52/92/63/601529263.db2.gz	ZZFRAUIRIXWFRQ-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
CCCCC[C@@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000776664592	601639043	/nfs/dbraw/zinc/63/90/43/601639043.db2.gz	ODSNCJXDLYHPTJ-CQSZACIVSA-N	-1	0	288.347	2.516	20	30		CFEDRM
C=C[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825659773	601680630	/nfs/dbraw/zinc/68/06/30/601680630.db2.gz	DKUXRNCUNINUFF-VPIOIWJLSA-N	-1	0	262.265	2.679	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000825675880	601725536	/nfs/dbraw/zinc/72/55/36/601725536.db2.gz	JBEVJTOVOUCNAA-VIFPVBQESA-N	-1	0	298.360	2.779	20	30		CFEDRM
C#CCN(C(=O)NCCCCCCC(=O)[O-])C1CCCC1	ZINC000825609044	601749154	/nfs/dbraw/zinc/74/91/54/601749154.db2.gz	PETJTADRGHYCAK-UHFFFAOYSA-N	-1	0	294.395	2.609	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000158845165	601752221	/nfs/dbraw/zinc/75/22/21/601752221.db2.gz	RGKAKFSHZHQPIG-SSDOTTSWSA-N	-1	0	268.700	2.734	20	30		CFEDRM
Cc1nn(Cc2ccc(C#N)cc2)c(C)c1[C@@H](C)C(=O)[O-]	ZINC000833016724	601779648	/nfs/dbraw/zinc/77/96/48/601779648.db2.gz	DGDBQWNPXASKGI-SNVBAGLBSA-N	-1	0	283.331	2.608	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832157010	601791188	/nfs/dbraw/zinc/79/11/88/601791188.db2.gz	JEFCAESVPLHDAS-FARCUNLSSA-N	-1	0	271.272	2.618	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\CCOc3ccccc3C2=O)c[nH]1	ZINC000833298273	601793351	/nfs/dbraw/zinc/79/33/51/601793351.db2.gz	RBHYEGJIGBTTTQ-YRNVUSSQSA-N	-1	0	283.283	2.762	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cc(F)c(F)cc2F)c[nH]1	ZINC000814849584	601797534	/nfs/dbraw/zinc/79/75/34/601797534.db2.gz	BKCPJQUJFQBTBI-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
COc1cccc(/C=N\Cc2cccc(C(=O)[O-])c2)c1O	ZINC000832545685	601845321	/nfs/dbraw/zinc/84/53/21/601845321.db2.gz	LXGPTTRHYMKTSI-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1[O-]	ZINC000935696945	649930182	/nfs/dbraw/zinc/93/01/82/649930182.db2.gz	IFKIATZBHLOFHI-JTQLQIEISA-N	-1	0	267.275	2.851	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(C)c1nc(CC(=O)[O-])cs1	ZINC000825659834	602162558	/nfs/dbraw/zinc/16/25/58/602162558.db2.gz	HRMRSAWQIRJCLD-UHFFFAOYSA-N	-1	0	294.376	2.501	20	30		CFEDRM
Cc1oc(C=NNCc2cccc(C)c2)cc1C(=O)[O-]	ZINC000832967232	602181065	/nfs/dbraw/zinc/18/10/65/602181065.db2.gz	VPLMBDHMFIWWCN-UHFFFAOYSA-N	-1	0	272.304	2.718	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@@H]1CCCCN1C(=O)[O-]	ZINC000831117964	603181321	/nfs/dbraw/zinc/18/13/21/603181321.db2.gz	JDDXIVSHCLLCCS-LBPRGKRZSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1ccc(CC(=O)Oc2cccc(NC(=O)[O-])c2)cc1	ZINC000831122912	603485627	/nfs/dbraw/zinc/48/56/27/603485627.db2.gz	WNWUFCFNQQSXOX-UHFFFAOYSA-N	-1	0	296.282	2.796	20	30		CFEDRM
Cc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1NC(=O)[O-]	ZINC000830234532	603585619	/nfs/dbraw/zinc/58/56/19/603585619.db2.gz	SIVWDLXCCDCFOQ-LBPRGKRZSA-N	-1	0	276.292	2.790	20	30		CFEDRM
N#Cc1ccccc1SC[C@H]1CCN(C(=O)[O-])C1	ZINC000831156814	603632922	/nfs/dbraw/zinc/63/29/22/603632922.db2.gz	LORRPWDCVUTFJT-JTQLQIEISA-N	-1	0	262.334	2.650	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N2CC3CC2(C(=O)[O-])C3)c1	ZINC000900354977	620663780	/nfs/dbraw/zinc/66/37/80/620663780.db2.gz	DPYPYRUSVGZODL-UHFFFAOYSA-N	-1	0	286.331	2.801	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1	ZINC000900355935	620663876	/nfs/dbraw/zinc/66/38/76/620663876.db2.gz	WCTQZWGYPXOPJV-NSHDSACASA-N	-1	0	298.289	2.950	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1	ZINC000900355193	620664018	/nfs/dbraw/zinc/66/40/18/620664018.db2.gz	HMOVFDZMEBMWSA-UHFFFAOYSA-N	-1	0	286.331	2.529	20	30		CFEDRM
C#Cc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1	ZINC000900355569	620664075	/nfs/dbraw/zinc/66/40/75/620664075.db2.gz	PUJMZZCMPSKKBD-CQSZACIVSA-N	-1	0	286.331	2.529	20	30		CFEDRM
CC1CC(C#N)(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)C1	ZINC000825784085	603992904	/nfs/dbraw/zinc/99/29/04/603992904.db2.gz	VEYSCIHAUDUFNS-UHFFFAOYSA-N	-1	0	288.303	2.646	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000823491574	604067161	/nfs/dbraw/zinc/06/71/61/604067161.db2.gz	XHHCWLAUCFGVQA-ZIAGYGMSSA-N	-1	0	294.395	2.697	20	30		CFEDRM
Cc1ccc(N=NC(C)[C@@H]2CCCCN2C(=O)[O-])nc1	ZINC000823533031	604088098	/nfs/dbraw/zinc/08/80/98/604088098.db2.gz	PIAPJXGYNIDCMF-LBPRGKRZSA-N	-1	0	276.340	2.710	20	30		CFEDRM
Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1NC(=O)[O-]	ZINC000830206299	604091385	/nfs/dbraw/zinc/09/13/85/604091385.db2.gz	YZBBXHROQUJCNZ-GFCCVEGCSA-N	-1	0	289.335	2.753	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900400680	620670153	/nfs/dbraw/zinc/67/01/53/620670153.db2.gz	NLRUHOZEMIJQTJ-NWDGAFQWSA-N	-1	0	290.750	2.759	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823451269	604210251	/nfs/dbraw/zinc/21/02/51/604210251.db2.gz	RHXVRQLBIBOMAL-NSHDSACASA-N	-1	0	289.335	2.502	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823496891	604359065	/nfs/dbraw/zinc/35/90/65/604359065.db2.gz	RWLTZRMKHPSJKI-KGLIPLIRSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=C(C)COC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823480990	604412746	/nfs/dbraw/zinc/41/27/46/604412746.db2.gz	UODKYMQPFNBWOZ-NEPJUHHUSA-N	-1	0	269.341	2.522	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(C[C@H](C)C#N)C1CC1	ZINC000833679283	604485517	/nfs/dbraw/zinc/48/55/17/604485517.db2.gz	XPPPDTPGOHQUPL-SNVBAGLBSA-N	-1	0	276.336	2.664	20	30		CFEDRM
C[C@H](c1ccccn1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833548953	604564749	/nfs/dbraw/zinc/56/47/49/604564749.db2.gz	ITOXHNZPCXSWBD-GFCCVEGCSA-N	-1	0	295.342	2.844	20	30		CFEDRM
CC(C)CCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833481747	604579844	/nfs/dbraw/zinc/57/98/44/604579844.db2.gz	ZNDBOSWTJALQNQ-UHFFFAOYSA-N	-1	0	275.304	2.736	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)OCC	ZINC000833368739	604604264	/nfs/dbraw/zinc/60/42/64/604604264.db2.gz	RPLIBVZWNZGEHO-CQSZACIVSA-N	-1	0	292.331	2.590	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833019645	604630465	/nfs/dbraw/zinc/63/04/65/604630465.db2.gz	BARMXOJYWVLKKN-BQYQJAHWSA-N	-1	0	271.272	2.886	20	30		CFEDRM
C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)/C(C)=C/C	ZINC000825702474	604634652	/nfs/dbraw/zinc/63/46/52/604634652.db2.gz	ORILCICSTCLSPH-UXBLZVDNSA-N	-1	0	290.315	2.994	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccc(C(=O)[O-])cc1	ZINC000764845950	604640723	/nfs/dbraw/zinc/64/07/23/604640723.db2.gz	BTOKXRFNIIDHGY-UHFFFAOYSA-N	-1	0	261.199	2.688	20	30		CFEDRM
C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1cccs1	ZINC000028188242	604749943	/nfs/dbraw/zinc/74/99/43/604749943.db2.gz	QOFQVRJHPZXATP-QMMMGPOBSA-N	-1	0	295.389	2.758	20	30		CFEDRM
C=C[C@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000761624580	604758412	/nfs/dbraw/zinc/75/84/12/604758412.db2.gz	MXLJSOZZBRGBML-GFCCVEGCSA-N	-1	0	275.348	2.716	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)c(F)c1	ZINC000833072770	604772397	/nfs/dbraw/zinc/77/23/97/604772397.db2.gz	PZWVXHSSOJGGON-HWKANZROSA-N	-1	0	268.247	2.961	20	30		CFEDRM
C=C(Br)CN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167266838	604772939	/nfs/dbraw/zinc/77/29/39/604772939.db2.gz	BBXBCQRCLNODRL-LLVKDONJSA-N	-1	0	296.164	2.974	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000761644838	604778368	/nfs/dbraw/zinc/77/83/68/604778368.db2.gz	SYJZLDWIVVGGHQ-DOMZBBRYSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCN(C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1)C(C)C	ZINC000823500829	604830969	/nfs/dbraw/zinc/83/09/69/604830969.db2.gz	MDCMRBDWCWDIEW-ZDUSSCGKSA-N	-1	0	296.411	2.826	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000833373315	604898467	/nfs/dbraw/zinc/89/84/67/604898467.db2.gz	LADIRIUZMAYDBE-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(Br)CN(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000833367044	604949436	/nfs/dbraw/zinc/94/94/36/604949436.db2.gz	HFCSOCGYIOTEEI-NSHDSACASA-N	-1	0	284.153	2.653	20	30		CFEDRM
Cc1occc1CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833029989	604968774	/nfs/dbraw/zinc/96/87/74/604968774.db2.gz	NFGGVFXYVDQLRH-OAHLLOKOSA-N	-1	0	284.315	2.717	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000833373001	604991086	/nfs/dbraw/zinc/99/10/86/604991086.db2.gz	CUFIPPKFHGDDET-MRVPVSSYSA-N	-1	0	265.309	2.841	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000236423820	605008804	/nfs/dbraw/zinc/00/88/04/605008804.db2.gz	RUGLIVRXALUHIG-UHFFFAOYSA-N	-1	0	273.332	2.836	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000833362602	605009402	/nfs/dbraw/zinc/00/94/02/605009402.db2.gz	ADZBQYJAWCQHHD-UHFFFAOYSA-N	-1	0	288.347	2.929	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1cncc(C(=O)[O-])c1	ZINC000833374127	605030816	/nfs/dbraw/zinc/03/08/16/605030816.db2.gz	SNYSWMCNMWDIGK-UHFFFAOYSA-N	-1	0	276.336	2.598	20	30		CFEDRM
CC#CCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833380407	605068246	/nfs/dbraw/zinc/06/82/46/605068246.db2.gz	DFMYUTZVQMFJBM-LLVKDONJSA-N	-1	0	272.131	2.732	20	30		CFEDRM
C[C@H](CC(=O)OCCCCC#N)C1CCN(C(=O)[O-])CC1	ZINC000824730289	605077963	/nfs/dbraw/zinc/07/79/63/605077963.db2.gz	XFFQMGAMSIFCJF-GFCCVEGCSA-N	-1	0	296.367	2.640	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833407746	605159343	/nfs/dbraw/zinc/15/93/43/605159343.db2.gz	OBAJAPZUZIATQZ-UHFFFAOYSA-N	-1	0	289.331	2.800	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)OCc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833606642	605163890	/nfs/dbraw/zinc/16/38/90/605163890.db2.gz	SQDIDFRXDNMRRB-GHMZBOCLSA-N	-1	0	287.315	2.736	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000833430607	605233137	/nfs/dbraw/zinc/23/31/37/605233137.db2.gz	YASQZQYPSVMOCH-SECBINFHSA-N	-1	0	281.333	2.666	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000833428769	605240891	/nfs/dbraw/zinc/24/08/91/605240891.db2.gz	YPXQAXLRMRKKDH-SECBINFHSA-N	-1	0	281.333	2.666	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1cc(Cl)ccn1	ZINC000833408491	605287503	/nfs/dbraw/zinc/28/75/03/605287503.db2.gz	ZATZSIRQFGYMFA-VIFPVBQESA-N	-1	0	292.726	2.628	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NCC1(NC(=O)[O-])CCC1	ZINC000833974126	605361873	/nfs/dbraw/zinc/36/18/73/605361873.db2.gz	HWBPCQYRZCRYSX-UHFFFAOYSA-N	-1	0	296.330	2.709	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000833368205	605393308	/nfs/dbraw/zinc/39/33/08/605393308.db2.gz	CPRWRMXJASCHFX-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000833369009	605408812	/nfs/dbraw/zinc/40/88/12/605408812.db2.gz	ZYIIBVRQDBZRRU-UHFFFAOYSA-N	-1	0	278.352	2.622	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])s2)C1	ZINC000833551085	605419379	/nfs/dbraw/zinc/41/93/79/605419379.db2.gz	GISMLEHIOXLMBS-ZDUSSCGKSA-N	-1	0	264.350	2.572	20	30		CFEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccc(F)cn1	ZINC000824759684	605466185	/nfs/dbraw/zinc/46/61/85/605466185.db2.gz	OANCESMLWYWQBI-NSHDSACASA-N	-1	0	280.303	2.541	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])N=Nc1cnccn1	ZINC000824759253	605474501	/nfs/dbraw/zinc/47/45/01/605474501.db2.gz	JXLCTHDIGXIKAC-LBPRGKRZSA-N	-1	0	291.355	2.577	20	30		CFEDRM
C#CCOc1ccccc1CNc1ccc(NC(=O)[O-])nc1	ZINC000823466699	605519327	/nfs/dbraw/zinc/51/93/27/605519327.db2.gz	HAHMJFSMNDWKRP-UHFFFAOYSA-N	-1	0	297.314	2.796	20	30		CFEDRM
C=CCCOC(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823496279	605557527	/nfs/dbraw/zinc/55/75/27/605557527.db2.gz	HCRXQGFRSQXMRF-LBPRGKRZSA-N	-1	0	263.293	2.505	20	30		CFEDRM
CCCCCCCc1nc([C@H]2COCCN2C(=O)[O-])no1	ZINC000833852908	605706476	/nfs/dbraw/zinc/70/64/76/605706476.db2.gz	LUDKMVYERMBERC-LLVKDONJSA-N	-1	0	297.355	2.634	20	30		CFEDRM
N#Cc1ccc(NCC2CN(C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000833973585	605731996	/nfs/dbraw/zinc/73/19/96/605731996.db2.gz	ANMOANGYDPUPEE-UHFFFAOYSA-N	-1	0	299.252	2.599	20	30		CFEDRM
O=C([O-])N[C@@H]1CC(N=Nc2ccccn2)c2ccccc21	ZINC000834158748	605742241	/nfs/dbraw/zinc/74/22/41/605742241.db2.gz	URVFTRABBUTQEE-GFCCVEGCSA-N	-1	0	282.303	2.610	20	30		CFEDRM
N#Cc1cccc(NC(=O)Cc2cccc(NC(=O)[O-])c2)c1	ZINC000833975577	605756906	/nfs/dbraw/zinc/75/69/06/605756906.db2.gz	CZYLXZWTNRLWKK-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1nc2ccccc2s1	ZINC000834171385	605857957	/nfs/dbraw/zinc/85/79/57/605857957.db2.gz	YNTVXAIATLKUOC-MRVPVSSYSA-N	-1	0	290.348	2.884	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NC[C@H](NC(=O)[O-])C1CC1	ZINC000833973302	605922357	/nfs/dbraw/zinc/92/23/57/605922357.db2.gz	JJTDJWYPQWNOHI-LBPRGKRZSA-N	-1	0	279.727	2.670	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833853575	605939219	/nfs/dbraw/zinc/93/92/19/605939219.db2.gz	QWXOINVLJCWXHK-QWHCGFSZSA-N	-1	0	284.400	2.852	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ncccc2Cl)CC1	ZINC000834096966	605990761	/nfs/dbraw/zinc/99/07/61/605990761.db2.gz	KLKUSTMNCLWURI-UHFFFAOYSA-N	-1	0	282.731	2.667	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCCc1ccccc1	ZINC000049417636	617604201	/nfs/dbraw/zinc/60/42/01/617604201.db2.gz	CFIVUISPRKWINE-UHFFFAOYSA-N	-1	0	269.366	2.704	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(O)cc1F	ZINC000890811475	617909747	/nfs/dbraw/zinc/90/97/47/617909747.db2.gz	GOONIQWOAPFLOQ-UHFFFAOYSA-N	-1	0	251.301	2.960	20	30		CFEDRM
CC(C)C(=O)NCCC/N=C\c1cc(Cl)ccc1O	ZINC000255077443	617949101	/nfs/dbraw/zinc/94/91/01/617949101.db2.gz	XVTINDOPLUNRNI-SXGWCWSVSA-N	-1	0	282.771	2.627	20	30		CFEDRM
COc1ccc(N=Cc2ccc(O)c(O)c2O)c(C)c1	ZINC000255084512	617954299	/nfs/dbraw/zinc/95/42/99/617954299.db2.gz	ZIGAEHOEGZDBSP-UHFFFAOYSA-N	-1	0	273.288	2.871	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000044765640	618029563	/nfs/dbraw/zinc/02/95/63/618029563.db2.gz	OAKOJXVJKRHVMY-UHFFFAOYSA-N	-1	0	260.293	2.653	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCc1ccccc1Cl	ZINC000049417887	617604032	/nfs/dbraw/zinc/60/40/32/617604032.db2.gz	GPEKVMXKDUZGHY-UHFFFAOYSA-N	-1	0	289.784	2.967	20	30		CFEDRM
Cc1ccc(OCCC(=O)[N-]S(=O)(=O)C(C)C)c(C)c1	ZINC000049417475	617604090	/nfs/dbraw/zinc/60/40/90/617604090.db2.gz	HCXPTQYJJKHTNA-UHFFFAOYSA-N	-1	0	299.392	2.767	20	30		CFEDRM
CC(C)OCc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417523	617604151	/nfs/dbraw/zinc/60/41/51/617604151.db2.gz	NMDFJEPLFSLJAP-UHFFFAOYSA-N	-1	0	299.392	2.654	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2occc2C)c(C)s1	ZINC000049501777	617606965	/nfs/dbraw/zinc/60/69/65/617606965.db2.gz	CTFNSSNQLFPKRX-UHFFFAOYSA-N	-1	0	299.373	2.960	20	30		CFEDRM
CCOCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000176083264	617778518	/nfs/dbraw/zinc/77/85/18/617778518.db2.gz	GIIFYUDEGLIPOW-ZDUSSCGKSA-N	-1	0	298.342	2.795	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCOc2ccccc2)c1	ZINC000022729342	617798467	/nfs/dbraw/zinc/79/84/67/617798467.db2.gz	FIWXHHDVOIKTKE-LFIBNONCSA-N	-1	0	286.287	2.798	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccnn2C2CCC2)cc1	ZINC000901119220	620753383	/nfs/dbraw/zinc/75/33/83/620753383.db2.gz	LODCJRSPHVXTFF-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cnn(C2CCC2)c1	ZINC000901158599	620755082	/nfs/dbraw/zinc/75/50/82/620755082.db2.gz	ITWHKHZNSCSZHK-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC1CCOC12CCCC2	ZINC000901160277	620759449	/nfs/dbraw/zinc/75/94/49/620759449.db2.gz	ZKLJEMZFJAMGPR-UHFFFAOYSA-N	-1	0	274.320	2.886	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc(F)ccc1O	ZINC000890811412	617909661	/nfs/dbraw/zinc/90/96/61/617909661.db2.gz	DQTHEVKWBQCEIX-UHFFFAOYSA-N	-1	0	251.301	2.960	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000890811338	617909673	/nfs/dbraw/zinc/90/96/73/617909673.db2.gz	AYNDTNOPBHMVMB-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cnc2ccccc2c1O	ZINC000890814945	617911460	/nfs/dbraw/zinc/91/14/60/617911460.db2.gz	OAAIQIFFCLLHIC-UHFFFAOYSA-N	-1	0	284.359	2.956	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(F)c(O)c1	ZINC000901204995	620764633	/nfs/dbraw/zinc/76/46/33/620764633.db2.gz	ICFDLGZXUXRTMR-ZDUSSCGKSA-N	-1	0	253.273	2.799	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccnn1C	ZINC000901221475	620772870	/nfs/dbraw/zinc/77/28/70/620772870.db2.gz	QVFVXDFIPCUOIB-UHFFFAOYSA-N	-1	0	266.345	2.633	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NNCC1CCCC1	ZINC000901238965	620769977	/nfs/dbraw/zinc/76/99/77/620769977.db2.gz	IGWDBDQISISMIS-UHFFFAOYSA-N	-1	0	276.336	2.507	20	30		CFEDRM
CC(C)OCCON=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901246799	620771514	/nfs/dbraw/zinc/77/15/14/620771514.db2.gz	RJWHEDBZVFCPPL-UHFFFAOYSA-N	-1	0	291.756	2.875	20	30		CFEDRM
Cc1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1C(=O)[O-]	ZINC000901222674	620773446	/nfs/dbraw/zinc/77/34/46/620773446.db2.gz	PJGINEFZEJCYNA-ZDUSSCGKSA-N	-1	0	290.363	2.574	20	30		CFEDRM
CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000048531621	618072573	/nfs/dbraw/zinc/07/25/73/618072573.db2.gz	XIKMJFDUOCAURN-NSHDSACASA-N	-1	0	284.381	2.943	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(C)(=O)=O)Cc1ccc(Cl)cc1	ZINC000091437162	618103688	/nfs/dbraw/zinc/10/36/88/618103688.db2.gz	NTNBQVRYURZGPD-VIFPVBQESA-N	-1	0	289.784	2.825	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000120187149	618109491	/nfs/dbraw/zinc/10/94/91/618109491.db2.gz	AGUMJAHWDNERGU-UHFFFAOYSA-N	-1	0	298.408	2.637	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc([N+](=O)[O-])s2)cc1	ZINC000782220857	618208913	/nfs/dbraw/zinc/20/89/13/618208913.db2.gz	LVFIBIRYHQYXDP-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc2ccccc2[nH]1	ZINC000892420306	618234810	/nfs/dbraw/zinc/23/48/10/618234810.db2.gz	QTCQCDDYDWZNRH-SNVBAGLBSA-N	-1	0	292.298	2.918	20	30		CFEDRM
O=C(/C=C/c1cnn2ccccc12)c1ccccc1[O-]	ZINC000176953787	618246803	/nfs/dbraw/zinc/24/68/03/618246803.db2.gz	HZRJIVZBNIEPHJ-CMDGGOBGSA-N	-1	0	264.284	2.936	20	30		CFEDRM
CCN(Cc1cc(F)cc(F)c1[O-])C[C@H](C)C#N	ZINC000893995649	618262018	/nfs/dbraw/zinc/26/20/18/618262018.db2.gz	SIFVXCAUPYUIHW-SECBINFHSA-N	-1	0	254.280	2.652	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855028686	618306672	/nfs/dbraw/zinc/30/66/72/618306672.db2.gz	YXPYFCLCPOWPSM-QWRGUYRKSA-N	-1	0	285.384	2.613	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cccnc2Cl)c1	ZINC000179737693	618343025	/nfs/dbraw/zinc/34/30/25/618343025.db2.gz	JYIHGMZKGJJICW-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cccs2)c1	ZINC000179737603	618343361	/nfs/dbraw/zinc/34/33/61/618343361.db2.gz	XSJHDDVDJJRKBN-UHFFFAOYSA-N	-1	0	258.302	2.507	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909455310	618352169	/nfs/dbraw/zinc/35/21/69/618352169.db2.gz	WTMFZIRPKLGPDL-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000909493826	618420535	/nfs/dbraw/zinc/42/05/35/618420535.db2.gz	IFSQIGPFBCQXOS-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
O=C(OCC#CC1CCCCC1)c1ccc([N+](=O)[O-])[n-]1	ZINC000814094093	618453472	/nfs/dbraw/zinc/45/34/72/618453472.db2.gz	ZGPJJSPFRRTPNS-UHFFFAOYSA-N	-1	0	276.292	2.663	20	30		CFEDRM
Cc1ccc(N=NCc2cccc(O[C@@H](C)C(=O)[O-])c2)nc1	ZINC000727259328	618475946	/nfs/dbraw/zinc/47/59/46/618475946.db2.gz	CQEOOODCRAFQDR-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
C=C1CC(C)(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)C1	ZINC000909506735	618480899	/nfs/dbraw/zinc/48/08/99/618480899.db2.gz	LZNOMMHUTURJGA-VIFPVBQESA-N	-1	0	294.376	2.683	20	30		CFEDRM
C=CCCC[C@@H](C(=O)N[C@H](C)C(=O)[O-])c1ccccc1	ZINC000901428199	620815609	/nfs/dbraw/zinc/81/56/09/620815609.db2.gz	FGMKIIUGBCJNQP-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000901438168	620820386	/nfs/dbraw/zinc/82/03/86/620820386.db2.gz	NFOWJBSFGULQFC-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CCCC[C@H](C(=O)NCCC(=O)[O-])c1ccccc1	ZINC000901440317	620820850	/nfs/dbraw/zinc/82/08/50/620820850.db2.gz	ZNZVEICDTLXVKX-AWEZNQCLSA-N	-1	0	275.348	2.717	20	30		CFEDRM
CC(C)C[C@@H](CNc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC000311041646	618678932	/nfs/dbraw/zinc/67/89/32/618678932.db2.gz	PCKFEXJBBGBNGN-ZETCQYMHSA-N	-1	0	287.772	2.827	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000892782466	618745481	/nfs/dbraw/zinc/74/54/81/618745481.db2.gz	ZTXGMVWLENOWEI-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
C#CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000909392414	619051461	/nfs/dbraw/zinc/05/14/61/619051461.db2.gz	FSYFZQHOLPGARE-CYBMUJFWSA-N	-1	0	297.713	2.525	20	30		CFEDRM
CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000067000987	619147240	/nfs/dbraw/zinc/14/72/40/619147240.db2.gz	RTFBBACLCATGLB-SNVBAGLBSA-N	-1	0	287.406	2.639	20	30		CFEDRM
CCON=C(C)CCc1ccc(OCCC(=O)[O-])cc1	ZINC000814788111	619258707	/nfs/dbraw/zinc/25/87/07/619258707.db2.gz	CHWRZCNCONMRPQ-UHFFFAOYSA-N	-1	0	279.336	2.885	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCOC)cc1	ZINC000048518796	619348805	/nfs/dbraw/zinc/34/88/05/619348805.db2.gz	XZVPQJGAOSBKRW-UHFFFAOYSA-N	-1	0	299.392	2.711	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518894	619348859	/nfs/dbraw/zinc/34/88/59/619348859.db2.gz	GYKJWRUZHHWSIH-UHFFFAOYSA-N	-1	0	273.741	2.951	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519214	619349476	/nfs/dbraw/zinc/34/94/76/619349476.db2.gz	PDWHPPTYVMUGQW-UHFFFAOYSA-N	-1	0	291.369	2.614	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519374	619349884	/nfs/dbraw/zinc/34/98/84/619349884.db2.gz	RWXWGFMECIHARK-UHFFFAOYSA-N	-1	0	269.366	2.909	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519474	619349971	/nfs/dbraw/zinc/34/99/71/619349971.db2.gz	YLZIEJYTUANWFR-UHFFFAOYSA-N	-1	0	280.349	2.784	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519134	619349973	/nfs/dbraw/zinc/34/99/73/619349973.db2.gz	DRVDAPACAZSLTB-JTQLQIEISA-N	-1	0	283.324	2.827	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000048520070	619350855	/nfs/dbraw/zinc/35/08/55/619350855.db2.gz	VQGKQMQVTZCODY-UHFFFAOYSA-N	-1	0	298.408	2.900	20	30		CFEDRM
CC[C@H](NN=Cc1cscc1C(F)(F)F)C(=O)[O-]	ZINC000793055691	619505391	/nfs/dbraw/zinc/50/53/91/619505391.db2.gz	OELDTQVXOLCNFJ-QMMMGPOBSA-N	-1	0	280.271	2.554	20	30		CFEDRM
N#CC[C@@H](NCc1cccc(Cl)c1[O-])C(F)(F)F	ZINC000896698577	619793508	/nfs/dbraw/zinc/79/35/08/619793508.db2.gz	JLTCVAFWBDTCCQ-SECBINFHSA-N	-1	0	278.661	2.980	20	30		CFEDRM
Cc1csc(C/N=C/c2c(O)c(C)ncc2CO)c1	ZINC000840708679	619881215	/nfs/dbraw/zinc/88/12/15/619881215.db2.gz	YIUMRSVRYUKQKY-GIDUJCDVSA-N	-1	0	276.361	2.577	20	30		CFEDRM
CO[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840709492	619891846	/nfs/dbraw/zinc/89/18/46/619891846.db2.gz	MZNSJLMIAGMGAS-IRPQCHADSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C#CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000909622975	620003112	/nfs/dbraw/zinc/00/31/12/620003112.db2.gz	AAECATCEEPMXPY-JKSUJKDBSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C=CC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1	ZINC000909623555	620003139	/nfs/dbraw/zinc/00/31/39/620003139.db2.gz	CQRYKZAUAWNXCL-UONOGXRCSA-N	-1	0	287.359	2.525	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(Cl)cccc2C#N)C1	ZINC000263265988	620129925	/nfs/dbraw/zinc/12/99/25/620129925.db2.gz	VKEBHLUZICRIEW-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(C)c(C(=O)/C=C\c2cncnc2)c(O)c1	ZINC000799896605	620130320	/nfs/dbraw/zinc/13/03/20/620130320.db2.gz	XASJUXJSYSOFJS-ARJAWSKDSA-N	-1	0	254.289	2.695	20	30		CFEDRM
COc1cccc(C=NNc2ccccc2C(=O)[O-])c1O	ZINC000263628144	620183942	/nfs/dbraw/zinc/18/39/42/620183942.db2.gz	FQBRUNFXUVATIF-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
C=CCCC[C@H](NC(=O)N[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034147	620192289	/nfs/dbraw/zinc/19/22/89/620192289.db2.gz	MMJHDHZAGRMDAA-PWSUYJOCSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)CCCC)C(=O)[O-]	ZINC000864185866	620205526	/nfs/dbraw/zinc/20/55/26/620205526.db2.gz	DUMGIYVMAPLZSQ-WPRPVWTQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
CCS[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)C(C)C	ZINC000067632029	620213768	/nfs/dbraw/zinc/21/37/68/620213768.db2.gz	ZMPQKFLVBJFVAU-JTQLQIEISA-N	-1	0	281.443	2.706	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2c(cccc2C)o1)C(=O)[O-]	ZINC000899294885	620540951	/nfs/dbraw/zinc/54/09/51/620540951.db2.gz	GTAKFSVMEFNSQK-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CC1(CC(=O)N2CCCC[C@H]2C(=O)[O-])CCCCC1	ZINC000899298624	620542891	/nfs/dbraw/zinc/54/28/91/620542891.db2.gz	NOSATMTZHZPMFX-ZDUSSCGKSA-N	-1	0	279.380	2.979	20	30		CFEDRM
O=C([O-])c1cncc(/C=C\C(=O)C2CCCCC2)c1	ZINC000899344979	620547155	/nfs/dbraw/zinc/54/71/55/620547155.db2.gz	CDLMVRLLSFHTEH-SREVYHEPSA-N	-1	0	259.305	2.942	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccccc2OC(F)(F)F)c1=O	ZINC000899352409	620547578	/nfs/dbraw/zinc/54/75/78/620547578.db2.gz	IHPOYUYMAFOKTK-JTQLQIEISA-N	-1	0	296.248	2.947	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C\c2cc(C(=O)[O-])co2)c1C	ZINC000899349386	620549669	/nfs/dbraw/zinc/54/96/69/620549669.db2.gz	BTNYFKBXPPELGD-WAYWQWQTSA-N	-1	0	288.303	2.707	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C/c2cc(C(=O)[O-])co2)c1C	ZINC000899349385	620549746	/nfs/dbraw/zinc/54/97/46/620549746.db2.gz	BTNYFKBXPPELGD-AATRIKPKSA-N	-1	0	288.303	2.707	20	30		CFEDRM
C#CCCc1cc(=O)n([C@H]2CCc3c2cccc3F)[n-]1	ZINC000899356808	620550678	/nfs/dbraw/zinc/55/06/78/620550678.db2.gz	UAYSSFJTZGQJLX-HNNXBMFYSA-N	-1	0	270.307	2.815	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)cc1	ZINC000042235272	620576852	/nfs/dbraw/zinc/57/68/52/620576852.db2.gz	MFGSJKATCBRBRQ-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000899538723	620579996	/nfs/dbraw/zinc/57/99/96/620579996.db2.gz	ZTYNTRWWKXGFTO-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000899536239	620580239	/nfs/dbraw/zinc/58/02/39/620580239.db2.gz	GLUNOJMCLDRMKI-GFCCVEGCSA-N	-1	0	291.347	2.999	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])C(C)C)c1C#N	ZINC000899782647	620598707	/nfs/dbraw/zinc/59/87/07/620598707.db2.gz	ORNYTGOLEZLOEY-IINYFYTJSA-N	-1	0	292.360	2.614	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899775642	620598853	/nfs/dbraw/zinc/59/88/53/620598853.db2.gz	MMCTYCGZBYCWRZ-ZDUSSCGKSA-N	-1	0	288.347	2.942	20	30		CFEDRM
C=CCC[C@@H](NCc1nc2c(s1)CCCC2)C(=O)[O-]	ZINC000901690331	620895724	/nfs/dbraw/zinc/89/57/24/620895724.db2.gz	NYCWACJXDUCTKY-LLVKDONJSA-N	-1	0	280.393	2.531	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000902089243	620976225	/nfs/dbraw/zinc/97/62/25/620976225.db2.gz	ZRTSHROWQLRUKJ-MRXNPFEDSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C#CCOc1cc(F)ccc1NC1CCC(C(=O)[O-])CC1	ZINC000902311086	621029654	/nfs/dbraw/zinc/02/96/54/621029654.db2.gz	GLCVMTAFXGIJCG-UHFFFAOYSA-N	-1	0	291.322	2.893	20	30		CFEDRM
CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000902702797	621155892	/nfs/dbraw/zinc/15/58/92/621155892.db2.gz	SGQUXWNMYCCYFD-CQSZACIVSA-N	-1	0	286.331	2.731	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000905017889	621682464	/nfs/dbraw/zinc/68/24/64/621682464.db2.gz	QPYQWIFDVWFZRC-LBPRGKRZSA-N	-1	0	298.289	2.896	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C#N	ZINC000905115789	621702787	/nfs/dbraw/zinc/70/27/87/621702787.db2.gz	NHLVQFPFMBYNDE-ZJUUUORDSA-N	-1	0	292.360	2.758	20	30		CFEDRM
N#Cc1cc(F)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000905118267	621702849	/nfs/dbraw/zinc/70/28/49/621702849.db2.gz	KAGYIZPASKUYCH-MNOVXSKESA-N	-1	0	290.294	2.527	20	30		CFEDRM
C=C(Cl)CN[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000905378535	621757724	/nfs/dbraw/zinc/75/77/24/621757724.db2.gz	MLQZQODLZBNOCT-GFCCVEGCSA-N	-1	0	253.729	2.771	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2ccc(F)cc2F)C1)C(=O)[O-]	ZINC000905469277	621780750	/nfs/dbraw/zinc/78/07/50/621780750.db2.gz	FLTITMWOYDRYKW-AZMWARKLSA-N	-1	0	282.290	2.651	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000906503274	621999048	/nfs/dbraw/zinc/99/90/48/621999048.db2.gz	WCEBSINSCBEDJF-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
COc1cccc(C(F)(F)C(=O)NC2(C#N)CCCC2)c1	ZINC000906579465	622013769	/nfs/dbraw/zinc/01/37/69/622013769.db2.gz	JFSZROPLOBCUBL-UHFFFAOYSA-N	-1	0	294.301	2.740	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000907578155	622136165	/nfs/dbraw/zinc/13/61/65/622136165.db2.gz	XTVBWXPCCFOENK-ZDUSSCGKSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000907575991	622137743	/nfs/dbraw/zinc/13/77/43/622137743.db2.gz	WSSZANVMDQAZPZ-SJKOYZFVSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000907577657	622138379	/nfs/dbraw/zinc/13/83/79/622138379.db2.gz	VDPMADCMVYJIPW-BLLLJJGKSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000907585627	622139822	/nfs/dbraw/zinc/13/98/22/622139822.db2.gz	HKJNYQDKZRCTAC-DZGCQCFKSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000907628765	622143789	/nfs/dbraw/zinc/14/37/89/622143789.db2.gz	NDVAHOZGQQGFGA-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000907630534	622144284	/nfs/dbraw/zinc/14/42/84/622144284.db2.gz	ZQMOYZWLXQNPPB-ZJUUUORDSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CC1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1	ZINC000907638651	622145355	/nfs/dbraw/zinc/14/53/55/622145355.db2.gz	BDEJFELPTNJHIN-MAUKXSAKSA-N	-1	0	299.370	2.670	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000907780133	622163177	/nfs/dbraw/zinc/16/31/77/622163177.db2.gz	DKFPODSOBIHXQR-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907984816	622182431	/nfs/dbraw/zinc/18/24/31/622182431.db2.gz	WZMICVOQMLNPQM-INIZCTEOSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908090120	622192165	/nfs/dbraw/zinc/19/21/65/622192165.db2.gz	QIGCDBSZTNRTQM-LBPRGKRZSA-N	-1	0	275.348	2.879	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908066436	622192609	/nfs/dbraw/zinc/19/26/09/622192609.db2.gz	XNQUKGHFESBOBO-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908063616	622192757	/nfs/dbraw/zinc/19/27/57/622192757.db2.gz	ORMSERRMUOVFGE-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000908218210	622205485	/nfs/dbraw/zinc/20/54/85/622205485.db2.gz	CQYKDAZEOSBBOK-UHFFFAOYSA-N	-1	0	291.347	2.578	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908234194	622206701	/nfs/dbraw/zinc/20/67/01/622206701.db2.gz	GTZGTAWSGHOPGQ-CQSZACIVSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CC(C)(C)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908332981	622216688	/nfs/dbraw/zinc/21/66/88/622216688.db2.gz	FRYKSNPULHKPJQ-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)C(=O)[O-]	ZINC000908624965	622250195	/nfs/dbraw/zinc/25/01/95/622250195.db2.gz	CSEFCULEIGJTGH-AWEZNQCLSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1cccc([C@H](C)CC)c1)C(=O)[O-]	ZINC000908626900	622250280	/nfs/dbraw/zinc/25/02/80/622250280.db2.gz	FBRSOYZKTZXBDR-BXUZGUMPSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1nc(CC)cs1)C(=O)[O-]	ZINC000908664653	622257148	/nfs/dbraw/zinc/25/71/48/622257148.db2.gz	DJXXUJIAZAQVNO-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000908704466	622266289	/nfs/dbraw/zinc/26/62/89/622266289.db2.gz	FTCAVHXEERKZCF-LBPRGKRZSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C#CCN(C(=O)c1oc(C(=O)[O-])cc1C)C1CCCCC1	ZINC000908759954	622273237	/nfs/dbraw/zinc/27/32/37/622273237.db2.gz	HBXXJIGSZOTERR-UHFFFAOYSA-N	-1	0	289.331	2.694	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)c1cc(C(=O)[O-])on1	ZINC000908800454	622276325	/nfs/dbraw/zinc/27/63/25/622276325.db2.gz	SPCRUDKQSIZKCL-UHFFFAOYSA-N	-1	0	292.335	2.581	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000908920189	622284974	/nfs/dbraw/zinc/28/49/74/622284974.db2.gz	PTFKVODPPYHNCF-CYBMUJFWSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1	ZINC000909079966	622313780	/nfs/dbraw/zinc/31/37/80/622313780.db2.gz	ZHBVHBWTNBMQRI-UHFFFAOYSA-N	-1	0	259.305	2.988	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000909149793	622322257	/nfs/dbraw/zinc/32/22/57/622322257.db2.gz	QZURQYAFGDEACT-NSHDSACASA-N	-1	0	293.388	2.757	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909174719	622322291	/nfs/dbraw/zinc/32/22/91/622322291.db2.gz	LYSRSEDPVYIYPT-CQSZACIVSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909293884	622336096	/nfs/dbraw/zinc/33/60/96/622336096.db2.gz	KTWVXBORNXGULM-BBRMVZONSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909295507	622336367	/nfs/dbraw/zinc/33/63/67/622336367.db2.gz	ZFEUVDVQVJUSLB-CYBMUJFWSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NCC(C)(C)C(=O)[O-]	ZINC000909277240	622337682	/nfs/dbraw/zinc/33/76/82/622337682.db2.gz	HKWOOIJXKDGKCB-UHFFFAOYSA-N	-1	0	293.388	2.805	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1	ZINC000909318872	622339801	/nfs/dbraw/zinc/33/98/01/622339801.db2.gz	PQLVLOAJCHYROO-UHFFFAOYSA-N	-1	0	263.268	2.819	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000909303074	622341179	/nfs/dbraw/zinc/34/11/79/622341179.db2.gz	INERYOGXVDHQRL-YOEHRIQHSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC=C)c1ccccc1)C(=O)[O-]	ZINC000909711498	622344061	/nfs/dbraw/zinc/34/40/61/622344061.db2.gz	CBWSFJZMPBNNQT-GJZGRUSLSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1c(C)cccc1Cl)C(=O)[O-]	ZINC000909714474	622344311	/nfs/dbraw/zinc/34/43/11/622344311.db2.gz	XGYBDFWQEPMUHP-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(NC)ccc1Cl)C(=O)[O-]	ZINC000909715243	622344463	/nfs/dbraw/zinc/34/44/63/622344463.db2.gz	KNJCTPXAWLSTEP-GFCCVEGCSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=CC[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1	ZINC000909739795	622349219	/nfs/dbraw/zinc/34/92/19/622349219.db2.gz	IDZFXBMQURIYFJ-GJZGRUSLSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000909787131	622352502	/nfs/dbraw/zinc/35/25/02/622352502.db2.gz	YVRMVKLVTQWTGY-MRXNPFEDSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000909787129	622352618	/nfs/dbraw/zinc/35/26/18/622352618.db2.gz	YVRMVKLVTQWTGY-INIZCTEOSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909792796	622352878	/nfs/dbraw/zinc/35/28/78/622352878.db2.gz	KZUUXXDKEVODSA-HNNXBMFYSA-N	-1	0	291.322	2.570	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000909813593	622355649	/nfs/dbraw/zinc/35/56/49/622355649.db2.gz	KXHBGJNZFDYFJM-CABCVRRESA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C(=O)[O-])cc1C	ZINC000909990138	622383024	/nfs/dbraw/zinc/38/30/24/622383024.db2.gz	XOXATKIWSSACAF-PHIMTYICSA-N	-1	0	275.304	2.609	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H](CCC)CC1CCCC1)C(=O)[O-]	ZINC000910054258	622392756	/nfs/dbraw/zinc/39/27/56/622392756.db2.gz	LHNFMOPUPBZYCL-KBPBESRZSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C=C1CCC(C(=O)N2CCCCC[C@@H]2C(=O)[O-])CC1	ZINC000910041113	622395085	/nfs/dbraw/zinc/39/50/85/622395085.db2.gz	IXDUDZYAFOUISS-CYBMUJFWSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=CCCC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-]	ZINC000910105020	622405852	/nfs/dbraw/zinc/40/58/52/622405852.db2.gz	CDLQVOBPUCCOQM-QGZVFWFLSA-N	-1	0	287.359	2.641	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC[C@@H](C)CC)C(=O)[O-]	ZINC000910265563	622421666	/nfs/dbraw/zinc/42/16/66/622421666.db2.gz	HOWPGYWHNMGQSJ-WCBMZHEXSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910269423	622422090	/nfs/dbraw/zinc/42/20/90/622422090.db2.gz	AZYFWMGZYPGEKC-VXGBXAGGSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C(C)C)nc1)C(=O)[O-]	ZINC000910271166	622422439	/nfs/dbraw/zinc/42/24/39/622422439.db2.gz	NHDOWRICYWOHNK-GFCCVEGCSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000910383007	622439426	/nfs/dbraw/zinc/43/94/26/622439426.db2.gz	UJEBABJERKENDU-HUUCEWRRSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@@H](C)CC)C(=O)[O-]	ZINC000910912868	622485598	/nfs/dbraw/zinc/48/55/98/622485598.db2.gz	PLWPTWUVSVXLNO-TUAOUCFPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910912914	622485749	/nfs/dbraw/zinc/48/57/49/622485749.db2.gz	QGDSCFKGGMBLOB-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000910913911	622486026	/nfs/dbraw/zinc/48/60/26/622486026.db2.gz	FYERTQJBZNKZNZ-GJZGRUSLSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910913175	622486261	/nfs/dbraw/zinc/48/62/61/622486261.db2.gz	WSCMWOQWPJWXHI-UHIISALHSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C(C)(C)C)on1)C(=O)[O-]	ZINC000910914394	622486324	/nfs/dbraw/zinc/48/63/24/622486324.db2.gz	KGKNWXGSTAKSAD-SNVBAGLBSA-N	-1	0	294.351	2.511	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(OC)cc1C)C(=O)[O-]	ZINC000910914141	622486368	/nfs/dbraw/zinc/48/63/68/622486368.db2.gz	ILHKMKXKZQAXHO-CQSZACIVSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910916639	622486549	/nfs/dbraw/zinc/48/65/49/622486549.db2.gz	HLZGFGVQXIURND-IHRRRGAJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)c(F)c1)C(=O)[O-]	ZINC000910916308	622486795	/nfs/dbraw/zinc/48/67/95/622486795.db2.gz	UUEQUGCLIXDJTP-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)=C1CCCC1)C(=O)[O-]	ZINC000910917157	622486836	/nfs/dbraw/zinc/48/68/36/622486836.db2.gz	MQBQCLIYPNOAFI-ZDUSSCGKSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)cc1C)C(=O)[O-]	ZINC000910919223	622487253	/nfs/dbraw/zinc/48/72/53/622487253.db2.gz	UTOXEBCWFBUONV-CQSZACIVSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCc1cccs1)C(=O)[O-]	ZINC000910919629	622487314	/nfs/dbraw/zinc/48/73/14/622487314.db2.gz	ZBIGIFKQHYZPRB-LBPRGKRZSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC000910921627	622487739	/nfs/dbraw/zinc/48/77/39/622487739.db2.gz	DFRJOOTVPNKGQG-IHRRRGAJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-]	ZINC000910925651	622488064	/nfs/dbraw/zinc/48/80/64/622488064.db2.gz	MYZXVBPJNSKXKN-VIFPVBQESA-N	-1	0	295.301	2.891	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000911085354	622506380	/nfs/dbraw/zinc/50/63/80/622506380.db2.gz	SWTRXADWMFDODD-UHFFFAOYSA-N	-1	0	288.347	2.949	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)Cc1ccccc1C	ZINC000819927512	622575148	/nfs/dbraw/zinc/57/51/48/622575148.db2.gz	SHKDHIOJRQGUEI-AWEZNQCLSA-N	-1	0	289.375	2.663	20	30		CFEDRM
Cn1nccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000156677568	622953752	/nfs/dbraw/zinc/95/37/52/622953752.db2.gz	ZOXCVCVSQMNEOP-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CCCCCCCCC(=O)NCC1(C(=O)[O-])CCOCC1	ZINC000165927357	622998713	/nfs/dbraw/zinc/99/87/13/622998713.db2.gz	XUJUPMMLTABBEE-UHFFFAOYSA-N	-1	0	299.411	2.735	20	30		CFEDRM
CC[C@H](CNc1cccc(Br)c1C#N)C(=O)[O-]	ZINC000168404998	623093236	/nfs/dbraw/zinc/09/32/36/623093236.db2.gz	CNHKHLBXPKVJNC-MRVPVSSYSA-N	-1	0	297.152	2.843	20	30		CFEDRM
CC(=NOCC(F)F)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814903929	623441660	/nfs/dbraw/zinc/44/16/60/623441660.db2.gz	IFPVWFQKARJCGK-VIFPVBQESA-N	-1	0	287.262	2.544	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1	ZINC000825566491	623716964	/nfs/dbraw/zinc/71/69/64/623716964.db2.gz	XKRPOHBRFHTLNX-UHFFFAOYSA-N	-1	0	290.697	2.759	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1	ZINC000826549834	623810685	/nfs/dbraw/zinc/81/06/85/623810685.db2.gz	NURIZZGVFDGIJW-UHFFFAOYSA-N	-1	0	274.345	2.909	20	30		CFEDRM
CC(C)(C)C(=O)CCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000826603358	623822359	/nfs/dbraw/zinc/82/23/59/623822359.db2.gz	GFFVIGPXXGWZHG-UHFFFAOYSA-N	-1	0	288.347	2.988	20	30		CFEDRM
CC(=NOC[C@H]1CCOC1)c1ccc(O)c(Cl)c1	ZINC000788036702	624001913	/nfs/dbraw/zinc/00/19/13/624001913.db2.gz	LRYNPRRDFUFABC-JTQLQIEISA-N	-1	0	269.728	2.823	20	30		CFEDRM
COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C)o1	ZINC000193470189	624024392	/nfs/dbraw/zinc/02/43/92/624024392.db2.gz	YRMMXNPCKVHEGO-LLVKDONJSA-N	-1	0	298.298	2.558	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915990516	624204960	/nfs/dbraw/zinc/20/49/60/624204960.db2.gz	MRIPHRLUEOASQY-FPLPWBNLSA-N	-1	0	284.315	2.550	20	30		CFEDRM
CCC(=Nn1cnnc1)c1cc(Cl)cc(Cl)c1[O-]	ZINC000916581129	624258980	/nfs/dbraw/zinc/25/89/80/624258980.db2.gz	LERMQRNZDWRLKF-UHFFFAOYSA-N	-1	0	285.134	2.953	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1	ZINC000916916865	624292062	/nfs/dbraw/zinc/29/20/62/624292062.db2.gz	DFMQMTKYKPQHCN-LLVKDONJSA-N	-1	0	284.340	2.526	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc2ccccc21	ZINC000916916944	624292100	/nfs/dbraw/zinc/29/21/00/624292100.db2.gz	FCHMSJFCOPNZGL-NSHDSACASA-N	-1	0	284.340	2.526	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ncc(Cl)n2C)c([O-])c1	ZINC000033707216	624537362	/nfs/dbraw/zinc/53/73/62/624537362.db2.gz	RLAJQVHYFZIVGM-WAYWQWQTSA-N	-1	0	292.722	2.684	20	30		CFEDRM
N#Cc1cccc([C@@H]([N-]C(=O)C(F)F)C(F)(F)F)c1	ZINC000831112798	624961795	/nfs/dbraw/zinc/96/17/95/624961795.db2.gz	NQWXUULFDOXYMQ-MRVPVSSYSA-N	-1	0	278.180	2.543	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1	ZINC000831272156	624980427	/nfs/dbraw/zinc/98/04/27/624980427.db2.gz	RQFXCYWKFLCZOD-QJPTWQEYSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000851598244	634449920	/nfs/dbraw/zinc/44/99/20/634449920.db2.gz	PCCWVTGVTHMPLJ-VXGBXAGGSA-N	-1	0	257.374	2.962	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1	ZINC000851615607	634456412	/nfs/dbraw/zinc/45/64/12/634456412.db2.gz	DUCYKJKLCZFJRS-UPZNUWHASA-N	-1	0	289.331	2.806	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1	ZINC000851615308	634456460	/nfs/dbraw/zinc/45/64/60/634456460.db2.gz	AFHJRKJNCRXFQG-OAHLLOKOSA-N	-1	0	299.370	2.579	20	30		CFEDRM
Cn1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000768754125	625903169	/nfs/dbraw/zinc/90/31/69/625903169.db2.gz	CEUVUPUWSOLJEX-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834913172	625920826	/nfs/dbraw/zinc/92/08/26/625920826.db2.gz	VOFOWIZNJQIZGI-GXFFZTMASA-N	-1	0	264.325	2.844	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966276	625936343	/nfs/dbraw/zinc/93/63/43/625936343.db2.gz	FUCJFVUFLIKGSS-QMTHXVAHSA-N	-1	0	294.351	2.852	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834967019	625936914	/nfs/dbraw/zinc/93/69/14/625936914.db2.gz	RPRMVJNQTWLVGM-AWEZNQCLSA-N	-1	0	280.324	2.606	20	30		CFEDRM
CC[C@@H](NN=Cc1ccccc1OCC(C)C)C(=O)[O-]	ZINC000834981460	625944818	/nfs/dbraw/zinc/94/48/18/625944818.db2.gz	PSETUHBEEQSLES-CYBMUJFWSA-N	-1	0	278.352	2.508	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])nc2)c(C)n1C1CC1	ZINC000835006957	625954264	/nfs/dbraw/zinc/95/42/64/625954264.db2.gz	MVPIIOORODBIKF-UHFFFAOYSA-N	-1	0	298.346	2.979	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1C	ZINC000835008833	625955858	/nfs/dbraw/zinc/95/58/58/625955858.db2.gz	JOZZUBSXMSRKKV-YUMQZZPRSA-N	-1	0	250.273	2.968	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2c2ccccn2)cn1	ZINC000835009905	625956853	/nfs/dbraw/zinc/95/68/53/625956853.db2.gz	HOSHTLOMLJYFAL-GFCCVEGCSA-N	-1	0	296.330	2.910	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2c2ccccn2)cn1	ZINC000835009906	625957030	/nfs/dbraw/zinc/95/70/30/625957030.db2.gz	HOSHTLOMLJYFAL-LBPRGKRZSA-N	-1	0	296.330	2.910	20	30		CFEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)CS1	ZINC000835009951	625957309	/nfs/dbraw/zinc/95/73/09/625957309.db2.gz	JFBWRHRNWUCSQW-GFCCVEGCSA-N	-1	0	279.365	2.709	20	30		CFEDRM
COC(C)(C)CCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012134	625958629	/nfs/dbraw/zinc/95/86/29/625958629.db2.gz	NQUMZFKJASSWFG-UHFFFAOYSA-N	-1	0	268.288	2.737	20	30		CFEDRM
COC[C@H](C)C/N=C\c1cc(Br)ccc1O	ZINC000255540885	626212641	/nfs/dbraw/zinc/21/26/41/626212641.db2.gz	LSUGQCXNIFLCPI-UGHKADQRSA-N	-1	0	286.169	2.856	20	30		CFEDRM
N#CC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCCC1	ZINC000923043179	626446131	/nfs/dbraw/zinc/44/61/31/626446131.db2.gz	IFDRKIWXPNFBKR-UHFFFAOYSA-N	-1	0	298.342	2.748	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000923060843	626447530	/nfs/dbraw/zinc/44/75/30/626447530.db2.gz	SUZFLCJKSWCSSO-UHFFFAOYSA-N	-1	0	274.320	2.962	20	30		CFEDRM
N#C[C@]1(C(=O)NCCCCCCC(=O)[O-])CC12CCCC2	ZINC000923062720	626448310	/nfs/dbraw/zinc/44/83/10/626448310.db2.gz	QAXCFWOKAZYUOO-INIZCTEOSA-N	-1	0	292.379	2.612	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000923075933	626449050	/nfs/dbraw/zinc/44/90/50/626449050.db2.gz	MJJQFYFRODLJAB-UHFFFAOYSA-N	-1	0	266.322	2.715	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000923080786	626449458	/nfs/dbraw/zinc/44/94/58/626449458.db2.gz	NCJPIUGTCQUUKE-ZUZCIYMTSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-]	ZINC000923083848	626449587	/nfs/dbraw/zinc/44/95/87/626449587.db2.gz	SRJRETLVAZUYKB-MRVPVSSYSA-N	-1	0	289.303	2.835	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000923084011	626449704	/nfs/dbraw/zinc/44/97/04/626449704.db2.gz	VOERYICZFMKKLR-BMIGLBTASA-N	-1	0	274.320	2.753	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CC=CCC1)C(=O)[O-]	ZINC000923103748	626450617	/nfs/dbraw/zinc/45/06/17/626450617.db2.gz	HWAVVSODQAPCES-OLZOCXBDSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1	ZINC000923193228	626456083	/nfs/dbraw/zinc/45/60/83/626456083.db2.gz	IHLZVSQPGQMALI-LJIZCISZSA-N	-1	0	299.370	2.572	20	30		CFEDRM
C=CCCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923210688	626457042	/nfs/dbraw/zinc/45/70/42/626457042.db2.gz	FCTZVYLVAHDGKK-UHFFFAOYSA-N	-1	0	253.342	2.637	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1Cl	ZINC000103329602	626531273	/nfs/dbraw/zinc/53/12/73/626531273.db2.gz	ZQYWDPGUTQPALY-LBPRGKRZSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CCOCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000867013680	626539936	/nfs/dbraw/zinc/53/99/36/626539936.db2.gz	UZDKUPZUTGQOOO-UHFFFAOYSA-N	-1	0	276.336	2.799	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F	ZINC000805057717	626541760	/nfs/dbraw/zinc/54/17/60/626541760.db2.gz	VOVIVUJBDQMQJF-SNVBAGLBSA-N	-1	0	299.358	2.686	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1cc(C(=O)[O-])ccc1O	ZINC000757465786	626552783	/nfs/dbraw/zinc/55/27/83/626552783.db2.gz	WEFDEJCMBXMTIV-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000757476844	626553331	/nfs/dbraw/zinc/55/33/31/626553331.db2.gz	UTBHQEJBFVZTDO-SREVYHEPSA-N	-1	0	256.305	2.937	20	30		CFEDRM
Cc1nnc(N=NC[C@H](C)CC2CCCCC2)[n-]c1=O	ZINC000758081301	626575767	/nfs/dbraw/zinc/57/57/67/626575767.db2.gz	QTEUVQVTODMSKS-SNVBAGLBSA-N	-1	0	277.372	2.890	20	30		CFEDRM
CCc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)o1	ZINC000760239399	626722373	/nfs/dbraw/zinc/72/23/73/626722373.db2.gz	JXLLTLZBDJVCOB-UHFFFAOYSA-N	-1	0	299.355	2.723	20	30		CFEDRM
CC(C)c1ccc2c(c1)C(=N[N-]c1ncc(F)cn1)C(=O)N2	ZINC000760253551	626725068	/nfs/dbraw/zinc/72/50/68/626725068.db2.gz	IMLDBGHZQOWHIW-UHFFFAOYSA-N	-1	0	299.309	2.507	20	30		CFEDRM
C#CCOCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000760425986	626745363	/nfs/dbraw/zinc/74/53/63/626745363.db2.gz	KWPDMMYZHKZNNX-UHFFFAOYSA-N	-1	0	288.130	2.677	20	30		CFEDRM
CCCOc1cccnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000760473365	626748964	/nfs/dbraw/zinc/74/89/64/626748964.db2.gz	SRLPHKPWMXEIIP-UHFFFAOYSA-N	-1	0	297.314	2.700	20	30		CFEDRM
CCn1c(C)cc(CN=Nc2ccc(C(=O)[O-])cn2)c1C	ZINC000763369096	626983795	/nfs/dbraw/zinc/98/37/95/626983795.db2.gz	GAUSTGKPMKGNDP-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
CC(C)O[C@@H]1CC(=NNc2cnnc([O-])c2Cl)C1(C)C	ZINC000764905437	627105548	/nfs/dbraw/zinc/10/55/48/627105548.db2.gz	NYTDRFSZRPXMHA-SNVBAGLBSA-N	-1	0	298.774	2.827	20	30		CFEDRM
CC(C)O[C@H]1CC(=NNc2cnnc([O-])c2Cl)C1(C)C	ZINC000764905436	627105805	/nfs/dbraw/zinc/10/58/05/627105805.db2.gz	NYTDRFSZRPXMHA-JTQLQIEISA-N	-1	0	298.774	2.827	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cscn1	ZINC000769264869	627416777	/nfs/dbraw/zinc/41/67/77/627416777.db2.gz	NXIRLXVJVJKHSN-IWQZZHSRSA-N	-1	0	276.273	2.653	20	30		CFEDRM
Cc1ccc(C)c2c1CCCC2=NNc1nnc(C)c(=O)[n-]1	ZINC000769779351	627473252	/nfs/dbraw/zinc/47/32/52/627473252.db2.gz	WSXYPDHQMQBGDY-UHFFFAOYSA-N	-1	0	297.362	2.655	20	30		CFEDRM
CC(=O)C(C)(C)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000772716514	627739588	/nfs/dbraw/zinc/73/95/88/627739588.db2.gz	GWJZCCWWLVHYBW-UHFFFAOYSA-N	-1	0	274.320	2.598	20	30		CFEDRM
CC(=N[N-]c1[nH+]cccc1C)c1ccc(C(=O)[O-])o1	ZINC000773073632	627779119	/nfs/dbraw/zinc/77/91/19/627779119.db2.gz	LRQZJHQYGRYVAN-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
COC(=O)c1coc(/C=C/C(=O)c2ccccc2[O-])c1	ZINC000774137474	627892470	/nfs/dbraw/zinc/89/24/70/627892470.db2.gz	WDCDZTZZLURGHK-VOTSOKGWSA-N	-1	0	272.256	2.668	20	30		CFEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]Oc1ccccc1	ZINC000774274792	627911282	/nfs/dbraw/zinc/91/12/82/627911282.db2.gz	JEWKWKBTCNTMFL-UHFFFAOYSA-N	-1	0	296.326	2.826	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cn1	ZINC000774397147	627920997	/nfs/dbraw/zinc/92/09/97/627920997.db2.gz	XYHPVLCZRYFMMV-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
CCC(CC)CNN=Cc1ccccc1OCC(=O)[O-]	ZINC000774465651	627929851	/nfs/dbraw/zinc/92/98/51/627929851.db2.gz	VZRPHPMRQDGJNN-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775662334	628051439	/nfs/dbraw/zinc/05/14/39/628051439.db2.gz	VSZUWIGEAXQSJH-SECBINFHSA-N	-1	0	266.728	2.667	20	30		CFEDRM
C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775676898	628053917	/nfs/dbraw/zinc/05/39/17/628053917.db2.gz	AGYDYPYDZWHFCW-QMMMGPOBSA-N	-1	0	256.708	2.919	20	30		CFEDRM
N#CC1(NC(=O)c2cccc(Cl)c2[O-])CCSCC1	ZINC000775784665	628067511	/nfs/dbraw/zinc/06/75/11/628067511.db2.gz	FBYJNRRCBJACFU-UHFFFAOYSA-N	-1	0	296.779	2.565	20	30		CFEDRM
O=C([O-])COc1ccc(C=NOC2CCCCC2)cc1	ZINC000777458917	628228202	/nfs/dbraw/zinc/22/82/02/628228202.db2.gz	KUZTULPRCUZROF-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC000779094248	628352128	/nfs/dbraw/zinc/35/21/28/628352128.db2.gz	BFMWNWLZBLRDEU-LLVKDONJSA-N	-1	0	255.264	2.659	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3c(cccc3O)C2=O)ccc1O	ZINC000779358549	628376356	/nfs/dbraw/zinc/37/63/56/628376356.db2.gz	JGQHBXCNABFHNL-UXBLZVDNSA-N	-1	0	296.278	2.618	20	30		CFEDRM
COc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000779358297	628376480	/nfs/dbraw/zinc/37/64/80/628376480.db2.gz	OSZBEJNGCJBUCZ-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3ccccc3C2=O)ccc1O	ZINC000779358860	628376495	/nfs/dbraw/zinc/37/64/95/628376495.db2.gz	XYAPLRFCHPXCIF-KPKJPENVSA-N	-1	0	280.279	2.913	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCCOC1	ZINC000779753454	628399777	/nfs/dbraw/zinc/39/97/77/628399777.db2.gz	CGOORDNPOCDTFX-GFCCVEGCSA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000780182823	628437446	/nfs/dbraw/zinc/43/74/46/628437446.db2.gz	APUWIGTWIDPTDT-IHWYPQMZSA-N	-1	0	296.735	2.729	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000780605591	628481656	/nfs/dbraw/zinc/48/16/56/628481656.db2.gz	WCKZRRRJFYPYRU-UHFFFAOYSA-N	-1	0	256.305	2.786	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000780690449	628487537	/nfs/dbraw/zinc/48/75/37/628487537.db2.gz	VGUOSWTYZVSPHX-UONOGXRCSA-N	-1	0	290.363	2.856	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000780779520	628496267	/nfs/dbraw/zinc/49/62/67/628496267.db2.gz	JIHDSVIYOLCEMW-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
O=c1[n-]c(N=NCCC[C@@H]2CCOC2)nc2ccccc21	ZINC000786035602	628931557	/nfs/dbraw/zinc/93/15/57/628931557.db2.gz	FFTXJUCCRDINDR-LLVKDONJSA-N	-1	0	286.335	2.550	20	30		CFEDRM
CC(=NNC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000786043005	628932499	/nfs/dbraw/zinc/93/24/99/628932499.db2.gz	FBQZHEMQKFRJSB-UHFFFAOYSA-N	-1	0	277.324	2.947	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NNC2CCCCC2)c1	ZINC000786043733	628932806	/nfs/dbraw/zinc/93/28/06/628932806.db2.gz	VDJKJVKOPRURRT-UHFFFAOYSA-N	-1	0	290.363	2.796	20	30		CFEDRM
CCCC(C)(C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000786470882	628959709	/nfs/dbraw/zinc/95/97/09/628959709.db2.gz	INTMSGJOSXIBQM-LLVKDONJSA-N	-1	0	275.352	2.528	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccccc2)c1	ZINC000786540071	628967294	/nfs/dbraw/zinc/96/72/94/628967294.db2.gz	GOWGYBCZCFCLFD-INIZCTEOSA-N	-1	0	292.338	2.634	20	30		CFEDRM
CC(C)[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000787700531	629027313	/nfs/dbraw/zinc/02/73/13/629027313.db2.gz	NFPCIIIQLGTZSI-BYPYZUCNSA-N	-1	0	269.160	2.590	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1coc2ccc(C(C)C)cc12	ZINC000805856743	629039990	/nfs/dbraw/zinc/03/99/90/629039990.db2.gz	AGXWAHMHSVPWBC-GFCCVEGCSA-N	-1	0	284.315	2.625	20	30		CFEDRM
CCCCC[C@H](NC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000788314798	629057862	/nfs/dbraw/zinc/05/78/62/629057862.db2.gz	KFNSSMCQEOKYBY-ZDUSSCGKSA-N	-1	0	289.335	2.713	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cn2ccccc2n1	ZINC000788407268	629064428	/nfs/dbraw/zinc/06/44/28/629064428.db2.gz	CYYGYXOKSCCKNQ-UHFFFAOYSA-N	-1	0	294.314	2.869	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC23CCCC3)nc1	ZINC000788721694	629094806	/nfs/dbraw/zinc/09/48/06/629094806.db2.gz	HMVAXCIKEXFKFT-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOCC(F)(F)F)c2ccccc21	ZINC000789037884	629119895	/nfs/dbraw/zinc/11/98/95/629119895.db2.gz	MQLFRQLSNFSMBS-SNVBAGLBSA-N	-1	0	287.237	2.932	20	30		CFEDRM
N#CCOc1cccc(/C=C\c2cc(C(=O)[O-])ccn2)c1	ZINC000789149417	629129665	/nfs/dbraw/zinc/12/96/65/629129665.db2.gz	YLVQAPYCXGHRHR-PLNGDYQASA-N	-1	0	280.283	2.853	20	30		CFEDRM
Cc1cccnc1N=NCc1cccc(OCCC(=O)[O-])c1	ZINC000790187252	629217421	/nfs/dbraw/zinc/21/74/21/629217421.db2.gz	VUCBETFQKLOFDJ-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccsc1C	ZINC000835055956	629359685	/nfs/dbraw/zinc/35/96/85/629359685.db2.gz	CCOHQSTWHPQEPG-LBPRGKRZSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CC[C@H](NN=C(C)[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC000793054784	629480675	/nfs/dbraw/zinc/48/06/75/629480675.db2.gz	GYXPQASFKSSLFH-YGRLFVJLSA-N	-1	0	278.352	2.627	20	30		CFEDRM
CC[C@H](NN=C[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000793055767	629480726	/nfs/dbraw/zinc/48/07/26/629480726.db2.gz	BXVFBZHMJQEKGZ-OCCSQVGLSA-N	-1	0	260.337	2.545	20	30		CFEDRM
CC[C@@H](NN=Cc1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-]	ZINC000793054216	629480811	/nfs/dbraw/zinc/48/08/11/629480811.db2.gz	DBPWXAXIHSZPLV-GFCCVEGCSA-N	-1	0	293.754	2.916	20	30		CFEDRM
CC[C@@H](NN=Cc1c(OC)ccc2ccccc21)C(=O)[O-]	ZINC000793055576	629480910	/nfs/dbraw/zinc/48/09/10/629480910.db2.gz	ALRROUYHEOLWJS-CQSZACIVSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@@H](NN=C1CCCc2c(C)ccc(C)c21)C(=O)[O-]	ZINC000793055225	629480962	/nfs/dbraw/zinc/48/09/62/629480962.db2.gz	JZOOOIGICLNOAV-CYBMUJFWSA-N	-1	0	274.364	2.797	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000793071511	629482751	/nfs/dbraw/zinc/48/27/51/629482751.db2.gz	KMKLFMXBBCQCPF-NSHDSACASA-N	-1	0	260.293	2.610	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H](C)CC[C@@H]1C(C)C)C(=O)[O-]	ZINC000793071481	629482913	/nfs/dbraw/zinc/48/29/13/629482913.db2.gz	JPUYVGPIBKGVEZ-IJLUTSLNSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@H](NN=Cc1c(C)cc(Cl)cc1C)C(=O)[O-]	ZINC000793071043	629483007	/nfs/dbraw/zinc/48/30/07/629483007.db2.gz	CDUVPMKKABQBKP-LBPRGKRZSA-N	-1	0	268.744	2.744	20	30		CFEDRM
CC[C@H](NN=Cc1cc(C)cc(Br)c1)C(=O)[O-]	ZINC000793073417	629483787	/nfs/dbraw/zinc/48/37/87/629483787.db2.gz	UXQNTSFOTXPEFH-NSHDSACASA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H](C(C)C)c2ccccc21)C(=O)[O-]	ZINC000793077903	629484140	/nfs/dbraw/zinc/48/41/40/629484140.db2.gz	JMEXIPVOJQKXKQ-ZIAGYGMSSA-N	-1	0	274.364	2.987	20	30		CFEDRM
CC[C@@H](NN=C(C)Cc1nc2ccccc2s1)C(=O)[O-]	ZINC000793077174	629484268	/nfs/dbraw/zinc/48/42/68/629484268.db2.gz	BANWYBUOFWJFST-SNVBAGLBSA-N	-1	0	291.376	2.668	20	30		CFEDRM
CC[C@H](NN=C(C)c1sc(C(C)(C)C)nc1C)C(=O)[O-]	ZINC000793077763	629484530	/nfs/dbraw/zinc/48/45/30/629484530.db2.gz	HZWUYBKEGMIXCO-JTQLQIEISA-N	-1	0	297.424	2.926	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1ccc(Cl)cc1	ZINC000793079904	629484560	/nfs/dbraw/zinc/48/45/60/629484560.db2.gz	UVLBCZFFCYSVSW-LBPRGKRZSA-N	-1	0	268.744	2.907	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1)C(=O)[O-]	ZINC000793115126	629489323	/nfs/dbraw/zinc/48/93/23/629489323.db2.gz	KNOLASSXLQTURQ-NEPJUHHUSA-N	-1	0	292.379	2.897	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NN[C@H](C)C(C)(C)C)cc1)C(=O)[O-]	ZINC000793115135	629489379	/nfs/dbraw/zinc/48/93/79/629489379.db2.gz	KNOLASSXLQTURQ-VXGBXAGGSA-N	-1	0	292.379	2.897	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cccc(OCC(=O)[O-])c1	ZINC000793147057	629493056	/nfs/dbraw/zinc/49/30/56/629493056.db2.gz	YDPCCFPXZNMWRY-LLVKDONJSA-N	-1	0	265.309	2.547	20	30		CFEDRM
CC[C@H](C)CON=C(C)c1cccc(OCC(=O)[O-])c1	ZINC000793163984	629495818	/nfs/dbraw/zinc/49/58/18/629495818.db2.gz	ORXPQQNTQBFDHZ-NSHDSACASA-N	-1	0	279.336	2.937	20	30		CFEDRM
CCC(N=Nc1ncncc1F)c1ccc(C(=O)[O-])cc1	ZINC000793211464	629505314	/nfs/dbraw/zinc/50/53/14/629505314.db2.gz	MNAIJPKKSJGWKM-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
Cc1cnn(C)c1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000794699049	629676679	/nfs/dbraw/zinc/67/66/79/629676679.db2.gz	CXBVYAFKAZEOKW-GQCTYLIASA-N	-1	0	276.723	2.984	20	30		CFEDRM
CCC(CC)CNN=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794930982	629706273	/nfs/dbraw/zinc/70/62/73/629706273.db2.gz	OALTUSUGLIHJPF-GFCCVEGCSA-N	-1	0	292.379	2.898	20	30		CFEDRM
C[C@H](Oc1ccc(C=NNC2CCCCC2)cc1)C(=O)[O-]	ZINC000794932337	629706294	/nfs/dbraw/zinc/70/62/94/629706294.db2.gz	DYNAAEKBDUUUNY-LBPRGKRZSA-N	-1	0	290.363	2.795	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1	ZINC000835450440	629734369	/nfs/dbraw/zinc/73/43/69/629734369.db2.gz	ZWNWHIJSJIIMLS-FRRDWIJNSA-N	-1	0	299.436	2.613	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1	ZINC000796789176	629967701	/nfs/dbraw/zinc/96/77/01/629967701.db2.gz	MQEDSNLOCVCGEI-ZDUSSCGKSA-N	-1	0	290.388	2.828	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1CC	ZINC000797188258	630034772	/nfs/dbraw/zinc/03/47/72/630034772.db2.gz	ZTXAWMCFQKGIKP-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000798900818	630256380	/nfs/dbraw/zinc/25/63/80/630256380.db2.gz	UMLKPUMLPKRCRG-CYBMUJFWSA-N	-1	0	295.404	2.543	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)[N-]OCc1ccccc1OC	ZINC000799096295	630275238	/nfs/dbraw/zinc/27/52/38/630275238.db2.gz	GUDZDRMCBNFNKR-HNNXBMFYSA-N	-1	0	263.337	2.845	20	30		CFEDRM
COc1cc(F)cc(NN=Cc2cc(C(=O)[O-])c(C)[nH]2)c1	ZINC000800814587	630407441	/nfs/dbraw/zinc/40/74/41/630407441.db2.gz	YFBAAYVAMGZIQI-UHFFFAOYSA-N	-1	0	291.282	2.615	20	30		CFEDRM
Cc1[nH]c(C=NNc2cccc(F)c2F)cc1C(=O)[O-]	ZINC000800813918	630407567	/nfs/dbraw/zinc/40/75/67/630407567.db2.gz	MKDASOWMIWRRIF-UHFFFAOYSA-N	-1	0	279.246	2.746	20	30		CFEDRM
Cc1[nH]c(C=NNc2cc(C)ccc2F)cc1C(=O)[O-]	ZINC000800814359	630407649	/nfs/dbraw/zinc/40/76/49/630407649.db2.gz	UDVSNHLDGZERIR-UHFFFAOYSA-N	-1	0	275.283	2.915	20	30		CFEDRM
COc1cc(F)ccc1NN=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800816252	630408435	/nfs/dbraw/zinc/40/84/35/630408435.db2.gz	GRMXFCMFQGRWBH-UHFFFAOYSA-N	-1	0	291.282	2.615	20	30		CFEDRM
CC(C)C(Cn1cccn1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000802703690	630538779	/nfs/dbraw/zinc/53/87/79/630538779.db2.gz	IVFWZPQDORYYBB-UHFFFAOYSA-N	-1	0	286.335	2.705	20	30		CFEDRM
CCn1nccc1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806561321	630811991	/nfs/dbraw/zinc/81/19/91/630811991.db2.gz	UHHPFORGLZTMGE-KLQCNHIUSA-N	-1	0	296.326	2.741	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C1\Cc2c(ccc([O-])c2F)C1=O	ZINC000806574690	630815011	/nfs/dbraw/zinc/81/50/11/630815011.db2.gz	FWWMCXMFDMSQOE-FNORWQNLSA-N	-1	0	292.697	2.741	20	30		CFEDRM
C=CCNC(=S)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000806599622	630820810	/nfs/dbraw/zinc/82/08/10/630820810.db2.gz	VIBFGUYNNDAOQB-UHFFFAOYSA-N	-1	0	291.203	2.849	20	30		CFEDRM
CCCCCCC[C@H](CC(=O)[O-])NC(=O)N(C)CC	ZINC000806637767	630825561	/nfs/dbraw/zinc/82/55/61/630825561.db2.gz	ULTZJURYXOCNQH-GFCCVEGCSA-N	-1	0	272.389	2.852	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(C)(C)C	ZINC000807881421	630918054	/nfs/dbraw/zinc/91/80/54/630918054.db2.gz	JSBGVMDAGDYERI-GFCCVEGCSA-N	-1	0	288.372	2.894	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@@H]1SC	ZINC000807957890	630926228	/nfs/dbraw/zinc/92/62/28/630926228.db2.gz	BSDJLDATKNXHSZ-STQMWFEESA-N	-1	0	294.376	2.693	20	30		CFEDRM
CC[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000807982112	630929720	/nfs/dbraw/zinc/92/97/20/630929720.db2.gz	RYMLDRZSSXCXJC-VIFPVBQESA-N	-1	0	262.309	2.981	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cccc(C(C)C)c1	ZINC000837045105	630943966	/nfs/dbraw/zinc/94/39/66/630943966.db2.gz	XFSPPHOZIMXXNK-LBPRGKRZSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1F	ZINC000837047604	630945261	/nfs/dbraw/zinc/94/52/61/630945261.db2.gz	CEZPLLUQSJUTMV-UHFFFAOYSA-N	-1	0	271.719	2.991	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc(Cl)c1	ZINC000837047285	630945529	/nfs/dbraw/zinc/94/55/29/630945529.db2.gz	DCQAUDDYFGJATP-UHFFFAOYSA-N	-1	0	253.729	2.851	20	30		CFEDRM
C=CCCCCOC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000837372096	631015596	/nfs/dbraw/zinc/01/55/96/631015596.db2.gz	BUJHIKOXCBZVGU-UHFFFAOYSA-N	-1	0	297.376	2.571	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2COc3ccccc32)c1	ZINC000809144492	631088337	/nfs/dbraw/zinc/08/83/37/631088337.db2.gz	NSTUXBLAWAMROP-VQGSWFTOSA-N	-1	0	298.298	2.896	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000837888046	631147960	/nfs/dbraw/zinc/14/79/60/631147960.db2.gz	BJWGPGSANXSDDY-UHFFFAOYSA-N	-1	0	289.360	2.786	20	30		CFEDRM
CC(C)(O)C(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840711001	631175950	/nfs/dbraw/zinc/17/59/50/631175950.db2.gz	UDBOOLKUDIJGPW-OVCLIPMQSA-N	-1	0	280.324	2.516	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1C	ZINC000042274097	649997405	/nfs/dbraw/zinc/99/74/05/649997405.db2.gz	KZXBDCMKXHACLY-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccsc1	ZINC000042242258	649996839	/nfs/dbraw/zinc/99/68/39/649996839.db2.gz	QLCOVGATRPNCIX-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CCCCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000840983693	631294549	/nfs/dbraw/zinc/29/45/49/631294549.db2.gz	OKDMSEBVVCRSKN-ZDUSSCGKSA-N	-1	0	284.400	2.853	20	30		CFEDRM
Cc1ccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)cc2c1	ZINC000810533244	631383222	/nfs/dbraw/zinc/38/32/22/631383222.db2.gz	ZMAQATUSGSZYAN-LBPRGKRZSA-N	-1	0	298.367	2.811	20	30		CFEDRM
CC(CCCCC#N)N=Nc1ccc(C(=O)[O-])cn1	ZINC000841633118	631437740	/nfs/dbraw/zinc/43/77/40/631437740.db2.gz	ROAKCQPWZMFDDA-UHFFFAOYSA-N	-1	0	260.297	2.652	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCC(C)(C)C2)CC1	ZINC000810985921	631491181	/nfs/dbraw/zinc/49/11/81/631491181.db2.gz	KUZKMNCCPVWQHN-LBPRGKRZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC(C)(C)C2)CC1	ZINC000810985920	631491491	/nfs/dbraw/zinc/49/14/91/631491491.db2.gz	KUZKMNCCPVWQHN-GFCCVEGCSA-N	-1	0	299.436	2.758	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NOC/C=C\Cl)c1	ZINC000811669625	631603637	/nfs/dbraw/zinc/60/36/37/631603637.db2.gz	RMAYZILHOBZOOB-PYGLNSRESA-N	-1	0	283.711	2.643	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811821968	631628289	/nfs/dbraw/zinc/62/82/89/631628289.db2.gz	XDTLQIDHJRUXTF-MRVPVSSYSA-N	-1	0	267.712	2.733	20	30		CFEDRM
CC(=NNC12CC(C1)C2)[C@@H](C)CCCCC(=O)[O-]	ZINC000842543015	631659341	/nfs/dbraw/zinc/65/93/41/631659341.db2.gz	AYSWSIUUNDVBLP-JKDOVBDQSA-N	-1	0	252.358	2.786	20	30		CFEDRM
COc1ccc(F)cc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000812222279	631669910	/nfs/dbraw/zinc/66/99/10/631669910.db2.gz	KAZKNMFOVMMERN-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
Cn1cc(C=NNc2ccccc2C(=O)[O-])c(C(F)F)n1	ZINC000812225109	631670185	/nfs/dbraw/zinc/67/01/85/631670185.db2.gz	REEKLMWPJJWLFT-UHFFFAOYSA-N	-1	0	294.261	2.502	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCCOC(C)C)CCC2	ZINC000812239043	631676452	/nfs/dbraw/zinc/67/64/52/631676452.db2.gz	LNGXBZRRMPGKSR-UHFFFAOYSA-N	-1	0	295.335	2.768	20	30		CFEDRM
COc1cccc(O)c1C=NNc1ccccc1C(=O)[O-]	ZINC000812489843	631726039	/nfs/dbraw/zinc/72/60/39/631726039.db2.gz	HCHSNOOENOTVJT-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
C#Cc1cncc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])c1	ZINC000812707512	631762389	/nfs/dbraw/zinc/76/23/89/631762389.db2.gz	KTLOMTXUWKAJCN-UHFFFAOYSA-N	-1	0	294.310	2.614	20	30		CFEDRM
CO[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])CC(C)C	ZINC000841481980	631917397	/nfs/dbraw/zinc/91/73/97/631917397.db2.gz	HRXXNIJOTHRJLZ-ATDKOCKZSA-N	-1	0	280.324	2.780	20	30		CFEDRM
C=CCC(C)(C)COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000814004304	631991540	/nfs/dbraw/zinc/99/15/40/631991540.db2.gz	KPVLBNYBOZZIQS-UHFFFAOYSA-N	-1	0	295.301	2.589	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2CC3(CCC3)C2)c1	ZINC000843842199	632066181	/nfs/dbraw/zinc/06/61/81/632066181.db2.gz	HIIGHUQHYYQELZ-UHFFFAOYSA-N	-1	0	256.305	2.783	20	30		CFEDRM
C#CC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000844047796	632103143	/nfs/dbraw/zinc/10/31/43/632103143.db2.gz	XVPKWGRWNNVXLY-UHFFFAOYSA-N	-1	0	281.714	2.670	20	30		CFEDRM
Cc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1O	ZINC000814681046	632106994	/nfs/dbraw/zinc/10/69/94/632106994.db2.gz	URDXRWFBDIKRSF-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1CC(=O)[O-]	ZINC000814682007	632108017	/nfs/dbraw/zinc/10/80/17/632108017.db2.gz	FHIBWLIHKZWJLI-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
Cc1c[nH]nc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689965	632108907	/nfs/dbraw/zinc/10/89/07/632108907.db2.gz	OAMICQWVBUEWBM-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
COc1ccc(F)c(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000814687814	632108965	/nfs/dbraw/zinc/10/89/65/632108965.db2.gz	VGPFIMBXQGOBNN-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Cl)o1	ZINC000814723460	632114496	/nfs/dbraw/zinc/11/44/96/632114496.db2.gz	GJQRTHPFRWGFAV-UHFFFAOYSA-N	-1	0	296.661	2.714	20	30		CFEDRM
C[C@H]1C(=NNCc2ccccc2)CC[C@@H]1CC(=O)[O-]	ZINC000814751893	632118105	/nfs/dbraw/zinc/11/81/05/632118105.db2.gz	VUSQUDDAXBJHRC-DGCLKSJQSA-N	-1	0	260.337	2.653	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814763788	632120019	/nfs/dbraw/zinc/12/00/19/632120019.db2.gz	LNTRZCCYJHPLRQ-CMPLNLGQSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCCCNN=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000814806160	632128316	/nfs/dbraw/zinc/12/83/16/632128316.db2.gz	XRDUYYGOIWPHOS-UHFFFAOYSA-N	-1	0	292.379	2.848	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCc2ccc(F)c(F)c2)c1	ZINC000814808824	632129733	/nfs/dbraw/zinc/12/97/33/632129733.db2.gz	TTWRDHUZQPUUFN-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2Cl)nn1	ZINC000814840331	632135882	/nfs/dbraw/zinc/13/58/82/632135882.db2.gz	JCKODVWMUFQCJX-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
C[C@H]1C(N=Nc2ccnc3ccccc23)CC[C@H]1CC(=O)[O-]	ZINC000814841216	632136283	/nfs/dbraw/zinc/13/62/83/632136283.db2.gz	HBBNJDPNRCFRQD-NEPJUHHUSA-N	-1	0	297.358	2.945	20	30		CFEDRM
C[C@@H]1C(N=Nc2cnnc3ccccc23)CC[C@H]1CC(=O)[O-]	ZINC000814849480	632137885	/nfs/dbraw/zinc/13/78/85/632137885.db2.gz	XDTXFFHVXUHZRG-QWRGUYRKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
CC(=NN=Cc1cc(C(=O)[O-])c(C)cc1C)c1cnccn1	ZINC000814860582	632140299	/nfs/dbraw/zinc/14/02/99/632140299.db2.gz	FEAGZSBVAPNEIW-UHFFFAOYSA-N	-1	0	296.330	2.635	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1csc(C(=O)[O-])c1	ZINC000814879969	632145931	/nfs/dbraw/zinc/14/59/31/632145931.db2.gz	MCUWTQWWURYHAY-UHFFFAOYSA-N	-1	0	267.228	2.749	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCC(F)(F)F	ZINC000814879225	632146162	/nfs/dbraw/zinc/14/61/62/632146162.db2.gz	AWQCYDAIDDZIQP-UHFFFAOYSA-N	-1	0	275.226	2.914	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H](C)CC#N	ZINC000814883346	632147550	/nfs/dbraw/zinc/14/75/50/632147550.db2.gz	JZISWYRPDGIADR-LBPRGKRZSA-N	-1	0	253.346	2.679	20	30		CFEDRM
CCSCCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000814887618	632149852	/nfs/dbraw/zinc/14/98/52/632149852.db2.gz	UQRLKKLPPWTGPN-UHFFFAOYSA-N	-1	0	268.338	2.544	20	30		CFEDRM
Nc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCC2	ZINC000814890767	632151223	/nfs/dbraw/zinc/15/12/23/632151223.db2.gz	YUMMDZHQMADJEA-UHFFFAOYSA-N	-1	0	296.330	2.515	20	30		CFEDRM
CC(C)CNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814892033	632151688	/nfs/dbraw/zinc/15/16/88/632151688.db2.gz	GYVSWGQDNVRMBX-UHFFFAOYSA-N	-1	0	254.717	2.618	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccnc(F)c2)C1	ZINC000814902195	632156522	/nfs/dbraw/zinc/15/65/22/632156522.db2.gz	IEUNFHODIQASDD-UHFFFAOYSA-N	-1	0	299.305	2.805	20	30		CFEDRM
COc1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1Cl	ZINC000814902424	632156708	/nfs/dbraw/zinc/15/67/08/632156708.db2.gz	NABHEMOMSZOBAU-UHFFFAOYSA-N	-1	0	293.710	2.821	20	30		CFEDRM
C[C@@H]1C(=NOC2CCOCC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814906019	632158173	/nfs/dbraw/zinc/15/81/73/632158173.db2.gz	CKMQIUAMHFGLLH-PWSUYJOCSA-N	-1	0	283.368	2.695	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CC1	ZINC000814905193	632158204	/nfs/dbraw/zinc/15/82/04/632158204.db2.gz	RMWAOSZCIRQGQI-UHFFFAOYSA-N	-1	0	295.270	2.777	20	30		CFEDRM
COc1ccc(NN=Cc2cc(C(=O)[O-])c(C)cc2C)nc1	ZINC000814908075	632159192	/nfs/dbraw/zinc/15/91/92/632159192.db2.gz	HCLNKRGGHZKQMQ-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
CC(N=Nc1ncncc1Cl)c1csc(C(=O)[O-])c1	ZINC000814909217	632159721	/nfs/dbraw/zinc/15/97/21/632159721.db2.gz	JQXOKPJHUVIWCT-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
CC[C@H](C)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814912837	632162399	/nfs/dbraw/zinc/16/23/99/632162399.db2.gz	BXHXLUOICUZWKA-HBNTYKKESA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@@H](C)NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814913597	632162405	/nfs/dbraw/zinc/16/24/05/632162405.db2.gz	QUXUELKMVUNCIK-MRVPVSSYSA-N	-1	0	254.717	2.760	20	30		CFEDRM
CC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814912831	632162705	/nfs/dbraw/zinc/16/27/05/632162705.db2.gz	BXHXLUOICUZWKA-AXFHLTTASA-N	-1	0	254.374	2.887	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCCC(F)(F)F	ZINC000814920212	632165266	/nfs/dbraw/zinc/16/52/66/632165266.db2.gz	FGZJBLFWVYYTSU-UHFFFAOYSA-N	-1	0	288.269	2.878	20	30		CFEDRM
CSCCON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814921852	632165973	/nfs/dbraw/zinc/16/59/73/632165973.db2.gz	GQOLDSNVEGIHGG-NSHDSACASA-N	-1	0	297.376	2.642	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC[C@@H]2CCSC2)c1Cl	ZINC000814934908	632172843	/nfs/dbraw/zinc/17/28/43/632172843.db2.gz	DWJXFJMSYUXYIB-VIFPVBQESA-N	-1	0	298.795	2.715	20	30		CFEDRM
CC(=NNC[C@@H]1CCSC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814934703	632172911	/nfs/dbraw/zinc/17/29/11/632172911.db2.gz	CDTRSIYKTPOSFU-XQQFMLRXSA-N	-1	0	298.452	2.842	20	30		CFEDRM
CC(C)OCCON=Cc1cc(Cl)c(F)cc1[O-]	ZINC000814936865	632173614	/nfs/dbraw/zinc/17/36/14/632173614.db2.gz	MKUNTVRTGQOPKW-UHFFFAOYSA-N	-1	0	275.707	2.960	20	30		CFEDRM
CC(=NOCCOC(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814937203	632174170	/nfs/dbraw/zinc/17/41/70/632174170.db2.gz	XZEJBMFIEHGJCY-OLZOCXBDSA-N	-1	0	285.384	2.941	20	30		CFEDRM
CC(C)OCCON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814937046	632174331	/nfs/dbraw/zinc/17/43/31/632174331.db2.gz	SDBAXCBMWMMGOW-UHFFFAOYSA-N	-1	0	291.347	2.671	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncncc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814939935	632175135	/nfs/dbraw/zinc/17/51/35/632175135.db2.gz	JQOZYWXIOIDXSA-RKDXNWHRSA-N	-1	0	294.330	2.541	20	30		CFEDRM
CC(C)c1ccc2c(c1)C(=NNCC(=O)[O-])CCC2	ZINC000814958958	632179630	/nfs/dbraw/zinc/17/96/30/632179630.db2.gz	BXQBUDNFENBBSK-UHFFFAOYSA-N	-1	0	260.337	2.525	20	30		CFEDRM
O=C([O-])CNN=Cc1c2ccccc2[nH]c1-c1ccccc1	ZINC000814959222	632179662	/nfs/dbraw/zinc/17/96/62/632179662.db2.gz	UTVCOQUUSHVHTA-UHFFFAOYSA-N	-1	0	293.326	2.843	20	30		CFEDRM
CC(=NNCC(=O)[O-])C1(c2ccccc2)CCCC1	ZINC000814958918	632180086	/nfs/dbraw/zinc/18/00/86/632180086.db2.gz	ZVFABUYBMYDUAZ-UHFFFAOYSA-N	-1	0	260.337	2.549	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(-c2cccs2)cc1	ZINC000814961227	632180418	/nfs/dbraw/zinc/18/04/18/632180418.db2.gz	YPQACZWQFIJDQO-UHFFFAOYSA-N	-1	0	274.345	2.813	20	30		CFEDRM
O=C([O-])CNN=C(Cc1ccccc1Cl)c1ccoc1	ZINC000814960224	632180505	/nfs/dbraw/zinc/18/05/05/632180505.db2.gz	IKQMEASOHCKBCQ-UHFFFAOYSA-N	-1	0	292.722	2.554	20	30		CFEDRM
Cc1c(N=NC2COC(C)(C)C2)cccc1C(=O)[O-]	ZINC000844623322	632266920	/nfs/dbraw/zinc/26/69/20/632266920.db2.gz	MATLXRQZKMNCQY-UHFFFAOYSA-N	-1	0	262.309	2.660	20	30		CFEDRM
C=C[C@H](C)ONC(=O)Nc1nc(CC(F)(F)F)cs1	ZINC000844691520	632284522	/nfs/dbraw/zinc/28/45/22/632284522.db2.gz	HVCUNTLHYBZAHE-LURJTMIESA-N	-1	0	295.286	2.876	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)[N-]c1nonc1C	ZINC000844824466	632317876	/nfs/dbraw/zinc/31/78/76/632317876.db2.gz	AWXJNMGNEPMESF-UHFFFAOYSA-N	-1	0	289.401	2.870	20	30		CFEDRM
C#CCN(CC#CC)Cc1cc(Cl)c(F)cc1[O-]	ZINC000816513275	632475227	/nfs/dbraw/zinc/47/52/27/632475227.db2.gz	LPFMCVXHRCOAIO-UHFFFAOYSA-N	-1	0	265.715	2.643	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000816802896	632524437	/nfs/dbraw/zinc/52/44/37/632524437.db2.gz	CMQLNBOCQOTVRJ-UHFFFAOYSA-N	-1	0	287.344	2.658	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845837325	632577549	/nfs/dbraw/zinc/57/75/49/632577549.db2.gz	HKYQYDNTRIQOPO-ZDUSSCGKSA-N	-1	0	294.310	2.606	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1cscn1	ZINC000845839707	632577559	/nfs/dbraw/zinc/57/75/59/632577559.db2.gz	WBBHHGDXWWEBLI-LBPRGKRZSA-N	-1	0	296.351	2.766	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1	ZINC000846157604	632649446	/nfs/dbraw/zinc/64/94/46/632649446.db2.gz	VRIXTPFSPTWKSK-SNVBAGLBSA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)[C@@H]1OCCc2sccc21	ZINC000846534301	632723958	/nfs/dbraw/zinc/72/39/58/632723958.db2.gz	OYQUKJVAZRKRGJ-GWCFXTLKSA-N	-1	0	281.377	2.622	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000846540108	632728547	/nfs/dbraw/zinc/72/85/47/632728547.db2.gz	NAONLRKYEOTYLF-NSHDSACASA-N	-1	0	281.739	2.515	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000846543231	632731633	/nfs/dbraw/zinc/73/16/33/632731633.db2.gz	MRMRKLGHVYZKMG-GXSJLCMTSA-N	-1	0	281.739	2.513	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccccc1C(C)(C)C	ZINC000846543300	632731746	/nfs/dbraw/zinc/73/17/46/632731746.db2.gz	NJYSXFDPLNGOHE-GFCCVEGCSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Oc1cccc(C)c1	ZINC000846545007	632732858	/nfs/dbraw/zinc/73/28/58/632732858.db2.gz	DJFDBHLWVOVNPU-JSGCOSHPSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1C	ZINC000846544714	632733245	/nfs/dbraw/zinc/73/32/45/632733245.db2.gz	BYALHYBKOVHXFQ-STQMWFEESA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12	ZINC000846547022	632735426	/nfs/dbraw/zinc/73/54/26/632735426.db2.gz	AOXBKSQLICXGFG-NWDGAFQWSA-N	-1	0	272.348	2.904	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CCc2c1cccc2Cl	ZINC000846547099	632735593	/nfs/dbraw/zinc/73/55/93/632735593.db2.gz	AYURZGUXLJKOLM-SKDRFNHKSA-N	-1	0	265.740	2.992	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cccc(C(C)C)c1	ZINC000846548178	632736539	/nfs/dbraw/zinc/73/65/39/632736539.db2.gz	CXTLQNPREFQZGQ-GFCCVEGCSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CCCC)ON=C(C)C	ZINC000846549473	632737339	/nfs/dbraw/zinc/73/73/39/632737339.db2.gz	NWRGVHKDWIMOEO-NEPJUHHUSA-N	-1	0	256.346	2.580	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000818618025	632881040	/nfs/dbraw/zinc/88/10/40/632881040.db2.gz	IKHKWHDPWCWAAT-CYBMUJFWSA-N	-1	0	288.347	2.920	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@H]2CC23CC3)c1[O-]	ZINC000818992462	632925441	/nfs/dbraw/zinc/92/54/41/632925441.db2.gz	QMSSAKYSIFAWQL-PJJXNUOTSA-N	-1	0	266.684	2.925	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CCCC)C(C)C	ZINC000856924895	635885311	/nfs/dbraw/zinc/88/53/11/635885311.db2.gz	IIHWGHWLUZWWDC-GFCCVEGCSA-N	-1	0	255.358	2.548	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CCCSC2)cc1	ZINC000848413616	633252443	/nfs/dbraw/zinc/25/24/43/633252443.db2.gz	ACQGENJDXODVOJ-LBPRGKRZSA-N	-1	0	278.377	2.855	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@]1(C)CCCO1	ZINC000848414728	633253113	/nfs/dbraw/zinc/25/31/13/633253113.db2.gz	RAFVKJBSUQTTFL-OAHLLOKOSA-N	-1	0	276.336	2.671	20	30		CFEDRM
CC(C)[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848415136	633253429	/nfs/dbraw/zinc/25/34/29/633253429.db2.gz	XGFNBGNVVKSPOF-OAHLLOKOSA-N	-1	0	290.363	2.917	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccc(F)c(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000848415199	633253461	/nfs/dbraw/zinc/25/34/61/633253461.db2.gz	IZGIQYSZXTUGAE-CABZTGNLSA-N	-1	0	296.317	2.931	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2cn(C3CCC3)nn2)c([O-])c1	ZINC000849247044	633589807	/nfs/dbraw/zinc/58/98/07/633589807.db2.gz	OSVQLVIPHHDQLX-SOFGYWHQSA-N	-1	0	283.331	2.913	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CF)cc1	ZINC000850754434	634080555	/nfs/dbraw/zinc/08/05/55/634080555.db2.gz	ULUJGFIXZXSLLT-CQSZACIVSA-N	-1	0	290.338	2.785	20	30		CFEDRM
C#CC1CCC(N=Nc2ccc(C(=O)[O-])cc2OC)CC1	ZINC000853325535	634969138	/nfs/dbraw/zinc/96/91/38/634969138.db2.gz	MEKOABYKXFUGKX-UHFFFAOYSA-N	-1	0	286.331	2.985	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853349989	634980752	/nfs/dbraw/zinc/98/07/52/634980752.db2.gz	NODDGXGLTLIMPP-VIFPVBQESA-N	-1	0	253.273	2.921	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000853378261	634986557	/nfs/dbraw/zinc/98/65/57/634986557.db2.gz	AZWHKGOURTXNLS-SNVBAGLBSA-N	-1	0	263.297	2.509	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000853379801	634987404	/nfs/dbraw/zinc/98/74/04/634987404.db2.gz	JYDOUHKLVSLNDL-ZDUSSCGKSA-N	-1	0	290.363	2.748	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NN2CCCC[C@H]2C)cc1)C(=O)[O-]	ZINC000853382273	634988870	/nfs/dbraw/zinc/98/88/70/634988870.db2.gz	WRAYJLIOKUPUKE-CHWSQXEVSA-N	-1	0	290.363	2.747	20	30		CFEDRM
CC(N=Nc1ccncc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000853402953	634995389	/nfs/dbraw/zinc/99/53/89/634995389.db2.gz	NQXSZTSOXKNZCW-JTQLQIEISA-N	-1	0	281.331	2.712	20	30		CFEDRM
CC(=NOCC1CCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000853440066	635000789	/nfs/dbraw/zinc/00/07/89/635000789.db2.gz	YKRBIIPNHYDIBG-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1	ZINC000855584680	635591412	/nfs/dbraw/zinc/59/14/12/635591412.db2.gz	VEIBGFADNVOMIK-QMMMGPOBSA-N	-1	0	287.344	2.633	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000856029413	635704210	/nfs/dbraw/zinc/70/42/10/635704210.db2.gz	MIUOIIJLKBPSDJ-JTQLQIEISA-N	-1	0	296.348	2.699	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000856028297	635704537	/nfs/dbraw/zinc/70/45/37/635704537.db2.gz	QDHSJJYPVCTJNV-INIZCTEOSA-N	-1	0	295.379	2.679	20	30		CFEDRM
C=CCCO[N-]C(=O)CSCc1cccc(C)c1	ZINC000856028653	635704642	/nfs/dbraw/zinc/70/46/42/635704642.db2.gz	LOAXMEHZQMIVRA-UHFFFAOYSA-N	-1	0	265.378	2.852	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cc(Cl)cc(Cl)c1	ZINC000856032427	635707919	/nfs/dbraw/zinc/70/79/19/635707919.db2.gz	KMLXEOFQCYWQTD-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](c1cccc(Cl)c1)N(C)C	ZINC000856032454	635708134	/nfs/dbraw/zinc/70/81/34/635708134.db2.gz	ODGLHKPFYRDFQV-ZDUSSCGKSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)OC1CCCCC1	ZINC000856032284	635708145	/nfs/dbraw/zinc/70/81/45/635708145.db2.gz	JNYWYUSBXKCSPI-ZDUSSCGKSA-N	-1	0	255.358	2.738	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708500	650221788	/nfs/dbraw/zinc/22/17/88/650221788.db2.gz	PAKCNMHOPRFVCS-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccccc1	ZINC000048404907	650264703	/nfs/dbraw/zinc/26/47/03/650264703.db2.gz	LQBCYIIAGBAVFT-UHFFFAOYSA-N	-1	0	279.317	2.558	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)c1cccs1	ZINC000048427847	650266029	/nfs/dbraw/zinc/26/60/29/650266029.db2.gz	ZSZXUQKCLUDXCG-UHFFFAOYSA-N	-1	0	285.346	2.619	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)c(C)o1	ZINC000048505799	650269154	/nfs/dbraw/zinc/26/91/54/650269154.db2.gz	ATABVWAQJOKMBI-UHFFFAOYSA-N	-1	0	299.373	2.960	20	30		CFEDRM
CCc1[nH]nc(Cl)c1C([O-])=C(C#N)c1nc(C)cs1	ZINC000860449725	636886685	/nfs/dbraw/zinc/88/66/85/636886685.db2.gz	GLPXSNQGOHRIAA-SSDOTTSWSA-N	-1	0	294.767	2.881	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000861924161	637256913	/nfs/dbraw/zinc/25/69/13/637256913.db2.gz	KQXALJZNOPIVCN-UHFFFAOYSA-N	-1	0	270.332	2.604	20	30		CFEDRM
C#CCCCC(C)N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000863105786	637556644	/nfs/dbraw/zinc/55/66/44/637556644.db2.gz	ACPJINBJZFGXOX-UHFFFAOYSA-N	-1	0	274.320	2.985	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@@H]1CCCCO1	ZINC000863106032	637556699	/nfs/dbraw/zinc/55/66/99/637556699.db2.gz	JMVATSBNQKCZCK-ZDUSSCGKSA-N	-1	0	292.335	2.750	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1CC(F)(F)C1	ZINC000863106360	637556781	/nfs/dbraw/zinc/55/67/81/637556781.db2.gz	XGKKBLBNLPMNGD-UHFFFAOYSA-N	-1	0	269.251	2.613	20	30		CFEDRM
Cc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)n1	ZINC000863160387	637574097	/nfs/dbraw/zinc/57/40/97/637574097.db2.gz	BVQWHKBWAHKIDR-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)n1	ZINC000863160388	637575635	/nfs/dbraw/zinc/57/56/35/637575635.db2.gz	BVQWHKBWAHKIDR-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000864178907	637904941	/nfs/dbraw/zinc/90/49/41/637904941.db2.gz	NNCBAXIAAUIHHX-CYBMUJFWSA-N	-1	0	273.332	2.874	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000864178486	637904969	/nfs/dbraw/zinc/90/49/69/637904969.db2.gz	BJFMKNXBWHWDQQ-DJYGCBNOSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000864183163	637906347	/nfs/dbraw/zinc/90/63/47/637906347.db2.gz	CSAXAWUOJMKKKM-SRVKXCTJSA-N	-1	0	299.798	2.937	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864184562	637907288	/nfs/dbraw/zinc/90/72/88/637907288.db2.gz	ORGZYHWZDCDAJQ-MFKMUULPSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000864185055	637907320	/nfs/dbraw/zinc/90/73/20/637907320.db2.gz	SFTQUKZFCYDDJY-GXFFZTMASA-N	-1	0	295.766	2.577	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000864185795	637907397	/nfs/dbraw/zinc/90/73/97/637907397.db2.gz	CHEWXBPDNVQXRA-GHMZBOCLSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)SCCCC)C(=O)[O-]	ZINC000864185106	637907770	/nfs/dbraw/zinc/90/77/70/637907770.db2.gz	SWAZBXSGCAHJFE-NXEZZACHSA-N	-1	0	293.816	2.620	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C(C)C)cn1)C(=O)[O-]	ZINC000864186352	637908054	/nfs/dbraw/zinc/90/80/54/637908054.db2.gz	NQGZEPZPLSKQKN-LBPRGKRZSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)c1cccc(F)c1)C(=O)[O-]	ZINC000864186963	637908186	/nfs/dbraw/zinc/90/81/86/637908186.db2.gz	AVZZJWIYHPYHIR-ZHZWZMEUSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000864187237	637908376	/nfs/dbraw/zinc/90/83/76/637908376.db2.gz	HGFCVUYHYNJCTD-HIJJYWJESA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000864186497	637908473	/nfs/dbraw/zinc/90/84/73/637908473.db2.gz	QVHSMCXGOPITNZ-BPCQOVAHSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000864187075	637908618	/nfs/dbraw/zinc/90/86/18/637908618.db2.gz	CZWLQXNUDWYEPC-LJTDUEICSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864186108	637908757	/nfs/dbraw/zinc/90/87/57/637908757.db2.gz	JEYOLLXBLABXQZ-ZDUSSCGKSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1coc(C(F)F)c1)C(=O)[O-]	ZINC000864187646	637909300	/nfs/dbraw/zinc/90/93/00/637909300.db2.gz	ANIQUPJOGOKKOD-ZETCQYMHSA-N	-1	0	293.653	2.543	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)c1cccs1)C(=O)[O-]	ZINC000864188243	637909621	/nfs/dbraw/zinc/90/96/21/637909621.db2.gz	RLBQOWQOAFPNQF-HIJJYWJESA-N	-1	0	279.361	2.687	20	30		CFEDRM
CC1(C)CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])O1	ZINC000189354180	650377013	/nfs/dbraw/zinc/37/70/13/650377013.db2.gz	LZPXDPNPNHDGBS-AAWHYMEISA-N	-1	0	278.308	2.677	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@@H]2CCCOC2)c1	ZINC000864344531	637946033	/nfs/dbraw/zinc/94/60/33/637946033.db2.gz	AMUWAYKIXYWZLY-ZRRZQRFHSA-N	-1	0	278.308	2.536	20	30		CFEDRM
CCC(F)(F)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000864345685	637946889	/nfs/dbraw/zinc/94/68/89/637946889.db2.gz	CSZLAAAFJWCENW-MKMNVTDBSA-N	-1	0	258.224	2.765	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)O1	ZINC000864347022	637947594	/nfs/dbraw/zinc/94/75/94/637947594.db2.gz	IOKUFLLNXIKJQB-MPYYESINSA-N	-1	0	298.726	2.939	20	30		CFEDRM
C=C(C)C[C@H](NCc1nc2ccccc2n1CC)C(=O)[O-]	ZINC000864529538	638013630	/nfs/dbraw/zinc/01/36/30/638013630.db2.gz	JDUJDZURQVHNCU-ZDUSSCGKSA-N	-1	0	287.363	2.565	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000864583431	638032870	/nfs/dbraw/zinc/03/28/70/638032870.db2.gz	SKZMRHDTILMYFN-MRVPVSSYSA-N	-1	0	288.756	2.774	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000864585153	638034212	/nfs/dbraw/zinc/03/42/12/638034212.db2.gz	RVMBNVDTTJBQHM-VIFPVBQESA-N	-1	0	288.756	2.774	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000864603586	638041355	/nfs/dbraw/zinc/04/13/55/638041355.db2.gz	CCLHOBNFVYXHPR-BETUJISGSA-N	-1	0	288.347	2.790	20	30		CFEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000076766096	650402026	/nfs/dbraw/zinc/40/20/26/650402026.db2.gz	KNAZOYQETMDSAI-UHFFFAOYSA-N	-1	0	267.350	2.663	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000076766052	650402185	/nfs/dbraw/zinc/40/21/85/650402185.db2.gz	SBIWTUAGEZLIAM-NSHDSACASA-N	-1	0	269.366	2.909	20	30		CFEDRM
C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1cccc(C#N)c1[O-]	ZINC000866340769	638799368	/nfs/dbraw/zinc/79/93/68/638799368.db2.gz	LZJTUSQYZPVUGS-FZMZJTMJSA-N	-1	0	286.331	2.631	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])CC(C)C)c1ccccc1	ZINC000190716254	650455033	/nfs/dbraw/zinc/45/50/33/650455033.db2.gz	PUTLNTQODCOUKF-CQSZACIVSA-N	-1	0	289.375	2.916	20	30		CFEDRM
O=C1c2cccc(O)c2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000207543318	638987906	/nfs/dbraw/zinc/98/79/06/638987906.db2.gz	NYIQKNBMDGYWPP-UXBLZVDNSA-N	-1	0	297.266	2.828	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC=CC1	ZINC000077940216	650464607	/nfs/dbraw/zinc/46/46/07/650464607.db2.gz	IJWZAMSFTONIJN-UHFFFAOYSA-N	-1	0	285.752	2.951	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(-c2ccoc2)c1	ZINC000191258258	650485853	/nfs/dbraw/zinc/48/58/53/650485853.db2.gz	SYXUBKVLKSVHDC-UHFFFAOYSA-N	-1	0	285.299	2.659	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Cc1ccc(CC(C)C)cc1	ZINC000191266071	650486865	/nfs/dbraw/zinc/48/68/65/650486865.db2.gz	YQSUCRZXDRVWSO-UHFFFAOYSA-N	-1	0	289.375	2.527	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2cn(C(C)(C)C)nn2)c([O-])c1	ZINC000191320332	650490006	/nfs/dbraw/zinc/49/00/06/650490006.db2.gz	LFBRIEWVRDAVHV-SOFGYWHQSA-N	-1	0	285.347	2.943	20	30		CFEDRM
CC(C)(C(=O)[N-]Oc1cccc(C#N)c1)[C@H]1CCCCO1	ZINC000870691532	639774847	/nfs/dbraw/zinc/77/48/47/639774847.db2.gz	PSTPIIVVCRTIMR-CQSZACIVSA-N	-1	0	288.347	2.564	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2conc2C2CCCC2)c1	ZINC000870693286	639775871	/nfs/dbraw/zinc/77/58/71/639775871.db2.gz	APYIBDSZRYAHDG-UHFFFAOYSA-N	-1	0	297.314	2.928	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)CCC2	ZINC000193372114	650647615	/nfs/dbraw/zinc/64/76/15/650647615.db2.gz	ZDJOKACUUTVVAN-INIZCTEOSA-N	-1	0	298.386	2.804	20	30		CFEDRM
O=C([N-]CC(F)(F)c1ccc(F)cc1F)C(F)(F)F	ZINC000871596957	641362725	/nfs/dbraw/zinc/36/27/25/641362725.db2.gz	IAGXKTZYMOSIJU-UHFFFAOYSA-N	-1	0	289.150	2.735	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3cc(C#N)cc(Cl)n3)c(=O)c2C1	ZINC000871954521	641526610	/nfs/dbraw/zinc/52/66/10/641526610.db2.gz	KGOTWTQPFFJXGT-WPRPVWTQSA-N	-1	0	288.738	2.745	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccnn2CC2CCC2)c1	ZINC000872325304	641756343	/nfs/dbraw/zinc/75/63/43/641756343.db2.gz	LMPSRSHYAOYEAR-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
CC(C)C1(C=Nn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000872339350	641759057	/nfs/dbraw/zinc/75/90/57/641759057.db2.gz	HQOYNEZBNGIEGQ-UHFFFAOYSA-N	-1	0	287.388	2.955	20	30		CFEDRM
Cc1cc(N=NC2CCc3cccc(C(=O)[O-])c32)nc(C)n1	ZINC000872343226	641760432	/nfs/dbraw/zinc/76/04/32/641760432.db2.gz	SOGGJWYAKAFRJY-UHFFFAOYSA-N	-1	0	296.330	2.554	20	30		CFEDRM
O=C([O-])c1ccc(N=NC(C2CCC2)[C@H]2CCCO2)nc1	ZINC000872361057	641768452	/nfs/dbraw/zinc/76/84/52/641768452.db2.gz	ZGCBFQMJTNTYSW-GFCCVEGCSA-N	-1	0	289.335	2.527	20	30		CFEDRM
CC[C@H](NN=Cc1cc2ccnc(Cl)c2s1)C(=O)[O-]	ZINC000872376010	641780861	/nfs/dbraw/zinc/78/08/61/641780861.db2.gz	BVNKPZBUOQMQKH-VIFPVBQESA-N	-1	0	297.767	2.736	20	30		CFEDRM
O=C([O-])Cc1ccc(NN=Cc2cc3c([nH]2)CCCC3)cc1	ZINC000872386772	641785737	/nfs/dbraw/zinc/78/57/37/641785737.db2.gz	BGIREVJVZYRYAE-UHFFFAOYSA-N	-1	0	297.358	2.967	20	30		CFEDRM
CC(=NN1CCC1)c1cc(Br)cc(F)c1[O-]	ZINC000872397151	641792155	/nfs/dbraw/zinc/79/21/55/641792155.db2.gz	NRGOONHBTIFFFC-UHFFFAOYSA-N	-1	0	287.132	2.724	20	30		CFEDRM
C[C@@H]1C(N=NC[C@H]2CCCC2(F)F)CC[C@H]1CC(=O)[O-]	ZINC000872406088	641795286	/nfs/dbraw/zinc/79/52/86/641795286.db2.gz	HJAWZUPFNQENOL-GARJFASQSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(OCC)cc1C(=O)[O-]	ZINC000872760612	641923118	/nfs/dbraw/zinc/92/31/18/641923118.db2.gz	JVKYOXVQJJSSKO-UHFFFAOYSA-N	-1	0	263.293	2.688	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)C[C@H](C(=O)[O-])c2ccccc2)C1	ZINC000872981882	641976929	/nfs/dbraw/zinc/97/69/29/641976929.db2.gz	OTIDVXPMTCLPMZ-ZBFHGGJFSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000873006087	641982596	/nfs/dbraw/zinc/98/25/96/641982596.db2.gz	YOCCDFFOQNSZBK-QWRGUYRKSA-N	-1	0	287.425	2.690	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)CC2(C(=O)[O-])CCCCC2)CC1	ZINC000873003995	641982713	/nfs/dbraw/zinc/98/27/13/641982713.db2.gz	FWABPJQLVHOTQQ-HDJSIYSDSA-N	-1	0	291.391	2.720	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873005091	641982835	/nfs/dbraw/zinc/98/28/35/641982835.db2.gz	PDHCEIDEORLBDH-OAHLLOKOSA-N	-1	0	292.310	2.835	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC000873065353	642001064	/nfs/dbraw/zinc/00/10/64/642001064.db2.gz	CSPIWTZEMAHDAD-PHIMTYICSA-N	-1	0	273.336	2.526	20	30		CFEDRM
N#Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1	ZINC000874969239	642566757	/nfs/dbraw/zinc/56/67/57/642566757.db2.gz	LLBVHFVTXSSTHJ-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
Cc1cc(CCCC(=O)[N-]S(C)(=O)=O)c(C)s1	ZINC000084692237	650777625	/nfs/dbraw/zinc/77/76/25/650777625.db2.gz	ZNMDWGFRAYYGJX-UHFFFAOYSA-N	-1	0	275.395	2.604	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)cn2)n1	ZINC000125901274	642846150	/nfs/dbraw/zinc/84/61/50/642846150.db2.gz	ZTAWGBMOPMBANR-JTQLQIEISA-N	-1	0	257.318	2.645	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000880393847	644687157	/nfs/dbraw/zinc/68/71/57/644687157.db2.gz	RYXLWZSWVKNVGL-GFCCVEGCSA-N	-1	0	297.399	2.708	20	30		CFEDRM
Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)oc1C	ZINC000128725430	644886703	/nfs/dbraw/zinc/88/67/03/644886703.db2.gz	YZXMANVHKLLWDE-CYBMUJFWSA-N	-1	0	282.299	2.858	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)C1=CCCCC1	ZINC000882723703	645433991	/nfs/dbraw/zinc/43/39/91/645433991.db2.gz	KSSYNSBFSSZQBG-UHFFFAOYSA-N	-1	0	280.324	2.897	20	30		CFEDRM
Cc1cncc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000130527636	645519081	/nfs/dbraw/zinc/51/90/81/645519081.db2.gz	TYIOIHXJPCGRMH-CXUHLZMHSA-N	-1	0	271.276	2.623	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1sccc1Cl	ZINC000884471007	646375560	/nfs/dbraw/zinc/37/55/60/646375560.db2.gz	IXSZAUKKTVMDON-VIFPVBQESA-N	-1	0	274.773	2.968	20	30		CFEDRM
N#Cc1ccc2nc(N3CCCC[C@H]3CC(=O)[O-])ccc2c1	ZINC000886913724	647173036	/nfs/dbraw/zinc/17/30/36/647173036.db2.gz	IXIYDUCYDHMFKV-AWEZNQCLSA-N	-1	0	295.342	2.940	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCC[C@]23CCCO3)c1	ZINC000887270250	647256706	/nfs/dbraw/zinc/25/67/06/647256706.db2.gz	JYSVFAUMLSNIFX-LTAXBSGQSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=C1CCC(C(=O)N(CC(=O)[O-])c2ccccc2)CC1	ZINC000887326570	647271986	/nfs/dbraw/zinc/27/19/86/647271986.db2.gz	GQGKBODXPKBWET-UHFFFAOYSA-N	-1	0	273.332	2.851	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000109626238	647820426	/nfs/dbraw/zinc/82/04/26/647820426.db2.gz	MLUATTYLZXIXMC-CHWSQXEVSA-N	-1	0	267.369	2.740	20	30		CFEDRM
COc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1O	ZINC000034602674	648758737	/nfs/dbraw/zinc/75/87/37/648758737.db2.gz	WGVFVBIJKULVHA-KXFIGUGUSA-N	-1	0	286.283	2.708	20	30		CFEDRM
CCN(CC#N)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930619057	649289116	/nfs/dbraw/zinc/28/91/16/649289116.db2.gz	JTPDXTKCPFRIAG-UHFFFAOYSA-N	-1	0	273.119	2.685	20	30		CFEDRM
COc1cc(C=NNc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000254407233	651088132	/nfs/dbraw/zinc/08/81/32/651088132.db2.gz	HMPKBHDZCBABNT-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccncc1	ZINC000254799472	651096065	/nfs/dbraw/zinc/09/60/65/651096065.db2.gz	XCINYABYGJQPIO-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3n[nH]cc3c2)c1	ZINC000254857911	651096707	/nfs/dbraw/zinc/09/67/07/651096707.db2.gz	HPRFFXMAJQULDX-UHFFFAOYSA-N	-1	0	282.259	2.927	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])nc1	ZINC001243502476	782236644	/nfs/dbraw/zinc/23/66/44/782236644.db2.gz	YKEDUCVDBYYUOA-UHFFFAOYSA-N	-1	0	290.269	2.648	20	30		CFEDRM
N#CCc1cccnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243510740	782246611	/nfs/dbraw/zinc/24/66/11/782246611.db2.gz	VAJSNVBXKOJMPO-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1ccnc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241184188	782262285	/nfs/dbraw/zinc/26/22/85/782262285.db2.gz	VIVJYZVKOUNYSX-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1ccncc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241186685	782264325	/nfs/dbraw/zinc/26/43/25/782264325.db2.gz	AAZSTGUUZNZNBM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cc(-c2ccccc2/C=C/C(=O)[O-])ccn1	ZINC001241192799	782265413	/nfs/dbraw/zinc/26/54/13/782265413.db2.gz	CBYICUCJMFSIHH-AATRIKPKSA-N	-1	0	250.257	2.718	20	30		CFEDRM
CCCCCCCCCCCOC(=O)[C@H](O)CC(=O)[O-]	ZINC001224752191	778665411	/nfs/dbraw/zinc/66/54/11/778665411.db2.gz	JKIMXTSDYSJAAQ-CYBMUJFWSA-N	-1	0	288.384	2.896	20	30		CFEDRM
N#CCc1nccnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236143462	778715196	/nfs/dbraw/zinc/71/51/96/778715196.db2.gz	OTNKPVDERMNECV-UHFFFAOYSA-N	-1	0	291.669	2.700	20	30		CFEDRM
N#Cc1nc(Cl)c(Nc2cccc([S-])c2)nc1C#N	ZINC001210946476	770403223	/nfs/dbraw/zinc/40/32/23/770403223.db2.gz	NANCBZRXBOHXDI-UHFFFAOYSA-N	-1	0	287.735	2.906	20	30		CFEDRM
COC(=O)c1sc([N-]c2nccs2)c(C#N)c1C	ZINC001210989984	770409050	/nfs/dbraw/zinc/40/90/50/770409050.db2.gz	XCPYJIINNJDLKX-UHFFFAOYSA-N	-1	0	279.346	2.915	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000692300597	770480481	/nfs/dbraw/zinc/48/04/81/770480481.db2.gz	LCWCSWSSUKNAGA-JTQLQIEISA-N	-1	0	263.724	2.531	20	30		CFEDRM
N#Cc1ccc(-c2noc(-c3cccc([S-])c3)n2)nc1	ZINC001215765821	770553403	/nfs/dbraw/zinc/55/34/03/770553403.db2.gz	PCUZHWLZFUILEL-UHFFFAOYSA-N	-1	0	280.312	2.959	20	30		CFEDRM
C#Cc1cccnc1Nc1cc(C)cc(C(=O)[O-])c1	ZINC001211535112	770827890	/nfs/dbraw/zinc/82/78/90/770827890.db2.gz	OIRCTXBGFVEWSH-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C=C1CCC(CNC(=O)C2=C(C(=O)[O-])CCCC2)CC1	ZINC000724458394	770887999	/nfs/dbraw/zinc/88/79/99/770887999.db2.gz	ZBIKBLNSHWUJBQ-UHFFFAOYSA-N	-1	0	277.364	2.804	20	30		CFEDRM
Cc1noc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001211592088	775144078	/nfs/dbraw/zinc/14/40/78/775144078.db2.gz	MUHUGRAVMXGOSP-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
CC(=Cc1cccnc1Cl)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000588611112	775279096	/nfs/dbraw/zinc/27/90/96/775279096.db2.gz	VHXJPPWHIMUMKB-SOFGYWHQSA-N	-1	0	286.722	2.559	20	30		CFEDRM
CCC[C@@H](C#Cc1ccccc1)OCCCS(=O)(=O)[O-]	ZINC001224896368	775302448	/nfs/dbraw/zinc/30/24/48/775302448.db2.gz	CQYPAEFVIIGBGB-HNNXBMFYSA-N	-1	0	296.388	2.501	20	30		CFEDRM
CC#CC[C@@H](CC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903902	775303912	/nfs/dbraw/zinc/30/39/12/775303912.db2.gz	WWBMQESJIORVIL-CQSZACIVSA-N	-1	0	296.388	2.684	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1c(N)cccc1C#N	ZINC001211626678	775321087	/nfs/dbraw/zinc/32/10/87/775321087.db2.gz	RCFZYCFDMFOOCE-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCC1CCCCC1	ZINC000694059585	775346700	/nfs/dbraw/zinc/34/67/00/775346700.db2.gz	LJARIROWBKBDQA-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
CCCCOC[C@@H](C)Oc1[nH]c(C)cc(=O)c1C#N	ZINC001225470121	775468451	/nfs/dbraw/zinc/46/84/51/775468451.db2.gz	RDEVCIFCGXUIFC-LLVKDONJSA-N	-1	0	264.325	2.551	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ccncc2F)[nH]1	ZINC001225470347	775468874	/nfs/dbraw/zinc/46/88/74/775468874.db2.gz	VQTCTIPMOABMEQ-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
N#CC[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225561816	775501436	/nfs/dbraw/zinc/50/14/36/775501436.db2.gz	BWDHMJFBEWNXRS-SNVBAGLBSA-N	-1	0	275.695	2.869	20	30		CFEDRM
C#C[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)C(C)C	ZINC001225885573	775623846	/nfs/dbraw/zinc/62/38/46/775623846.db2.gz	MKHJINSCNMSBRM-ZCFIWIBFSA-N	-1	0	262.202	2.985	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1OC1CCCCCC1	ZINC001226008575	775666262	/nfs/dbraw/zinc/66/62/62/775666262.db2.gz	JBCDTAQNRNZUSX-UHFFFAOYSA-N	-1	0	250.273	2.900	20	30		CFEDRM
C[C@H]1CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009121	775666621	/nfs/dbraw/zinc/66/66/21/775666621.db2.gz	SPGUGKXIVBZEEX-WCBMZHEXSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068301	775687764	/nfs/dbraw/zinc/68/77/64/775687764.db2.gz	NJENFCAPZJLZQI-MRVPVSSYSA-N	-1	0	284.237	2.858	20	30		CFEDRM
CCCCOC[C@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226222373	775741566	/nfs/dbraw/zinc/74/15/66/775741566.db2.gz	ZCYWDKNGWNHCJS-NSHDSACASA-N	-1	0	264.325	2.551	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000136228436	775769985	/nfs/dbraw/zinc/76/99/85/775769985.db2.gz	MPNZGJRBEDQINQ-AWEZNQCLSA-N	-1	0	260.293	2.572	20	30		CFEDRM
C=CCC(CC=C)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226408615	775809343	/nfs/dbraw/zinc/80/93/43/775809343.db2.gz	ABUFSMRCQLJEAY-UHFFFAOYSA-N	-1	0	284.333	2.539	20	30		CFEDRM
C=C[C@H](CCCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226414657	775810447	/nfs/dbraw/zinc/81/04/47/775810447.db2.gz	CDJDEMQDHFBFPZ-LLVKDONJSA-N	-1	0	286.349	2.763	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(C)[n-]c(=O)c2F)O1	ZINC001226423082	775817195	/nfs/dbraw/zinc/81/71/95/775817195.db2.gz	DNOBSBJIGHWQME-MEBBXXQBSA-N	-1	0	296.342	2.911	20	30		CFEDRM
C#CC[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531764	775862763	/nfs/dbraw/zinc/86/27/63/775862763.db2.gz	HMUDXQOPBUJVLN-JTQLQIEISA-N	-1	0	258.273	2.598	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226722133	775937862	/nfs/dbraw/zinc/93/78/62/775937862.db2.gz	PBZCVSHTYLFNET-QMMMGPOBSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226992690	776053306	/nfs/dbraw/zinc/05/33/06/776053306.db2.gz	WNBHCHPDSFOWIM-JTQLQIEISA-N	-1	0	274.324	2.639	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1C#N	ZINC001227275227	776167985	/nfs/dbraw/zinc/16/79/85/776167985.db2.gz	WKKDYQIUIQTABK-VIFPVBQESA-N	-1	0	280.287	2.675	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cc2ccccc2s1	ZINC000124568988	776210311	/nfs/dbraw/zinc/21/03/11/776210311.db2.gz	VBYCYTAJHYYYJL-LBPRGKRZSA-N	-1	0	298.367	2.846	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601590	776239442	/nfs/dbraw/zinc/23/94/42/776239442.db2.gz	CCPWAENXIHZQCP-RNFRBKRXSA-N	-1	0	273.119	2.670	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227601588	776239579	/nfs/dbraw/zinc/23/95/79/776239579.db2.gz	CCPWAENXIHZQCP-BQBZGAKWSA-N	-1	0	273.119	2.670	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605880	776241197	/nfs/dbraw/zinc/24/11/97/776241197.db2.gz	RDORVIJUUUWEAM-ZCFIWIBFSA-N	-1	0	261.108	2.999	20	30		CFEDRM
C[C@H](Oc1ccc(O)c(C#N)c1C#N)C1=CC=C[CH]1	ZINC001227617911	776246782	/nfs/dbraw/zinc/24/67/82/776246782.db2.gz	JEVXIOWSRDADKH-JTQLQIEISA-N	-1	0	251.265	2.603	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227709836	776265356	/nfs/dbraw/zinc/26/53/56/776265356.db2.gz	HDCSOEYDCZWEHK-QWRGUYRKSA-N	-1	0	276.336	2.734	20	30		CFEDRM
CC#C[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227742955	776275602	/nfs/dbraw/zinc/27/56/02/776275602.db2.gz	GBZFBNLHVWAVEC-SNVBAGLBSA-N	-1	0	259.265	2.652	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227810914	776297267	/nfs/dbraw/zinc/29/72/67/776297267.db2.gz	YUALOTXBLXYHSZ-LBPRGKRZSA-N	-1	0	280.287	2.697	20	30		CFEDRM
C[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1C#N	ZINC001228391223	776478874	/nfs/dbraw/zinc/47/88/74/776478874.db2.gz	SVBPOCBZTIUEIK-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C=C[C@@H](CCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228436369	776490486	/nfs/dbraw/zinc/49/04/86/776490486.db2.gz	BNCYLHYXQXSEQO-NSHDSACASA-N	-1	0	276.365	2.685	20	30		CFEDRM
N#C[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1F	ZINC001228482073	776503057	/nfs/dbraw/zinc/50/30/57/776503057.db2.gz	JHRHYDICCGONSS-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
Cc1ccc(OC[C@@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228903088	776652601	/nfs/dbraw/zinc/65/26/01/776652601.db2.gz	VLHAVIGHXPEMIH-GFCCVEGCSA-N	-1	0	284.315	2.814	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228902765	776652857	/nfs/dbraw/zinc/65/28/57/776652857.db2.gz	UPSZKUOFZGLSAF-HNNXBMFYSA-N	-1	0	278.311	2.868	20	30		CFEDRM
C[C@H](CS)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911695	776655816	/nfs/dbraw/zinc/65/58/16/776655816.db2.gz	HBUFZCPDXBEQJH-ZCFIWIBFSA-N	-1	0	270.741	2.686	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973200	776674657	/nfs/dbraw/zinc/67/46/57/776674657.db2.gz	HVTHKSJJKVFVHT-SECBINFHSA-N	-1	0	295.367	2.654	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229140271	776732415	/nfs/dbraw/zinc/73/24/15/776732415.db2.gz	ZFBGSCQFZIEBRR-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229378793	776794995	/nfs/dbraw/zinc/79/49/95/776794995.db2.gz	NHJODCOEKGKRCG-JTQLQIEISA-N	-1	0	281.312	2.913	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2c(C)cccc21)C(C)C	ZINC001229407178	776802558	/nfs/dbraw/zinc/80/25/58/776802558.db2.gz	HOWOOOUZPUWFBI-LBPRGKRZSA-N	-1	0	256.305	2.680	20	30		CFEDRM
C=CC(C=C)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001229622198	776859274	/nfs/dbraw/zinc/85/92/74/776859274.db2.gz	FHNVMBXJESMWDK-ZDUSSCGKSA-N	-1	0	289.356	2.700	20	30		CFEDRM
C#C[C@@H](C)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-]	ZINC001230110734	776954474	/nfs/dbraw/zinc/95/44/74/776954474.db2.gz	APKDVTVNQLSLMG-ZCFIWIBFSA-N	-1	0	295.143	2.641	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861468	777076433	/nfs/dbraw/zinc/07/64/33/777076433.db2.gz	BCGQACRFICEMPP-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889028	777083297	/nfs/dbraw/zinc/08/32/97/777083297.db2.gz	RLSLTROBMVIXPP-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)C(C)C	ZINC001231074188	777133285	/nfs/dbraw/zinc/13/32/85/777133285.db2.gz	MGWQIVWKQJKSKJ-NSHDSACASA-N	-1	0	260.268	2.511	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231073327	777133299	/nfs/dbraw/zinc/13/32/99/777133299.db2.gz	AOKNRNCRUORLQI-ZETCQYMHSA-N	-1	0	287.703	2.867	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001231259064	777179006	/nfs/dbraw/zinc/17/90/06/777179006.db2.gz	DZEPDUDMXJIXLD-CYBMUJFWSA-N	-1	0	284.271	2.757	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265175	777180849	/nfs/dbraw/zinc/18/08/49/777180849.db2.gz	ZPOOQNNASIZGLO-VIFPVBQESA-N	-1	0	252.270	2.737	20	30		CFEDRM
C=CC[N@H+](Cc1ccc(C(=O)[O-])cc1O)C(C)(C)C	ZINC001231455005	777224340	/nfs/dbraw/zinc/22/43/40/777224340.db2.gz	UTFVHECJHAOVOU-UHFFFAOYSA-N	-1	0	263.337	2.877	20	30		CFEDRM
CCCCN(CCC#N)Cc1ccc(C(=O)[O-])s1	ZINC001231464081	777228045	/nfs/dbraw/zinc/22/80/45/777228045.db2.gz	YONRAIPCMFQFDJ-UHFFFAOYSA-N	-1	0	266.366	2.962	20	30		CFEDRM
N#C[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-]	ZINC001231912261	777365246	/nfs/dbraw/zinc/36/52/46/777365246.db2.gz	BFZUJULYPOGSEO-NSHDSACASA-N	-1	0	250.729	2.924	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1nc(C)[n-]c(=O)c1F	ZINC001226424430	777537667	/nfs/dbraw/zinc/53/76/67/777537667.db2.gz	PFZAZFYHJFCFOV-SNVBAGLBSA-N	-1	0	264.300	2.613	20	30		CFEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3ccc(F)cc3C2)c1	ZINC001232678947	777640177	/nfs/dbraw/zinc/64/01/77/777640177.db2.gz	VIRZNMNINHYGGD-UHFFFAOYSA-N	-1	0	282.318	2.961	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CCCOC2)c1[O-]	ZINC000126978648	777717581	/nfs/dbraw/zinc/71/75/81/777717581.db2.gz	QJZISEUUOCIQAU-KIKKFWRUSA-N	-1	0	298.726	2.799	20	30		CFEDRM
CCCCCCC[C@@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233934665	778117483	/nfs/dbraw/zinc/11/74/83/778117483.db2.gz	NXALBGSUHUUOGQ-SNVBAGLBSA-N	-1	0	278.356	2.774	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)ccc1C#N	ZINC001228903617	778207077	/nfs/dbraw/zinc/20/70/77/778207077.db2.gz	ZQDGIEPAABUDAT-LBPRGKRZSA-N	-1	0	256.305	2.642	20	30		CFEDRM
C[C@@H](Cc1ccco1)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234512671	778240530	/nfs/dbraw/zinc/24/05/30/778240530.db2.gz	DBBNYSQFIDNTAU-JTQLQIEISA-N	-1	0	295.298	2.810	20	30		CFEDRM
C#C[C@H](CCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530271	778245045	/nfs/dbraw/zinc/24/50/45/778245045.db2.gz	JSBKWROMUHEWLP-GFCCVEGCSA-N	-1	0	281.315	2.778	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234567568	778253203	/nfs/dbraw/zinc/25/32/03/778253203.db2.gz	HXSVFPFZEFUNDE-MRVPVSSYSA-N	-1	0	287.157	2.987	20	30		CFEDRM
C#C[C@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815612	778300922	/nfs/dbraw/zinc/30/09/22/778300922.db2.gz	XRJNGSBADUQINE-GFCCVEGCSA-N	-1	0	272.300	2.988	20	30		CFEDRM
N=C(Nc1cc(F)ccc1[S-])c1nccs1	ZINC001168280263	778384214	/nfs/dbraw/zinc/38/42/14/778384214.db2.gz	AJLRQKHOIGSLBP-UHFFFAOYSA-N	-1	0	253.327	2.608	20	30		CFEDRM
N#Cc1ncc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1F	ZINC001235267654	778440119	/nfs/dbraw/zinc/44/01/19/778440119.db2.gz	FCFGNOXRGQRFMJ-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#CCc1cncc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235531828	778514133	/nfs/dbraw/zinc/51/41/33/778514133.db2.gz	NWCVKGTWZHRJOU-ZZXKWVIFSA-N	-1	0	264.284	2.912	20	30		CFEDRM
CCCCCCCC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000697957854	778575701	/nfs/dbraw/zinc/57/57/01/778575701.db2.gz	ODLSHSJGEUCCLN-CYBMUJFWSA-N	-1	0	269.385	2.964	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1ccc(CCCC)cc1)C(=O)[O-]	ZINC000159743740	778580061	/nfs/dbraw/zinc/58/00/61/778580061.db2.gz	KKSVPASNDNYJJM-AWEZNQCLSA-N	-1	0	288.347	2.627	20	30		CFEDRM
N#Cc1cnc2ccc(-c3c(F)cc(F)c([O-])c3F)cn12	ZINC001235998244	778648491	/nfs/dbraw/zinc/64/84/91/778648491.db2.gz	WAUKPQGWDVHZKC-UHFFFAOYSA-N	-1	0	289.216	2.996	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(C(=O)[O-])cc3)c1-2	ZINC001236054967	778670675	/nfs/dbraw/zinc/67/06/75/778670675.db2.gz	FYVMHZWQLZORLO-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000909117163	778695087	/nfs/dbraw/zinc/69/50/87/778695087.db2.gz	KAHROKLNOTVKRZ-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
Cc1c(Cl)c(-c2nccc(C#N)n2)ccc1C(=O)[O-]	ZINC001236107931	778697665	/nfs/dbraw/zinc/69/76/65/778697665.db2.gz	JBKZJWVKDCTJEF-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1ncc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236112798	778699317	/nfs/dbraw/zinc/69/93/17/778699317.db2.gz	GITYUNODGCYEFI-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236142668	778714409	/nfs/dbraw/zinc/71/44/09/778714409.db2.gz	JNBDYVCOXUUEPP-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
N#CCc1cncc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236149357	778717562	/nfs/dbraw/zinc/71/75/62/778717562.db2.gz	WKUUNJCHOGKHMA-UHFFFAOYSA-N	-1	0	291.669	2.700	20	30		CFEDRM
N#Cc1ncncc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236159140	778721212	/nfs/dbraw/zinc/72/12/12/778721212.db2.gz	RHQJMNCFIOCIHS-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCS(=O)(=O)[O-]	ZINC001224899740	778739443	/nfs/dbraw/zinc/73/94/43/778739443.db2.gz	QZUMHTHPAYKTTR-FRRDWIJNSA-N	-1	0	276.398	2.662	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798320	779180330	/nfs/dbraw/zinc/18/03/30/779180330.db2.gz	DQJWDTOJSBTYCW-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CCN(CCC#N)Cc1cc(F)c([O-])c(Cl)c1	ZINC001237988359	779222942	/nfs/dbraw/zinc/22/29/42/779222942.db2.gz	HAQBDBRCOPMDPM-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238149168	779261692	/nfs/dbraw/zinc/26/16/92/779261692.db2.gz	GXLCSKIFOLGXMX-QMMMGPOBSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1cccc(F)n1	ZINC001122656898	779282700	/nfs/dbraw/zinc/28/27/00/779282700.db2.gz	CTNNVUMFFZGIDT-SECBINFHSA-N	-1	0	271.251	2.576	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000130527801	779448940	/nfs/dbraw/zinc/44/89/40/779448940.db2.gz	JFHPCYNWTMNOAM-LLVKDONJSA-N	-1	0	299.157	2.840	20	30		CFEDRM
Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1C#N	ZINC001239333559	779522915	/nfs/dbraw/zinc/52/29/15/779522915.db2.gz	VBOPGARPDXPQDN-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1cccnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239333072	779523006	/nfs/dbraw/zinc/52/30/06/779523006.db2.gz	BNPKNOQHPWJTFQ-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1F	ZINC001239339679	779529533	/nfs/dbraw/zinc/52/95/33/779529533.db2.gz	LTNHDEMZOMOUKW-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1cc(-c2cc(F)c(C#N)c(F)c2)cnc1C(=O)[O-]	ZINC001239930394	779867577	/nfs/dbraw/zinc/86/75/77/779867577.db2.gz	FBXFSGYOHBWZSN-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(SCC)c1	ZINC000690219350	779953398	/nfs/dbraw/zinc/95/33/98/779953398.db2.gz	HIUZEAWIAJMPSL-UHFFFAOYSA-N	-1	0	294.376	2.903	20	30		CFEDRM
COc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001240545676	780240511	/nfs/dbraw/zinc/24/05/11/780240511.db2.gz	ATIQDRXPUSWIRB-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001240733774	780401219	/nfs/dbraw/zinc/40/12/19/780401219.db2.gz	JQEVEBVAVYGUAY-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cccc(CC#N)n1	ZINC001240734214	780402219	/nfs/dbraw/zinc/40/22/19/780402219.db2.gz	UTXJIHMUVHHOKT-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2OC)nc1CC#N	ZINC001240735057	780402225	/nfs/dbraw/zinc/40/22/25/780402225.db2.gz	IQUXFENJHHWONM-UHFFFAOYSA-N	-1	0	298.298	2.530	20	30		CFEDRM
COc1cc(-c2cc(C#N)cc(C)n2)ccc1C(=O)[O-]	ZINC001240743775	780408916	/nfs/dbraw/zinc/40/89/16/780408916.db2.gz	RFASBOZGAINZGY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1cc(N)c(Nc2cc(F)cc(F)c2O)cc1C#N	ZINC001212489634	780409464	/nfs/dbraw/zinc/40/94/64/780409464.db2.gz	WDDAJTBBLMSXME-UHFFFAOYSA-N	-1	0	286.241	2.740	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(C(=O)[O-])s1	ZINC001240843179	780470168	/nfs/dbraw/zinc/47/01/68/780470168.db2.gz	PZFOIJOUAHTGCA-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])s2)n1	ZINC001240844479	780471198	/nfs/dbraw/zinc/47/11/98/780471198.db2.gz	UWKGHONCLCYAHL-UHFFFAOYSA-N	-1	0	258.302	2.997	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])s1)CCC2	ZINC001240846334	780472488	/nfs/dbraw/zinc/47/24/88/780472488.db2.gz	VPTXPIZIQRARDY-UHFFFAOYSA-N	-1	0	270.313	2.869	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])s2)ccc1CC#N	ZINC001240846154	780472495	/nfs/dbraw/zinc/47/24/95/780472495.db2.gz	SITXJAZYMNDHEE-UHFFFAOYSA-N	-1	0	258.302	2.883	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])s2)c(C#N)c1	ZINC001240846726	780473576	/nfs/dbraw/zinc/47/35/76/780473576.db2.gz	SEOGALXVJISVCB-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240971452	780559641	/nfs/dbraw/zinc/55/96/41/780559641.db2.gz	AIJAKGANQTZDKP-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(CC(=O)[O-])cc3)ccc12	ZINC001240971967	780560215	/nfs/dbraw/zinc/56/02/15/780560215.db2.gz	LROUNEVXJPMFAB-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1ccc(CC(=O)[O-])cc1	ZINC001240972926	780561499	/nfs/dbraw/zinc/56/14/99/780561499.db2.gz	WQPRLJPNZVBLKX-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1c(F)cccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240973434	780562763	/nfs/dbraw/zinc/56/27/63/780562763.db2.gz	KIZCECASKMYPME-UHFFFAOYSA-N	-1	0	255.248	2.991	20	30		CFEDRM
COc1nc(-c2cc(C(=O)[O-])ccc2C)ccc1C#N	ZINC001240999116	780582896	/nfs/dbraw/zinc/58/28/96/780582896.db2.gz	HHLLMMAIJYTJAA-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(F)n1	ZINC001240999939	780583686	/nfs/dbraw/zinc/58/36/86/780583686.db2.gz	AGBCVDBAESRADV-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1ccc(O)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212514336	780622370	/nfs/dbraw/zinc/62/23/70/780622370.db2.gz	NSEILKLDLKIFKU-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
COc1cc(C#N)nc(-c2c(F)cc([O-])cc2F)c1	ZINC001241118150	780646328	/nfs/dbraw/zinc/64/63/28/780646328.db2.gz	JOPKYXLFJZFFSN-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241182791	780686964	/nfs/dbraw/zinc/68/69/64/780686964.db2.gz	AYTQCXVKRVQTEC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
O=C([O-])c1ccc(-c2ccccc2C=NO)cc1F	ZINC001241187124	780692503	/nfs/dbraw/zinc/69/25/03/780692503.db2.gz	MNFHDUDXGKFABP-UHFFFAOYSA-N	-1	0	259.236	2.999	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241242072	780726257	/nfs/dbraw/zinc/72/62/57/780726257.db2.gz	XXVHPMLDFNQXFS-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241245663	780729941	/nfs/dbraw/zinc/72/99/41/780729941.db2.gz	IYGHDTULWLODMX-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
Cc1nccc(-c2ccc(F)c(C(=O)[O-])c2)c1C#N	ZINC001241247196	780732235	/nfs/dbraw/zinc/73/22/35/780732235.db2.gz	NFPTYTFLNCXZKA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1nc(C#N)cnc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241346703	780800398	/nfs/dbraw/zinc/80/03/98/780800398.db2.gz	IYHGYDGKVRIBIQ-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1ccc(-c2cccc(C(=O)[O-])c2)nc1CC#N	ZINC001241357800	780807577	/nfs/dbraw/zinc/80/75/77/780807577.db2.gz	IGJXYGYGHZPNRP-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#CCc1ccc(F)cc1-c1cncc(C(=O)[O-])c1	ZINC001241801234	781132561	/nfs/dbraw/zinc/13/25/61/781132561.db2.gz	FDZKRXMPJMFJDU-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cnc(-c2cncc(C(=O)[O-])c2)c2sccc21	ZINC001241803943	781135101	/nfs/dbraw/zinc/13/51/01/781135101.db2.gz	ZGHBIUPYAYXANA-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
N#Cc1cc2nc(-c3cc(F)cc(C(=O)[O-])c3)ccc2[nH]1	ZINC001241824479	781145841	/nfs/dbraw/zinc/14/58/41/781145841.db2.gz	ZPTASJILJJBNNX-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
CCCCCCCNC(=O)N([C@H](C)C(=O)[O-])C1CC1	ZINC000705837624	781145982	/nfs/dbraw/zinc/14/59/82/781145982.db2.gz	DBXIZWHWHYMOEG-LLVKDONJSA-N	-1	0	270.373	2.604	20	30		CFEDRM
CCCCCCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000705837625	781146187	/nfs/dbraw/zinc/14/61/87/781146187.db2.gz	DBXIZWHWHYMOEG-NSHDSACASA-N	-1	0	270.373	2.604	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241834821	781148939	/nfs/dbraw/zinc/14/89/39/781148939.db2.gz	YUJALIAAXVGYJZ-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(-c2cc(C)c(C#N)cn2)cc1C(=O)[O-]	ZINC001241855798	781155972	/nfs/dbraw/zinc/15/59/72/781155972.db2.gz	XUGGHXDMIZMUBM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2cccc(OC)c2C#N)cc1C(=O)[O-]	ZINC001241874681	781161956	/nfs/dbraw/zinc/16/19/56/781161956.db2.gz	MWIMTTJZHGLAPU-UHFFFAOYSA-N	-1	0	283.283	2.941	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(C(=O)[O-])cc(F)c2C)c1	ZINC001242204744	781325627	/nfs/dbraw/zinc/32/56/27/781325627.db2.gz	GFYMADTXMNOQHL-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
COc1ccnc(-c2cc(C(=O)[O-])cc(F)c2C)c1C#N	ZINC001242205835	781325888	/nfs/dbraw/zinc/32/58/88/781325888.db2.gz	UWBIFPCDRMRMAP-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(F)cnc1C#N	ZINC001242209464	781327477	/nfs/dbraw/zinc/32/74/77/781327477.db2.gz	RPRRRQFHRFLOPY-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cccc(CC(=O)[O-])c1)CCC2	ZINC001242263220	781348209	/nfs/dbraw/zinc/34/82/09/781348209.db2.gz	XZZLMVWNACNUNW-UHFFFAOYSA-N	-1	0	278.311	2.736	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242264019	781348483	/nfs/dbraw/zinc/34/84/83/781348483.db2.gz	SQCHWRCFQPINDA-UHFFFAOYSA-N	-1	0	262.268	2.724	20	30		CFEDRM
N#CCc1cnc(F)c(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242264719	781349472	/nfs/dbraw/zinc/34/94/72/781349472.db2.gz	ASQXRRXERWMVGU-UHFFFAOYSA-N	-1	0	270.263	2.581	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])nc2)nc(C(F)(F)F)c1	ZINC001242332938	781404009	/nfs/dbraw/zinc/40/40/09/781404009.db2.gz	DNYVIEOUUAXKCS-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])nc1)CCCC2	ZINC001242335583	781405943	/nfs/dbraw/zinc/40/59/43/781405943.db2.gz	IYFWTERPHVUHMU-UHFFFAOYSA-N	-1	0	279.299	2.592	20	30		CFEDRM
N#Cc1c(F)c(F)c(-c2ccc(C(=O)[O-])nc2)c(F)c1F	ZINC001242336616	781407083	/nfs/dbraw/zinc/40/70/83/781407083.db2.gz	CYUPAZYREBKDDT-UHFFFAOYSA-N	-1	0	296.179	2.875	20	30		CFEDRM
N#CCc1ccc(F)c(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242336663	781407457	/nfs/dbraw/zinc/40/74/57/781407457.db2.gz	FLXIUEKKCGLKIU-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ccc2cc(-c3ccc(C(=O)[O-])nc3)ccc2n1	ZINC001242338180	781409526	/nfs/dbraw/zinc/40/95/26/781409526.db2.gz	PYWHBFQWTQCPKE-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1cccc(C(=O)[O-])c1F	ZINC001242379179	781448148	/nfs/dbraw/zinc/44/81/48/781448148.db2.gz	HIHKGRYVWALYCY-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3cccc(C(=O)[O-])c3F)cnc12	ZINC001242379435	781448244	/nfs/dbraw/zinc/44/82/44/781448244.db2.gz	CYHAPBWNLSWPOV-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
Cc1ccc(-c2cccc(C(=O)[O-])c2F)c(C#N)n1	ZINC001242379236	781448406	/nfs/dbraw/zinc/44/84/06/781448406.db2.gz	JRGCWXDJDBXBTC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccncc1-c1cccc(C(=O)[O-])c1F	ZINC001242379852	781449373	/nfs/dbraw/zinc/44/93/73/781449373.db2.gz	PXPFZKFHPWPIRW-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c(F)cncc1-c1cccc(C(=O)[O-])c1F	ZINC001242380853	781450267	/nfs/dbraw/zinc/45/02/67/781450267.db2.gz	WEOHPMFZIUJSHL-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001242920363	781842535	/nfs/dbraw/zinc/84/25/35/781842535.db2.gz	CCONLAKDRCDNNB-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000594546882	349445053	/nfs/dbraw/zinc/44/50/53/349445053.db2.gz	ZSRMQFJXMQYYJF-ZETCQYMHSA-N	-1	0	272.226	2.710	20	30		CFEDRM
N#CC1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCCC1	ZINC000594746721	349486494	/nfs/dbraw/zinc/48/64/94/349486494.db2.gz	ADXKKVXCUHZEGF-UHFFFAOYSA-N	-1	0	286.331	2.589	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccc(C#N)cc2)c(C(=O)[O-])n1	ZINC000594872457	349491489	/nfs/dbraw/zinc/49/14/89/349491489.db2.gz	AATAAOZNJYKXSL-UHFFFAOYSA-N	-1	0	269.304	2.875	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccsc2C#N)c(C(=O)[O-])n1	ZINC000594871900	349491591	/nfs/dbraw/zinc/49/15/91/349491591.db2.gz	DGANMLDNDOWXNY-UHFFFAOYSA-N	-1	0	275.333	2.936	20	30		CFEDRM
COc1ccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])cc1C#N	ZINC000594872000	349491669	/nfs/dbraw/zinc/49/16/69/349491669.db2.gz	OEXRVEXBUPBTIE-UHFFFAOYSA-N	-1	0	299.330	2.884	20	30		CFEDRM
CCc1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)s1	ZINC000594734020	349484191	/nfs/dbraw/zinc/48/41/91/349484191.db2.gz	LZDMXEKSFWYFMH-UHFFFAOYSA-N	-1	0	284.388	2.690	20	30		CFEDRM
CCCC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)C(=O)[O-]	ZINC000127724472	187328822	/nfs/dbraw/zinc/32/88/22/187328822.db2.gz	BZKYAXBYJFSFHE-NSHDSACASA-N	-1	0	277.280	2.522	20	30		CFEDRM
CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccn1	ZINC000354464917	529379948	/nfs/dbraw/zinc/37/99/48/529379948.db2.gz	LENFRXGNJHKVIX-YPMHNXCESA-N	-1	0	296.330	2.539	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C#N)nc2ccccc21	ZINC000595972465	349773630	/nfs/dbraw/zinc/77/36/30/349773630.db2.gz	CIDQDBLZSDZBJK-VXGBXAGGSA-N	-1	0	295.342	2.796	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CC1(C#N)CCCCC1	ZINC000595988366	349774434	/nfs/dbraw/zinc/77/44/34/349774434.db2.gz	IEIABGYPCNYOJE-CHWSQXEVSA-N	-1	0	292.379	2.562	20	30		CFEDRM
N#CC1(CC(=O)N2CCCC[C@@H]2CC(=O)[O-])CCCCC1	ZINC000596000051	349774614	/nfs/dbraw/zinc/77/46/14/349774614.db2.gz	UFSPTSAXWNIKNQ-CYBMUJFWSA-N	-1	0	292.379	2.706	20	30		CFEDRM
CC(C)CC[C@](C)(O)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596144972	349808161	/nfs/dbraw/zinc/80/81/61/349808161.db2.gz	JPTBHABWQBGEMH-LBPRGKRZSA-N	-1	0	287.816	2.689	20	30		CFEDRM
COC1(CN=c2[n-]c(C#N)c(Cl)s2)CCCCC1	ZINC000596196412	349824958	/nfs/dbraw/zinc/82/49/58/349824958.db2.gz	NIXIJASRWJCLRI-UHFFFAOYSA-N	-1	0	285.800	2.851	20	30		CFEDRM
CC1(C)CCC[C@@](O)(CN=c2[n-]c(C#N)c(Cl)s2)C1	ZINC000596203161	349825771	/nfs/dbraw/zinc/82/57/71/349825771.db2.gz	MTKVLBNYLJHJAB-ZDUSSCGKSA-N	-1	0	299.827	2.833	20	30		CFEDRM
N#Cc1nc(NCCC2(F)CCC2)sc1Cl	ZINC000596242283	349837848	/nfs/dbraw/zinc/83/78/48/349837848.db2.gz	CNBOYXLIUUAAQV-UHFFFAOYSA-N	-1	0	259.737	2.784	20	30		CFEDRM
CCOC1(CN=c2[n-]c(C#N)c(Cl)s2)CCCC1	ZINC000596244791	349839102	/nfs/dbraw/zinc/83/91/02/349839102.db2.gz	TVJMNOJMTZGBLR-UHFFFAOYSA-N	-1	0	285.800	2.851	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(C2CCOCC2)s1	ZINC000596413047	349894755	/nfs/dbraw/zinc/89/47/55/349894755.db2.gz	BRAIHYAEJTYTDR-UHFFFAOYSA-N	-1	0	299.465	2.575	20	30		CFEDRM
CO[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)C1CCCC1	ZINC000596526743	349930423	/nfs/dbraw/zinc/93/04/23/349930423.db2.gz	GJUXYBBANTUPBT-JTQLQIEISA-N	-1	0	285.800	2.707	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)C(=O)[O-]	ZINC000229335320	348200832	/nfs/dbraw/zinc/20/08/32/348200832.db2.gz	TZRZTWGSGUGBPX-QMMMGPOBSA-N	-1	0	287.768	2.637	20	30		CFEDRM
C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1C(=O)[O-]	ZINC000302557677	348374027	/nfs/dbraw/zinc/37/40/27/348374027.db2.gz	XHUKWWVPTOFCSE-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N1CCC[C@@H](C(=O)[O-])C1	ZINC000591325311	349009206	/nfs/dbraw/zinc/00/92/06/349009206.db2.gz	VUHJDXNAEAWSEO-GFCCVEGCSA-N	-1	0	295.342	2.716	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NCCC(C)(C)C(=O)[O-]	ZINC000591687366	349038505	/nfs/dbraw/zinc/03/85/05/349038505.db2.gz	UDTBGXPIFXWYTP-UHFFFAOYSA-N	-1	0	297.358	2.750	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1nc(C(C)(C)C)ccc1C#N	ZINC000593327546	349248284	/nfs/dbraw/zinc/24/82/84/349248284.db2.gz	OMOAMLNNXMRKPI-NSHDSACASA-N	-1	0	275.352	2.550	20	30		CFEDRM
CC(C)(C#N)c1ccc(CN=c2[n-]nc(C3CC3)o2)cc1	ZINC000593945765	349338149	/nfs/dbraw/zinc/33/81/49/349338149.db2.gz	RMFGIBDJRWULIE-UHFFFAOYSA-N	-1	0	282.347	2.782	20	30		CFEDRM
C[C@@H](CC#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000597651848	350120197	/nfs/dbraw/zinc/12/01/97/350120197.db2.gz	NSZXJIBCUKQLBW-LURJTMIESA-N	-1	0	256.664	2.673	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000597997367	350175636	/nfs/dbraw/zinc/17/56/36/350175636.db2.gz	HHPWQOIWINUWLR-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1	ZINC000597996982	350175740	/nfs/dbraw/zinc/17/57/40/350175740.db2.gz	CNBOWFZYKDTUFT-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H](C)C#N	ZINC000598348065	350242347	/nfs/dbraw/zinc/24/23/47/350242347.db2.gz	COGIWLUFMODVOT-MRVPVSSYSA-N	-1	0	286.253	2.785	20	30		CFEDRM
CCC1(C(=O)N=c2[nH][n-]c(C)c2C#N)CCC(F)(F)CC1	ZINC000598702278	350313532	/nfs/dbraw/zinc/31/35/32/350313532.db2.gz	YHQQJXPZMKBEQF-UHFFFAOYSA-N	-1	0	296.321	2.556	20	30		CFEDRM
C=CC(C)(C)CCNc1nc(C(=O)OCC)cs1	ZINC000599119003	350379151	/nfs/dbraw/zinc/37/91/51/350379151.db2.gz	VXUWPEXMOFLTMP-UHFFFAOYSA-N	-1	0	268.382	2.756	20	30		CFEDRM
CC(C)[C@]1(C(=O)[O-])CCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000600675430	350594562	/nfs/dbraw/zinc/59/45/62/350594562.db2.gz	MYIRADPVOWAYCP-AWEZNQCLSA-N	-1	0	293.754	2.544	20	30		CFEDRM
CC[C@@H](Sc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000600675966	350595628	/nfs/dbraw/zinc/59/56/28/350595628.db2.gz	QQJYPTFEVMKLMQ-MRVPVSSYSA-N	-1	0	256.714	2.562	20	30		CFEDRM
C[C@H]1CN(c2c(Cl)cccc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000600802129	350614516	/nfs/dbraw/zinc/61/45/16/350614516.db2.gz	SMEAFXVMHPGGDC-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCC3)cc1Cl	ZINC000601946611	350814453	/nfs/dbraw/zinc/81/44/53/350814453.db2.gz	DCLNNXIJKCBQKP-SNVBAGLBSA-N	-1	0	259.696	2.714	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C)c(F)c2)c(=O)c1CCC#N	ZINC000601948033	350815283	/nfs/dbraw/zinc/81/52/83/350815283.db2.gz	IKGZAGANSQWGLA-GFCCVEGCSA-N	-1	0	259.284	2.777	20	30		CFEDRM
C[C@H]1CCc2c1[n-]n(-c1ccc(C#N)c(Cl)c1)c2=O	ZINC000601950491	350816961	/nfs/dbraw/zinc/81/69/61/350816961.db2.gz	UWACFTDMKQCMHT-KWQFWETISA-N	-1	0	273.723	2.960	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1scc(C)c1C#N	ZINC000601980907	350822293	/nfs/dbraw/zinc/82/22/93/350822293.db2.gz	BNEIZYWFDVDZDI-ZDUSSCGKSA-N	-1	0	280.349	2.758	20	30		CFEDRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCC(C)(C)CCC#N	ZINC000601981991	350823092	/nfs/dbraw/zinc/82/30/92/350823092.db2.gz	IJWDEYFLKIGGSP-MRXNPFEDSA-N	-1	0	296.411	2.960	20	30		CFEDRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCC(C)(C)CC#N	ZINC000602000302	350827204	/nfs/dbraw/zinc/82/72/04/350827204.db2.gz	PDJNNLHSMWYJRC-HNNXBMFYSA-N	-1	0	282.384	2.570	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000616032716	352276011	/nfs/dbraw/zinc/27/60/11/352276011.db2.gz	RSLNDIQRNNPAHN-UHFFFAOYSA-N	-1	0	288.690	2.875	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000618469968	352781293	/nfs/dbraw/zinc/78/12/93/352781293.db2.gz	WZXFNJOMLVHYIT-AWEZNQCLSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CC(C)(C)c1nc(=NCc2ccc(C#N)c(Cl)c2)[n-]o1	ZINC000619747308	353062656	/nfs/dbraw/zinc/06/26/56/353062656.db2.gz	SYLJZICDGFSFMG-UHFFFAOYSA-N	-1	0	290.754	2.926	20	30		CFEDRM
N#CC1CCC(CN=c2[n-]c(-c3ccccc3)no2)CC1	ZINC000619651701	353043847	/nfs/dbraw/zinc/04/38/47/353043847.db2.gz	HLLSWXFFWHCCDQ-UHFFFAOYSA-N	-1	0	282.347	2.900	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1	ZINC000626360434	354255998	/nfs/dbraw/zinc/25/59/98/354255998.db2.gz	RPKAWJNOFOIWOF-SNVBAGLBSA-N	-1	0	294.424	2.687	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000630228624	355030415	/nfs/dbraw/zinc/03/04/15/355030415.db2.gz	CMYJRYHWJJSUSU-NWDGAFQWSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000630234859	355031526	/nfs/dbraw/zinc/03/15/26/355031526.db2.gz	PVHVIDVTPGZMHS-MOKVOYLWSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000630287568	355037937	/nfs/dbraw/zinc/03/79/37/355037937.db2.gz	ZIFKTPLLXMZFQQ-XDQVBPFNSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C(C)CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000630287953	355037947	/nfs/dbraw/zinc/03/79/47/355037947.db2.gz	FTLWTUBAKWFIJQ-JTQLQIEISA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCN(C(=O)CCCCC(=O)[O-])c1ccccc1	ZINC000630289621	355039658	/nfs/dbraw/zinc/03/96/58/355039658.db2.gz	SXLJFAXGBIMZJO-UHFFFAOYSA-N	-1	0	261.321	2.851	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630181067	355024258	/nfs/dbraw/zinc/02/42/58/355024258.db2.gz	GZOYZHHEBNJLSE-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C[C@H](C)CC(=O)[O-]	ZINC000630313509	355048456	/nfs/dbraw/zinc/04/84/56/355048456.db2.gz	JEXJWMSUPJZDRC-NSHDSACASA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CSc1ccccc1C)C(=O)[O-]	ZINC000630318566	355049514	/nfs/dbraw/zinc/04/95/14/355049514.db2.gz	JDNQYJGFHDQCNB-LBPRGKRZSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000630318564	355049523	/nfs/dbraw/zinc/04/95/23/355049523.db2.gz	JBPTYQZXYVGQEE-CQSZACIVSA-N	-1	0	275.348	2.545	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC1CCCCCC1)C(=O)[O-]	ZINC000630319423	355050019	/nfs/dbraw/zinc/05/00/19/355050019.db2.gz	ADWQWBSMQBDBNX-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000630319354	355050182	/nfs/dbraw/zinc/05/01/82/355050182.db2.gz	YVHWJSHXEFHNHC-GFCCVEGCSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC1CCC(F)(F)CC1)C(=O)[O-]	ZINC000630321435	355050715	/nfs/dbraw/zinc/05/07/15/355050715.db2.gz	JDQBWQSZHXAMJR-NSHDSACASA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000630320968	355050781	/nfs/dbraw/zinc/05/07/81/355050781.db2.gz	CXCXSSTWBMZRDT-AWEZNQCLSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000630320522	355050804	/nfs/dbraw/zinc/05/08/04/355050804.db2.gz	YTEJYCHCVNIWFI-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1coc2c1cccc2C)C(=O)[O-]	ZINC000630320291	355051032	/nfs/dbraw/zinc/05/10/32/355051032.db2.gz	SJQTXVLNHDOPSN-ZDUSSCGKSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-]	ZINC000630325750	355052202	/nfs/dbraw/zinc/05/22/02/355052202.db2.gz	KYPOMMCDPRYITM-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)[O-]	ZINC000630325067	355052317	/nfs/dbraw/zinc/05/23/17/355052317.db2.gz	GZPINSDISXMSNS-KXQLTZBTSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000630327164	355053022	/nfs/dbraw/zinc/05/30/22/355053022.db2.gz	XRGJHRCDCKRRHZ-LLVKDONJSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC000630542677	355107649	/nfs/dbraw/zinc/10/76/49/355107649.db2.gz	CQZGRFSLNASENG-LBPRGKRZSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccccc1C)C(=O)[O-]	ZINC000630548947	355108966	/nfs/dbraw/zinc/10/89/66/355108966.db2.gz	KUZMTJHRBWDKSC-LBPRGKRZSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000630469006	355090790	/nfs/dbraw/zinc/09/07/90/355090790.db2.gz	SZVMXTHGAZTGKM-OCCSQVGLSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1ccc(C)cc1C)C(=O)[O-]	ZINC000630470003	355091559	/nfs/dbraw/zinc/09/15/59/355091559.db2.gz	QSRNNJZZTBJLJN-AWEZNQCLSA-N	-1	0	290.363	2.522	20	30		CFEDRM
CCOc1cc(C(=O)[N-]c2scc(C)c2C#N)on1	ZINC000297623982	200245417	/nfs/dbraw/zinc/24/54/17/200245417.db2.gz	CFPBGNLRTGSXDJ-UHFFFAOYSA-N	-1	0	277.305	2.567	20	30		CFEDRM
C=CCCNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000161994195	540701699	/nfs/dbraw/zinc/70/16/99/540701699.db2.gz	KBJCGXHUENJXHS-UHFFFAOYSA-N	-1	0	263.322	2.686	20	30		CFEDRM
C=CCCCN(C)C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000135969529	541274370	/nfs/dbraw/zinc/27/43/70/541274370.db2.gz	OFOAJDCADVRWPB-UHFFFAOYSA-N	-1	0	255.358	2.692	20	30		CFEDRM
C=CCCCN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000136005255	541276606	/nfs/dbraw/zinc/27/66/06/541276606.db2.gz	WPXMXPUKXMSCTO-ZDUSSCGKSA-N	-1	0	284.400	2.731	20	30		CFEDRM
CCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000435335186	240303312	/nfs/dbraw/zinc/30/33/12/240303312.db2.gz	GEBJTOMAENUJEX-LUAWRHEFSA-N	-1	0	295.342	2.909	20	30		CFEDRM
Cc1occc1-c1n[n-]c(=NCc2ccc(C#N)c(C)c2)o1	ZINC000446945898	241341475	/nfs/dbraw/zinc/34/14/75/241341475.db2.gz	LGZLAEYHYXFJQD-UHFFFAOYSA-N	-1	0	294.314	2.852	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(C(C)C)s2)ccc1C#N	ZINC000446969887	241342732	/nfs/dbraw/zinc/34/27/32/241342732.db2.gz	RTUZJOHMQUFKPN-UHFFFAOYSA-N	-1	0	272.377	2.876	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)C1CCCCC1	ZINC000042243752	372893915	/nfs/dbraw/zinc/89/39/15/372893915.db2.gz	NACWQTXROZKDLZ-UHFFFAOYSA-N	-1	0	273.379	2.974	20	30		CFEDRM
O=C(CC1CCCCC1)[N-]S(=O)(=O)c1cccnc1	ZINC000042322048	372906902	/nfs/dbraw/zinc/90/69/02/372906902.db2.gz	YAIGSPRHTZSORW-UHFFFAOYSA-N	-1	0	282.365	2.697	20	30		CFEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)c1cccs1	ZINC000048517963	373194381	/nfs/dbraw/zinc/19/43/81/373194381.db2.gz	XAJQMBPWLCGPEF-UHFFFAOYSA-N	-1	0	273.379	2.974	20	30		CFEDRM
CCCCCCCC(=O)Nc1n[nH]c(SC)n1	ZINC000263890858	383689152	/nfs/dbraw/zinc/68/91/52/383689152.db2.gz	ZSZVCBHNWCIUGW-UHFFFAOYSA-N	-1	0	256.375	2.826	20	30		CFEDRM
N#CCc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1	ZINC000051602012	373402939	/nfs/dbraw/zinc/40/29/39/373402939.db2.gz	ZRYCRKGOBTVHHU-UHFFFAOYSA-N	-1	0	289.335	2.519	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2cc(Cl)ccc2C#N)CC1	ZINC000062843600	373767649	/nfs/dbraw/zinc/76/76/49/373767649.db2.gz	PLBGEQNCAKJIJJ-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccccc1C	ZINC000064871581	373837813	/nfs/dbraw/zinc/83/78/13/373837813.db2.gz	MAWMTQKJIOTGIA-UHFFFAOYSA-N	-1	0	289.360	2.616	20	30		CFEDRM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000070430440	374173605	/nfs/dbraw/zinc/17/36/05/374173605.db2.gz	RIFNKMIUGTXCEE-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)Nc2ccccc2C)cc1C#N	ZINC000074343972	374415877	/nfs/dbraw/zinc/41/58/77/374415877.db2.gz	RESRGHFNFNYQRN-UHFFFAOYSA-N	-1	0	299.355	2.942	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000094703573	375374964	/nfs/dbraw/zinc/37/49/64/375374964.db2.gz	SARGESZYGZNFPO-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
C[C@@H](CC1CCCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000114537216	376074116	/nfs/dbraw/zinc/07/41/16/376074116.db2.gz	AHOVLSSPSXSYHI-JTQLQIEISA-N	-1	0	285.351	2.698	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1Cc2c1cccc2Cl	ZINC000529513474	383715013	/nfs/dbraw/zinc/71/50/13/383715013.db2.gz	RWXFMAAYVWINFQ-GZMMTYOYSA-N	-1	0	251.713	2.602	20	30		CFEDRM
CO[C@@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000132367826	377831745	/nfs/dbraw/zinc/83/17/45/377831745.db2.gz	JOQZWXBEOXOJTD-LJDHDPBFSA-N	-1	0	278.308	2.677	20	30		CFEDRM
N#Cc1cc(F)c(C(=O)Nc2cc(F)ccc2O)c(F)c1	ZINC000151339816	378318983	/nfs/dbraw/zinc/31/89/83/378318983.db2.gz	YKTOSSXQLJXLGD-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@H]2C=CCCC2)s1	ZINC000329852673	378504792	/nfs/dbraw/zinc/50/47/92/378504792.db2.gz	UYNMKKJVIXLSEM-QMMMGPOBSA-N	-1	0	284.410	2.507	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000163858222	378993506	/nfs/dbraw/zinc/99/35/06/378993506.db2.gz	PUEHSJBEQRIPLL-ZDUSSCGKSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1	ZINC000335501446	379410900	/nfs/dbraw/zinc/41/09/00/379410900.db2.gz	PRJXKGFOMKPRJB-UHFFFAOYSA-N	-1	0	294.301	2.826	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1csc2ccccc12	ZINC000335203780	380003170	/nfs/dbraw/zinc/00/31/70/380003170.db2.gz	ZMKRJTDHGMKFSY-SECBINFHSA-N	-1	0	280.374	2.945	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2csnc2C)n1	ZINC000180439812	380661322	/nfs/dbraw/zinc/66/13/22/380661322.db2.gz	AFQQYIYIDIFLOG-MRVPVSSYSA-N	-1	0	263.347	2.707	20	30		CFEDRM
Cc1csc([C@H](C)C/N=C/c2ccc(O)c(O)c2O)n1	ZINC000182164404	381008149	/nfs/dbraw/zinc/00/81/49/381008149.db2.gz	MKFSQQVWQWSDLJ-DZYDPXEMSA-N	-1	0	292.360	2.791	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc2n1	ZINC000354460711	381286919	/nfs/dbraw/zinc/28/69/19/381286919.db2.gz	FPFAKCTWUURARJ-CQSZACIVSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000183633819	381299113	/nfs/dbraw/zinc/29/91/13/381299113.db2.gz	MHBUYBSKKVRUPR-RFAUZJTJSA-N	-1	0	294.301	2.873	20	30		CFEDRM
CSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000354459605	381284876	/nfs/dbraw/zinc/28/48/76/381284876.db2.gz	DHXNWODOKHPDKU-LLVKDONJSA-N	-1	0	269.329	2.689	20	30		CFEDRM
C=CCn1c(SCc2cccc(C)c2)n[nH]c1=O	ZINC000348112451	381464388	/nfs/dbraw/zinc/46/43/88/381464388.db2.gz	FWBDNYCARBVMON-UHFFFAOYSA-N	-1	0	261.350	2.770	20	30		CFEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1	ZINC000049513489	412948596	/nfs/dbraw/zinc/94/85/96/412948596.db2.gz	XOCAASLGSGKTOC-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
N#Cc1cccc(CCN=c2nc(-c3ccccc3)o[n-]2)c1	ZINC000359931238	381685511	/nfs/dbraw/zinc/68/55/11/381685511.db2.gz	JGCSEHJJUWPAQN-UHFFFAOYSA-N	-1	0	290.326	2.685	20	30		CFEDRM
CC(C)=CCCNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000360024539	381734277	/nfs/dbraw/zinc/73/42/77/381734277.db2.gz	OQZLHWURCXNFMR-UHFFFAOYSA-N	-1	0	298.795	2.846	20	30		CFEDRM
C[C@H](Oc1cccc(/C=C/c2ccncc2C#N)c1)C(=O)[O-]	ZINC000349102474	381822956	/nfs/dbraw/zinc/82/29/56/381822956.db2.gz	APVQYITXHYIPCE-FYJFLYSWSA-N	-1	0	294.310	2.976	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1cc(C(=O)[O-])cs1	ZINC000349107550	381824757	/nfs/dbraw/zinc/82/47/57/381824757.db2.gz	KCKRJMQJVZXVRK-UPHRSURJSA-N	-1	0	256.286	2.883	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O	ZINC000416957956	381977510	/nfs/dbraw/zinc/97/75/10/381977510.db2.gz	LJODWXZWMDLYFU-NSHDSACASA-N	-1	0	296.392	2.734	20	30		CFEDRM
C=CCCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000351577195	382047128	/nfs/dbraw/zinc/04/71/28/382047128.db2.gz	RKNWJOLIOIEVLR-UHFFFAOYSA-N	-1	0	293.310	2.739	20	30		CFEDRM
C=CC[NH+]1CCC(N=c2nc(C3CCCC3)[n-]s2)CC1	ZINC000420603664	382420564	/nfs/dbraw/zinc/42/05/64/382420564.db2.gz	QMEBCSIVNZARBT-UHFFFAOYSA-N	-1	0	292.452	2.680	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)s1	ZINC000308005937	382472711	/nfs/dbraw/zinc/47/27/11/382472711.db2.gz	LPXJIJOWBYSACR-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
N#Cc1ccc(/C=C/c2cccc(C(=O)[O-])c2)nc1	ZINC000358230494	382515753	/nfs/dbraw/zinc/51/57/53/382515753.db2.gz	XVGWXRJWNYOODH-GQCTYLIASA-N	-1	0	250.257	2.822	20	30		CFEDRM
N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000051638694	184566382	/nfs/dbraw/zinc/56/63/82/184566382.db2.gz	RJBFCRXBIQCMBC-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000316431667	382530602	/nfs/dbraw/zinc/53/06/02/382530602.db2.gz	JKGOAIKUNWIOJO-AGIUHOORSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000190513485	382671739	/nfs/dbraw/zinc/67/17/39/382671739.db2.gz	IYJVBMHYRSRIKF-WFASDCNBSA-N	-1	0	275.348	2.572	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1cnc2ccccc2n1	ZINC000190903081	382684504	/nfs/dbraw/zinc/68/45/04/382684504.db2.gz	PDSZDMVZTLYYMA-VIFPVBQESA-N	-1	0	280.312	2.576	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1n[nH]c(-c2ccc(C)o2)n1	ZINC000191137311	382692448	/nfs/dbraw/zinc/69/24/48/382692448.db2.gz	DEKGJSGALQMTGC-AWEZNQCLSA-N	-1	0	274.324	2.914	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000191232209	382696585	/nfs/dbraw/zinc/69/65/85/382696585.db2.gz	SYVREWGMMCPMKL-CYBMUJFWSA-N	-1	0	264.281	2.841	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1C#N	ZINC000577054064	382846092	/nfs/dbraw/zinc/84/60/92/382846092.db2.gz	WRFJBCBORSFCME-KGLIPLIRSA-N	-1	0	294.358	2.534	20	30		CFEDRM
COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(C)n1	ZINC000337345777	382807161	/nfs/dbraw/zinc/80/71/61/382807161.db2.gz	LNRUCFINAQBXCY-NSHDSACASA-N	-1	0	287.344	2.654	20	30		CFEDRM
C=CCCC(=O)N[C@](C)(CCCCCC)C(=O)[O-]	ZINC000236687627	382907510	/nfs/dbraw/zinc/90/75/10/382907510.db2.gz	IBZPIYAKRJZBCK-CQSZACIVSA-N	-1	0	255.358	2.883	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc3c2OCCC3)cc1[O-]	ZINC000442684885	382944496	/nfs/dbraw/zinc/94/44/96/382944496.db2.gz	ZEPLOHIAWLZSMA-UHFFFAOYSA-N	-1	0	294.310	2.841	20	30		CFEDRM
CCCN(CC#N)C(=O)c1cccc(Br)c1[O-]	ZINC000538743082	382960281	/nfs/dbraw/zinc/96/02/81/382960281.db2.gz	YKTINVOZDJGDJR-UHFFFAOYSA-N	-1	0	297.152	2.530	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447801071	383008277	/nfs/dbraw/zinc/00/82/77/383008277.db2.gz	AXAPLRPPQUVSAE-HNNXBMFYSA-N	-1	0	273.336	2.941	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000580097487	383077021	/nfs/dbraw/zinc/07/70/21/383077021.db2.gz	PFJICZVCYGHFEN-ZDUSSCGKSA-N	-1	0	267.369	2.713	20	30		CFEDRM
C=CCCCCCNC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-]	ZINC000565157990	383176504	/nfs/dbraw/zinc/17/65/04/383176504.db2.gz	PRBOWGNBEPHKCO-OLZOCXBDSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1	ZINC000565801916	383181744	/nfs/dbraw/zinc/18/17/44/383181744.db2.gz	VPBNCGLGAMLWEZ-ZETCQYMHSA-N	-1	0	298.264	2.574	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000565785411	383181873	/nfs/dbraw/zinc/18/18/73/383181873.db2.gz	QLWDKTAHVZRZRS-MRVPVSSYSA-N	-1	0	286.253	2.833	20	30		CFEDRM
Cc1cnc(C(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1	ZINC000562345537	383156628	/nfs/dbraw/zinc/15/66/28/383156628.db2.gz	XSVRGJCUQQEQFM-UHFFFAOYSA-N	-1	0	299.305	2.795	20	30		CFEDRM
C=CCCCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1	ZINC000562532850	383160279	/nfs/dbraw/zinc/16/02/79/383160279.db2.gz	ZUNMEFXZCFJPPU-UHFFFAOYSA-N	-1	0	288.391	2.506	20	30		CFEDRM
CCC(CC)(CNc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000567674577	383300433	/nfs/dbraw/zinc/30/04/33/383300433.db2.gz	RHLWVCYNRCZPCQ-UHFFFAOYSA-N	-1	0	297.358	2.831	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C(C)(C)CCC(=O)[O-])C1	ZINC000634928607	383407833	/nfs/dbraw/zinc/40/78/33/383407833.db2.gz	QUCZPGZWLBMWOW-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(CC)CNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634840502	383375891	/nfs/dbraw/zinc/37/58/91/383375891.db2.gz	NOSIYBVEKLOPMA-MRXNPFEDSA-N	-1	0	293.338	2.641	20	30		CFEDRM
C=CCN(CC=C)C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634851346	383381272	/nfs/dbraw/zinc/38/12/72/383381272.db2.gz	CPDGLTCGTWGWCU-OAHLLOKOSA-N	-1	0	267.369	2.714	20	30		CFEDRM
O=C([O-])C1(CC(=O)NCC#Cc2ccccc2)CCCCC1	ZINC000634856395	383383876	/nfs/dbraw/zinc/38/38/76/383383876.db2.gz	PBLXAHZNYOHHBS-UHFFFAOYSA-N	-1	0	299.370	2.580	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1cnc2ccccc2n1	ZINC000429564878	383546369	/nfs/dbraw/zinc/54/63/69/383546369.db2.gz	GHOAWSUWUJPZPF-SECBINFHSA-N	-1	0	280.312	2.576	20	30		CFEDRM
Cc1nc(N[C@H](CC(C)C)C(=O)[O-])c(Cl)cc1C#N	ZINC000261575711	383518548	/nfs/dbraw/zinc/51/85/48/383518548.db2.gz	BQVXWQHJRLZBKV-LLVKDONJSA-N	-1	0	281.743	2.826	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2[nH]1	ZINC000429676727	383557767	/nfs/dbraw/zinc/55/77/67/383557767.db2.gz	SDWKYEIOIAONHS-MRVPVSSYSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000262721655	383637516	/nfs/dbraw/zinc/63/75/16/383637516.db2.gz	FECMZDSFAMGEKQ-CZUORRHYSA-N	-1	0	279.380	2.905	20	30		CFEDRM
Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1ccncn1	ZINC000530500184	383773190	/nfs/dbraw/zinc/77/31/90/383773190.db2.gz	MFWZCEZWLOIZCW-LLVKDONJSA-N	-1	0	298.371	2.684	20	30		CFEDRM
Cc1c(C#N)c(N2CCC[C@H](C(=O)[O-])C2)nc2ccccc12	ZINC000263403592	383663428	/nfs/dbraw/zinc/66/34/28/383663428.db2.gz	JUZQHUWFJACSDY-LBPRGKRZSA-N	-1	0	295.342	2.716	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1ncc(Cl)c(C)c1C#N)C(=O)[O-]	ZINC000263428197	383665628	/nfs/dbraw/zinc/66/56/28/383665628.db2.gz	RUVDBNDNVMGSEM-CPCISQLKSA-N	-1	0	281.743	2.826	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(O)cc1	ZINC000436629588	383857042	/nfs/dbraw/zinc/85/70/42/383857042.db2.gz	VYOWVJVYSXHEFV-CLTKARDFSA-N	-1	0	266.256	2.527	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)[C@](C)(C#N)CC)c1	ZINC000436649917	383864334	/nfs/dbraw/zinc/86/43/34/383864334.db2.gz	XXQJMMINFDYGOV-HNNXBMFYSA-N	-1	0	274.320	2.863	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(CC#N)cc2)c1	ZINC000436678392	383870965	/nfs/dbraw/zinc/87/09/65/383870965.db2.gz	GWDGOTNPXLZYEJ-UHFFFAOYSA-N	-1	0	294.310	2.913	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1	ZINC000573120036	383876055	/nfs/dbraw/zinc/87/60/55/383876055.db2.gz	CCMDWXNLVQOILF-CYBMUJFWSA-N	-1	0	277.320	2.547	20	30		CFEDRM
CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H](CC)C(=O)[O-]	ZINC000573185997	383885162	/nfs/dbraw/zinc/88/51/62/383885162.db2.gz	JRDSTFGLLCDFBK-ZDUSSCGKSA-N	-1	0	289.335	2.665	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436841585	383897851	/nfs/dbraw/zinc/89/78/51/383897851.db2.gz	VNOUDWFUPQUUGT-UHFFFAOYSA-N	-1	0	282.702	2.727	20	30		CFEDRM
Cn1cc(C(=O)C(C#N)c2ccccn2)c(C2CCC2)n1	ZINC000574181446	384059668	/nfs/dbraw/zinc/05/96/68/384059668.db2.gz	FVSYUZWIEGIYRQ-GFCCVEGCSA-N	-1	0	280.331	2.573	20	30		CFEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1	ZINC000642209505	384413816	/nfs/dbraw/zinc/41/38/16/384413816.db2.gz	JZRCZAMWYFNFKA-UHFFFAOYSA-N	-1	0	282.299	2.613	20	30		CFEDRM
COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c(O)c1	ZINC000331249245	335052752	/nfs/dbraw/zinc/05/27/52/335052752.db2.gz	VINBEXJQPKNYGE-GHMZBOCLSA-N	-1	0	279.336	2.521	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)C1	ZINC000639964647	385796953	/nfs/dbraw/zinc/79/69/53/385796953.db2.gz	KOBJCRHJUBZYRN-UHFFFAOYSA-N	-1	0	272.308	2.668	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000281724571	195353790	/nfs/dbraw/zinc/35/37/90/195353790.db2.gz	NQVQZYKLZTXLTQ-VIFPVBQESA-N	-1	0	255.264	2.755	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000263298121	533535508	/nfs/dbraw/zinc/53/55/08/533535508.db2.gz	TTXZGSDBMAIVGF-SWLSCSKDSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C[C@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(C#N)cc1	ZINC000341746016	130016861	/nfs/dbraw/zinc/01/68/61/130016861.db2.gz	ULGNURWQLHOEOJ-VIFPVBQESA-N	-1	0	297.343	2.660	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nccc2ccccc21	ZINC000682994239	542623205	/nfs/dbraw/zinc/62/32/05/542623205.db2.gz	GSAYDDCEJFCXJI-GFCCVEGCSA-N	-1	0	263.256	2.713	20	30		CFEDRM
N#Cc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1	ZINC000355363565	130289790	/nfs/dbraw/zinc/28/97/90/130289790.db2.gz	CWSAKZKEPFZVMF-SNAWJCMRSA-N	-1	0	256.286	2.883	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1	ZINC000355378153	130295562	/nfs/dbraw/zinc/29/55/62/130295562.db2.gz	OTPGFENJBBBBCW-AATRIKPKSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000192880505	130557448	/nfs/dbraw/zinc/55/74/48/130557448.db2.gz	WCSBXPKFGYJYMM-GFCCVEGCSA-N	-1	0	291.347	2.999	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000237573997	131042481	/nfs/dbraw/zinc/04/24/81/131042481.db2.gz	DAAZFZXFDVRQBX-LBPRGKRZSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000263282435	131288252	/nfs/dbraw/zinc/28/82/52/131288252.db2.gz	OUGBNLWDZFGMQT-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000263290799	131288790	/nfs/dbraw/zinc/28/87/90/131288790.db2.gz	QYAGXDUIACAWAM-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2o1	ZINC000683690187	542709319	/nfs/dbraw/zinc/70/93/19/542709319.db2.gz	YKJOXWPBQYNKEV-MRVPVSSYSA-N	-1	0	269.285	2.774	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000178768922	393449150	/nfs/dbraw/zinc/44/91/50/393449150.db2.gz	NPLNFKFETCZBRF-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CCCc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)sc1C	ZINC000026274745	393494462	/nfs/dbraw/zinc/49/44/62/393494462.db2.gz	AUQDEXMWTYFWDJ-UHFFFAOYSA-N	-1	0	299.359	2.728	20	30		CFEDRM
Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C#N	ZINC000074932496	393667535	/nfs/dbraw/zinc/66/75/35/393667535.db2.gz	RALXZSHLTNHQDI-UHFFFAOYSA-N	-1	0	286.356	2.809	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1[O-]	ZINC000194806351	393717366	/nfs/dbraw/zinc/71/73/66/393717366.db2.gz	HZVZZBDFZSJTCZ-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCC2(OC)CCC2)s1	ZINC000338507737	393788973	/nfs/dbraw/zinc/78/89/73/393788973.db2.gz	DLKPBCKDTBGBAI-UHFFFAOYSA-N	-1	0	285.438	2.609	20	30		CFEDRM
C=CCCC[C@@H](C)N=c1[n-]nc(-c2ccon2)s1	ZINC000342935806	393873788	/nfs/dbraw/zinc/87/37/88/393873788.db2.gz	TVVKJJCKHQMHPI-SECBINFHSA-N	-1	0	264.354	2.772	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1	ZINC000438986114	394092744	/nfs/dbraw/zinc/09/27/44/394092744.db2.gz	PKROHULNNWTSKN-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436930900	394036038	/nfs/dbraw/zinc/03/60/38/394036038.db2.gz	HYFPDWQAMNBVMV-HWKANZROSA-N	-1	0	267.244	2.737	20	30		CFEDRM
Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(C)cc1Cl	ZINC000359215834	394127246	/nfs/dbraw/zinc/12/72/46/394127246.db2.gz	IYJPSTVKQJESJE-UHFFFAOYSA-N	-1	0	299.721	2.676	20	30		CFEDRM
N#Cc1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)ccc1Cl	ZINC000542550258	394706721	/nfs/dbraw/zinc/70/67/21/394706721.db2.gz	HPWOVQDXFMYSMF-UHFFFAOYSA-N	-1	0	298.733	2.553	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647377919	395320646	/nfs/dbraw/zinc/32/06/46/395320646.db2.gz	AQGCZZOJDWWHLV-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000653296389	413280334	/nfs/dbraw/zinc/28/03/34/413280334.db2.gz	OQGSJNVDTNEWHK-OLZOCXBDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000652079498	413816193	/nfs/dbraw/zinc/81/61/93/413816193.db2.gz	HBLIYNOECOHJDF-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000652079500	413817640	/nfs/dbraw/zinc/81/76/40/413817640.db2.gz	HBLIYNOECOHJDF-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
N#Cc1cccc(CNc2cccc(C(=O)[O-])c2)c1	ZINC000037308078	173111031	/nfs/dbraw/zinc/11/10/31/173111031.db2.gz	OVJXKWTWCCPTIC-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000037375352	173165785	/nfs/dbraw/zinc/16/57/85/173165785.db2.gz	BNUCSOUTHIMDEG-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC000659168552	414459804	/nfs/dbraw/zinc/45/98/04/414459804.db2.gz	XJGDRASXMNXROQ-YPMHNXCESA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CCOC[C@@H](NC(=O)CCC1CCCCCC1)C(=O)[O-]	ZINC000656244429	414549021	/nfs/dbraw/zinc/54/90/21/414549021.db2.gz	XQBJLABYQWTATL-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655880918	414487208	/nfs/dbraw/zinc/48/72/08/414487208.db2.gz	YVRBKCXVUZNMHP-SDDRHHMPSA-N	-1	0	296.411	2.633	20	30		CFEDRM
C=CCCCCCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC000656246794	414549909	/nfs/dbraw/zinc/54/99/09/414549909.db2.gz	XGEJMVNQJSBBBM-UHFFFAOYSA-N	-1	0	275.348	2.790	20	30		CFEDRM
C=CCC1(NC(=O)NCCC(C)(C)C(=O)[O-])CCCC1	ZINC000659407354	414516875	/nfs/dbraw/zinc/51/68/75/414516875.db2.gz	AYKFRKDUTGVWJF-UHFFFAOYSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCCCC(=O)[O-]	ZINC000659407732	414516993	/nfs/dbraw/zinc/51/69/93/414516993.db2.gz	LMXILBGVTLGZAR-STQMWFEESA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCC1	ZINC000659409577	414517160	/nfs/dbraw/zinc/51/71/60/414517160.db2.gz	QFZUHQMAHHHYSR-CYBMUJFWSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C(=O)[O-])C(C)C	ZINC000659411253	414518048	/nfs/dbraw/zinc/51/80/48/414518048.db2.gz	MBARKECFBQAPRG-RDBSUJKOSA-N	-1	0	296.411	2.777	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)o1	ZINC000344629007	225121858	/nfs/dbraw/zinc/12/18/58/225121858.db2.gz	GUFJAHKCQPQDEW-JTQLQIEISA-N	-1	0	280.287	2.658	20	30		CFEDRM
C[C@@H]1C[C@]1(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000334643093	225233854	/nfs/dbraw/zinc/23/38/54/225233854.db2.gz	CSZKOXRWQJATDG-JMCQJSRRSA-N	-1	0	250.685	2.534	20	30		CFEDRM
N#CCC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000336144079	228197138	/nfs/dbraw/zinc/19/71/38/228197138.db2.gz	MIYZWUYHNQNQQH-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cc1	ZINC000046927566	260653702	/nfs/dbraw/zinc/65/37/02/260653702.db2.gz	VMBPLZYTPXWWRI-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
N#CC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCC1	ZINC000155805695	261108168	/nfs/dbraw/zinc/10/81/68/261108168.db2.gz	RMZMRGVFHYPVMJ-UHFFFAOYSA-N	-1	0	298.264	2.947	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000334746043	262281989	/nfs/dbraw/zinc/28/19/89/262281989.db2.gz	BGWKVHMQKQTBCU-LBPRGKRZSA-N	-1	0	254.236	2.549	20	30		CFEDRM
C[C@H]1C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271220090	262995058	/nfs/dbraw/zinc/99/50/58/262995058.db2.gz	OTBZZQSKLCUBBM-GPBXAPRUSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C[C@@H]1C[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271260079	262995346	/nfs/dbraw/zinc/99/53/46/262995346.db2.gz	IIVZOXZQLCRWEY-JDTFSJQSSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C[C@H]1C[C@@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000273317531	263015383	/nfs/dbraw/zinc/01/53/83/263015383.db2.gz	FATZZXSRCGZLDS-ATARQRRYSA-N	-1	0	292.335	2.925	20	30		CFEDRM
COCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000353416751	263020732	/nfs/dbraw/zinc/02/07/32/263020732.db2.gz	PRXZLAXIOJNKPU-QMMMGPOBSA-N	-1	0	293.373	2.545	20	30		CFEDRM
N#CC1(NC(=O)c2ccc([O-])c(Cl)c2)CCCC1	ZINC000040217101	263282407	/nfs/dbraw/zinc/28/24/07/263282407.db2.gz	QGHIYLJYLYHROK-UHFFFAOYSA-N	-1	0	264.712	2.612	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)n(C(F)F)n2)n1	ZINC000341983199	263370584	/nfs/dbraw/zinc/37/05/84/263370584.db2.gz	FEMSBTKGZKNLRN-QMMMGPOBSA-N	-1	0	296.302	2.842	20	30		CFEDRM
CCCCOc1ccccc1[N-]S(=O)(=O)[C@H](C#N)CC	ZINC000416933720	263762600	/nfs/dbraw/zinc/76/26/00/263762600.db2.gz	BSOWZSYUMCEROU-LBPRGKRZSA-N	-1	0	296.392	2.909	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000190513505	264416621	/nfs/dbraw/zinc/41/66/21/264416621.db2.gz	IYJVBMHYRSRIKF-SWLSCSKDSA-N	-1	0	275.348	2.572	20	30		CFEDRM
C=C[C@@H](CC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000191015044	264454748	/nfs/dbraw/zinc/45/47/48/264454748.db2.gz	XYUKMWHXZRNAIE-LBPRGKRZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362177043	266940142	/nfs/dbraw/zinc/94/01/42/266940142.db2.gz	COPGPHSHQVZCGV-VIFPVBQESA-N	-1	0	295.220	2.887	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(C#N)c3ccccc3n2)C1	ZINC000399121346	270326768	/nfs/dbraw/zinc/32/67/68/270326768.db2.gz	ZMATVFVJYMXIQG-AAEUAGOBSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccnc(C)c2C#N)c1	ZINC001243181169	782042513	/nfs/dbraw/zinc/04/25/13/782042513.db2.gz	JXQLZNGPEVXMGA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C#N	ZINC000137186535	280786891	/nfs/dbraw/zinc/78/68/91/280786891.db2.gz	WVUASGZIEOAYBZ-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(Br)cc1C#N	ZINC000229154064	289614417	/nfs/dbraw/zinc/61/44/17/289614417.db2.gz	GBIFYEIYGXNVDI-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
Cc1ccc(-c2ncc(C#N)cc2F)cc1C(=O)[O-]	ZINC001243193896	782054143	/nfs/dbraw/zinc/05/41/43/782054143.db2.gz	TVTHNLRKRNRDEG-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C[C@H]1CCN(c2c(Cl)cccc2C#N)C[C@H]1C(=O)[O-]	ZINC000564084997	290191877	/nfs/dbraw/zinc/19/18/77/290191877.db2.gz	SGRVWBOHIKDPHA-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1ccc(-c2cncc(F)c2C#N)cc1C(=O)[O-]	ZINC001243197021	782058495	/nfs/dbraw/zinc/05/84/95/782058495.db2.gz	HWRLBYDRHRUPSB-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccnc(-c2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001243202687	782063499	/nfs/dbraw/zinc/06/34/99/782063499.db2.gz	XLPKMLNECHSYKW-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#CC(=C([O-])c1cncnc1)c1nc2ccccc2s1	ZINC000355300189	303157571	/nfs/dbraw/zinc/15/75/71/303157571.db2.gz	RTOXCGBFNALJIJ-JTQLQIEISA-N	-1	0	280.312	2.576	20	30		CFEDRM
N#C[C@@H]1CC[C@H](N=c2nc(C3CCCC3)[n-]s2)C1	ZINC000333476546	303160539	/nfs/dbraw/zinc/16/05/39/303160539.db2.gz	OOQPNXUJQJKKFZ-KOLCDFICSA-N	-1	0	262.382	2.722	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC(C(=O)[O-])CC1	ZINC000037333791	303180284	/nfs/dbraw/zinc/18/02/84/303180284.db2.gz	XCIURQNXMOBNGP-UHFFFAOYSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@@H](C(=O)[O-])C1	ZINC000262145359	303203641	/nfs/dbraw/zinc/20/36/41/303203641.db2.gz	QIRMMFDFOCLJID-SNVBAGLBSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccnc(C)c1C#N	ZINC001243211171	782071573	/nfs/dbraw/zinc/07/15/73/782071573.db2.gz	CDBAONHCBJWYRD-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243215027	782076678	/nfs/dbraw/zinc/07/66/78/782076678.db2.gz	ZCYHBZIFHAASQL-UHFFFAOYSA-N	-1	0	267.288	2.584	20	30		CFEDRM
CO[C@@](C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CC1	ZINC000291009598	328261775	/nfs/dbraw/zinc/26/17/75/328261775.db2.gz	USXJPMRBWOGXAR-GFKDLEGOSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000292570968	328271946	/nfs/dbraw/zinc/27/19/46/328271946.db2.gz	UQQLCTCOHDGODK-ZDUSSCGKSA-N	-1	0	282.702	2.607	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]nc(C(F)(F)F)s1	ZINC000340929755	328402338	/nfs/dbraw/zinc/40/23/38/328402338.db2.gz	AZPIUNSJLBDMAW-UHFFFAOYSA-N	-1	0	278.303	2.721	20	30		CFEDRM
Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000181139719	323802215	/nfs/dbraw/zinc/80/22/15/323802215.db2.gz	FADGZSFNPMYURI-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CC1(C)CC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])O1	ZINC000330595154	328464871	/nfs/dbraw/zinc/46/48/71/328464871.db2.gz	BLAFWNJXDBEZLX-JTQLQIEISA-N	-1	0	294.307	2.563	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2csc(C#N)c2)n1	ZINC000578084147	324815696	/nfs/dbraw/zinc/81/56/96/324815696.db2.gz	QUTYVYFCUUACLP-UHFFFAOYSA-N	-1	0	275.333	2.936	20	30		CFEDRM
CCC[C@H](CC)S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000581373142	325115145	/nfs/dbraw/zinc/11/51/45/325115145.db2.gz	KGOBWXQEGQEIGG-LBPRGKRZSA-N	-1	0	298.412	2.656	20	30		CFEDRM
C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000582845285	325238790	/nfs/dbraw/zinc/23/87/90/325238790.db2.gz	OBFSPJNLASKEAI-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000398222475	326875341	/nfs/dbraw/zinc/87/53/41/326875341.db2.gz	OJIQBAXDYQMBBL-CHWSQXEVSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000398221826	326875507	/nfs/dbraw/zinc/87/55/07/326875507.db2.gz	OEMCCJQGGDAKCQ-NSHDSACASA-N	-1	0	270.373	2.531	20	30		CFEDRM
N#CCc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000559250629	327150702	/nfs/dbraw/zinc/15/07/02/327150702.db2.gz	BRASOUXQUZHQAD-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
CCc1cnccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000180359167	329215416	/nfs/dbraw/zinc/21/54/16/329215416.db2.gz	QALXWZOEQQPVDI-LBPRGKRZSA-N	-1	0	271.345	2.899	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc2ccccc2o1	ZINC000181433372	329236783	/nfs/dbraw/zinc/23/67/83/329236783.db2.gz	BUHIYYUQKMBYOX-LLVKDONJSA-N	-1	0	276.255	2.518	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000183118857	329244777	/nfs/dbraw/zinc/24/47/77/329244777.db2.gz	ZMFNXWWVYXAMAI-JTQLQIEISA-N	-1	0	280.287	2.658	20	30		CFEDRM
C=CCn1c(-c2ccoc2)n[n-]c1=Nc1cccc(OC)c1	ZINC000583016629	329302994	/nfs/dbraw/zinc/30/29/94/329302994.db2.gz	AZKHUAJFWKCTFF-UHFFFAOYSA-N	-1	0	296.330	2.898	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000398235349	329439038	/nfs/dbraw/zinc/43/90/38/329439038.db2.gz	VVWQBDIGAHRVEV-JQWIXIFHSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=CCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-]	ZINC000124087982	329566611	/nfs/dbraw/zinc/56/66/11/329566611.db2.gz	OWYKNIZWKMXCMS-UHFFFAOYSA-N	-1	0	285.347	2.617	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1ccccc1F)C(=O)[O-]	ZINC000262868238	330035838	/nfs/dbraw/zinc/03/58/38/330035838.db2.gz	JIJALRHYDGBCQB-ZDUSSCGKSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000262898618	330036350	/nfs/dbraw/zinc/03/63/50/330036350.db2.gz	MAXSVHOUQIPJGR-JSGCOSHPSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000262994144	330038176	/nfs/dbraw/zinc/03/81/76/330038176.db2.gz	VPFOQZFUZWVKLB-VIFPVBQESA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-]	ZINC000263003766	330038634	/nfs/dbraw/zinc/03/86/34/330038634.db2.gz	WOVYRGVUMDPNBT-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1ccc(C)cc1C)C(=O)[O-]	ZINC000263012996	330038858	/nfs/dbraw/zinc/03/88/58/330038858.db2.gz	XICUDUZWQNYPDY-OAHLLOKOSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=CCC[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccccc1	ZINC000263288041	330051804	/nfs/dbraw/zinc/05/18/04/330051804.db2.gz	UUZKHNXQCNUOJF-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccoc1C(C)C)C(=O)[O-]	ZINC000263482889	330057520	/nfs/dbraw/zinc/05/75/20/330057520.db2.gz	AZEXXSGWEQLDIK-LLVKDONJSA-N	-1	0	265.309	2.552	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C(=O)[O-]	ZINC000263513047	330058355	/nfs/dbraw/zinc/05/83/55/330058355.db2.gz	CXNDEXDSSVIIOF-CABCVRRESA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(F)c(SC)c1)C(=O)[O-]	ZINC000263533754	330059129	/nfs/dbraw/zinc/05/91/29/330059129.db2.gz	NPWKWTJABBIPPB-NSHDSACASA-N	-1	0	297.351	2.697	20	30		CFEDRM
CC(C)(C#N)CCCCSc1n[n-]c(=N)n1C1CC1	ZINC000436208210	330670995	/nfs/dbraw/zinc/67/09/95/330670995.db2.gz	IXLDQOHYICGALN-UHFFFAOYSA-N	-1	0	279.413	2.838	20	30		CFEDRM
COCc1n[n-]c(=N[C@@H](CCC#N)c2ccccc2)s1	ZINC000439099062	330733818	/nfs/dbraw/zinc/73/38/18/330733818.db2.gz	IZDNDBFGSMRFEW-LBPRGKRZSA-N	-1	0	288.376	2.563	20	30		CFEDRM
CCC(CC)(CC(=O)NCC1CCC(C#N)CC1)C(=O)[O-]	ZINC000443035653	330793165	/nfs/dbraw/zinc/79/31/65/330793165.db2.gz	UZEMMXPRRWCKGH-UHFFFAOYSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC000447504370	330867137	/nfs/dbraw/zinc/86/71/37/330867137.db2.gz	NFQDOYOGWBLNJG-VIFPVBQESA-N	-1	0	291.738	2.536	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N=c1[n-]nc(CCCC)s1	ZINC000454217680	331141992	/nfs/dbraw/zinc/14/19/92/331141992.db2.gz	ABRUNJSEVITOEK-UHFFFAOYSA-N	-1	0	282.413	2.636	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2cnc(C)cn2)s1	ZINC000488252866	331995627	/nfs/dbraw/zinc/99/56/27/331995627.db2.gz	RZXIUPAFGTZQCQ-VIFPVBQESA-N	-1	0	293.421	2.510	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000491716322	332306170	/nfs/dbraw/zinc/30/61/70/332306170.db2.gz	SXWUIXCLZZOPDG-JTQLQIEISA-N	-1	0	274.345	2.648	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)o1	ZINC000193380522	333249082	/nfs/dbraw/zinc/24/90/82/333249082.db2.gz	MRKSZIMKEWNTBN-NSHDSACASA-N	-1	0	279.299	2.965	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1cccc(Br)c1[O-]	ZINC000545155181	333964919	/nfs/dbraw/zinc/96/49/19/333964919.db2.gz	GIRCBAHTGJTEMJ-QMMMGPOBSA-N	-1	0	297.152	2.577	20	30		CFEDRM
N#CC(=C([O-])c1cnc([C@@H]2CCCO2)s1)c1ccccn1	ZINC000089966709	334354420	/nfs/dbraw/zinc/35/44/20/334354420.db2.gz	UGHDNAFMVWPSID-PWSUYJOCSA-N	-1	0	299.355	2.880	20	30		CFEDRM
Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(C#N)CC(C)C3)c2C)o1	ZINC000566601114	334656938	/nfs/dbraw/zinc/65/69/38/334656938.db2.gz	ZECCRVGBNILVSW-UHFFFAOYSA-N	-1	0	298.346	2.587	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCc1ccc(CC)s1)C(=O)[O-]	ZINC000316017525	334816197	/nfs/dbraw/zinc/81/61/97/334816197.db2.gz	IVOUAIWOHGRYFF-LBPRGKRZSA-N	-1	0	296.392	2.529	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F	ZINC000573056339	334903837	/nfs/dbraw/zinc/90/38/37/334903837.db2.gz	XZYRZJKGAJSRHD-NSHDSACASA-N	-1	0	293.310	2.786	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC2CCCC2)s1	ZINC000381143676	336052181	/nfs/dbraw/zinc/05/21/81/336052181.db2.gz	NDCCCEFBKHTTEY-UHFFFAOYSA-N	-1	0	255.412	2.840	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000581558832	336103001	/nfs/dbraw/zinc/10/30/01/336103001.db2.gz	CBQKTHDEACLNFQ-CQSZACIVSA-N	-1	0	289.375	2.745	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000581945136	336174276	/nfs/dbraw/zinc/17/42/76/336174276.db2.gz	USLDOJGIIGEXDV-SSDOTTSWSA-N	-1	0	284.699	2.648	20	30		CFEDRM
CSc1ccc(C)c(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354470479	534191733	/nfs/dbraw/zinc/19/17/33/534191733.db2.gz	RREOMSPLFISIGQ-ZDUSSCGKSA-N	-1	0	283.356	2.997	20	30		CFEDRM
CC(C)C[C@@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232617303	519254383	/nfs/dbraw/zinc/25/43/83/519254383.db2.gz	CVYWBNICSXGJRE-SECBINFHSA-N	-1	0	267.716	2.518	20	30		CFEDRM
CCCCC[C@H](CC)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000182510251	520310485	/nfs/dbraw/zinc/31/04/85/520310485.db2.gz	ZQQWAAXOXPQHRZ-JTQLQIEISA-N	-1	0	273.340	2.698	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000191517506	534564595	/nfs/dbraw/zinc/56/45/95/534564595.db2.gz	HDUDQPMXJNCLRD-UHFFFAOYSA-N	-1	0	279.380	2.906	20	30		CFEDRM
COc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)cc1C#N	ZINC000340590873	523405833	/nfs/dbraw/zinc/40/58/33/523405833.db2.gz	RLBMZQVLWAYYKA-DUXPYHPUSA-N	-1	0	280.283	2.830	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1cccc(Br)c1C#N	ZINC000164973939	524396288	/nfs/dbraw/zinc/39/62/88/524396288.db2.gz	DGKSRELBBWPVIP-ZETCQYMHSA-N	-1	0	283.125	2.596	20	30		CFEDRM
N#Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1	ZINC000317865013	526689786	/nfs/dbraw/zinc/68/97/86/526689786.db2.gz	PUVFTBPUQFCCLW-UHFFFAOYSA-N	-1	0	297.270	2.777	20	30		CFEDRM
N#Cc1ccccc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000339406390	526735225	/nfs/dbraw/zinc/73/52/25/526735225.db2.gz	HDKHRUZQRYYNPI-FNORWQNLSA-N	-1	0	275.267	2.694	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(C)C)o2)cc1	ZINC000347815206	526874920	/nfs/dbraw/zinc/87/49/20/526874920.db2.gz	MNMWCSUMYSPTMN-UHFFFAOYSA-N	-1	0	273.336	2.792	20	30		CFEDRM
CC(C)(C#N)CNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000336144035	527483495	/nfs/dbraw/zinc/48/34/95/527483495.db2.gz	CJPPQCUAWKQIFJ-UHFFFAOYSA-N	-1	0	287.146	2.979	20	30		CFEDRM
CCC(CC)(CC(=O)NCC(C)(C)CCC#N)C(=O)[O-]	ZINC000352205300	528618290	/nfs/dbraw/zinc/61/82/90/528618290.db2.gz	DRRKVKDJVYIEGU-UHFFFAOYSA-N	-1	0	282.384	2.714	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)c1	ZINC000935106370	649876087	/nfs/dbraw/zinc/87/60/87/649876087.db2.gz	DCJGHOYIEZMFTO-WFASDCNBSA-N	-1	0	286.331	2.550	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1cccc(C(=O)[O-])c1	ZINC000736425800	574050994	/nfs/dbraw/zinc/05/09/94/574050994.db2.gz	FGTYNPLJNIFECK-UHFFFAOYSA-N	-1	0	288.347	2.787	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000736427831	574051544	/nfs/dbraw/zinc/05/15/44/574051544.db2.gz	VUPLOSIAPGQDLI-KGLIPLIRSA-N	-1	0	294.395	2.666	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCCOc1cccc(C#N)c1	ZINC000736551752	574059395	/nfs/dbraw/zinc/05/93/95/574059395.db2.gz	HGTKKDWYBWYLBJ-SNVBAGLBSA-N	-1	0	265.334	2.533	20	30		CFEDRM
CCCC[C@H](Sc1nc(C)nc(C)c1C#N)C(=O)[O-]	ZINC000736984020	574091583	/nfs/dbraw/zinc/09/15/83/574091583.db2.gz	DPTOFGZRPFCDEE-NSHDSACASA-N	-1	0	279.365	2.701	20	30		CFEDRM
C#C[C@H](CC)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000754389745	574102418	/nfs/dbraw/zinc/10/24/18/574102418.db2.gz	JFWFFNPDMNVMOW-MRVPVSSYSA-N	-1	0	272.131	2.841	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/C[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000737203661	574118302	/nfs/dbraw/zinc/11/83/02/574118302.db2.gz	RBOUFVSMRSDPGX-LFMVTYOGSA-N	-1	0	293.363	2.957	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C)o1	ZINC000756898820	574133356	/nfs/dbraw/zinc/13/33/56/574133356.db2.gz	DEWDFAPXNSYLQQ-UHFFFAOYSA-N	-1	0	274.276	2.741	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)CSc1ccccc1	ZINC000737527276	574146398	/nfs/dbraw/zinc/14/63/98/574146398.db2.gz	JCKNTOXZTNUYFK-LBPRGKRZSA-N	-1	0	293.388	2.514	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cn3cccc(F)c3n2)cc1	ZINC000755456159	574163264	/nfs/dbraw/zinc/16/32/64/574163264.db2.gz	SYFFRYDLFRPDEJ-UHFFFAOYSA-N	-1	0	298.277	2.618	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H]2C[C@H]2c2ccccc2)n1	ZINC000755463421	574163443	/nfs/dbraw/zinc/16/34/43/574163443.db2.gz	IOSHDFNBSVPOAW-STQMWFEESA-N	-1	0	268.320	2.692	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)o1	ZINC000738347127	574165564	/nfs/dbraw/zinc/16/55/64/574165564.db2.gz	ADEIRTGDLCVKNU-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
CC(C)n1cc(C=NNc2ccc(C(=O)[O-])cc2)cn1	ZINC000732710930	574166880	/nfs/dbraw/zinc/16/68/80/574166880.db2.gz	UWMADKUHZYNOMK-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
N#Cc1cnc(Nc2cccc(CC(=O)[O-])c2)c(Cl)c1	ZINC000738435345	574168816	/nfs/dbraw/zinc/16/88/16/574168816.db2.gz	KCQKDGSRIVSLRV-UHFFFAOYSA-N	-1	0	287.706	2.977	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)ccc1O	ZINC000755602228	574170653	/nfs/dbraw/zinc/17/06/53/574170653.db2.gz	UMQNLYWSCIDLME-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(NC(=O)[O-])cc1	ZINC000738486062	574170674	/nfs/dbraw/zinc/17/06/74/574170674.db2.gz	YXZJNLGWVRWHPT-UHFFFAOYSA-N	-1	0	265.338	2.639	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738492927	574171409	/nfs/dbraw/zinc/17/14/09/574171409.db2.gz	LHLAMWXAKVFZMZ-UHFFFAOYSA-N	-1	0	287.678	2.790	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1	ZINC000738493354	574171730	/nfs/dbraw/zinc/17/17/30/574171730.db2.gz	MQKDDSHTDHMRMM-UHFFFAOYSA-N	-1	0	299.714	2.659	20	30		CFEDRM
C=CCCOC(=O)c1cccn1C1CCN(C(=O)[O-])CC1	ZINC000738493171	574171765	/nfs/dbraw/zinc/17/17/65/574171765.db2.gz	KVJCTAQVQKPIGQ-UHFFFAOYSA-N	-1	0	292.335	2.536	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccccc1NC(=O)[O-]	ZINC000738494021	574171777	/nfs/dbraw/zinc/17/17/77/574171777.db2.gz	WDGJFCFNIJVIJC-JTQLQIEISA-N	-1	0	278.308	2.696	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccnc3ccccc23)CC1	ZINC000738531246	574171970	/nfs/dbraw/zinc/17/19/70/574171970.db2.gz	LTRMLXPKWFYNMN-UHFFFAOYSA-N	-1	0	283.331	2.699	20	30		CFEDRM
Cc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1	ZINC000738594928	574175117	/nfs/dbraw/zinc/17/51/17/574175117.db2.gz	ZEUZNJFTTJGHIA-HNNXBMFYSA-N	-1	0	284.315	2.717	20	30		CFEDRM
Cc1ccc(OC(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1	ZINC000738640258	574177650	/nfs/dbraw/zinc/17/76/50/574177650.db2.gz	XKGCHIYMKCKIHN-UHFFFAOYSA-N	-1	0	295.294	2.979	20	30		CFEDRM
Cc1cccc(C[C@@H](CNc2ccc(C#N)cn2)C(=O)[O-])c1	ZINC000738707984	574181574	/nfs/dbraw/zinc/18/15/74/574181574.db2.gz	NRHKEWWKQQHSPO-HNNXBMFYSA-N	-1	0	295.342	2.617	20	30		CFEDRM
C[C@@H](CC#N)OC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738891543	574189507	/nfs/dbraw/zinc/18/95/07/574189507.db2.gz	DHMRKEWYHDXETI-WCQYABFASA-N	-1	0	290.319	2.621	20	30		CFEDRM
Cc1oc(C=NNc2ccnc3ccccc32)cc1C(=O)[O-]	ZINC000738968798	574191753	/nfs/dbraw/zinc/19/17/53/574191753.db2.gz	AHMIBLIXXNXDHB-UHFFFAOYSA-N	-1	0	295.298	2.702	20	30		CFEDRM
N#CCC[C@@H](C#N)CNc1cccc(NC(=O)[O-])c1	ZINC000739069367	574196591	/nfs/dbraw/zinc/19/65/91/574196591.db2.gz	PQXBMEKDTDEXBG-JTQLQIEISA-N	-1	0	258.281	2.632	20	30		CFEDRM
N#CCN(Cc1cccc(C(=O)[O-])c1)C1CCCC1	ZINC000739085745	574197381	/nfs/dbraw/zinc/19/73/81/574197381.db2.gz	KGBXKUCVOIMKHR-UHFFFAOYSA-N	-1	0	258.321	2.653	20	30		CFEDRM
N#Cc1ccc(-c2ccn(Cc3ccc(C(=O)[O-])o3)n2)cc1	ZINC000739101251	574198486	/nfs/dbraw/zinc/19/84/86/574198486.db2.gz	FEXRYWHRHLTCEG-UHFFFAOYSA-N	-1	0	293.282	2.761	20	30		CFEDRM
N#Cc1ccc([C@@H](NCc2cccs2)C(=O)[O-])cc1	ZINC000739105585	574198892	/nfs/dbraw/zinc/19/88/92/574198892.db2.gz	ICRPIWFVHVINLU-CYBMUJFWSA-N	-1	0	272.329	2.535	20	30		CFEDRM
N#Cc1ccc([C@H](Nc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739111959	574199153	/nfs/dbraw/zinc/19/91/53/574199153.db2.gz	WSHZMYQOIGCHHF-AWEZNQCLSA-N	-1	0	270.263	2.935	20	30		CFEDRM
N#Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)nc1	ZINC000739120849	574199296	/nfs/dbraw/zinc/19/92/96/574199296.db2.gz	FGFCAJHNCDJWLW-UHFFFAOYSA-N	-1	0	282.303	2.698	20	30		CFEDRM
N#Cc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1	ZINC000739133571	574199476	/nfs/dbraw/zinc/19/94/76/574199476.db2.gz	KGSGGDMFMKNZHJ-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
CN(C(=O)[O-])C1CCN(c2ccc(C#N)c(Cl)c2)CC1	ZINC000739593922	574220170	/nfs/dbraw/zinc/22/01/70/574220170.db2.gz	PONKAKCDMOKLPR-UHFFFAOYSA-N	-1	0	293.754	2.790	20	30		CFEDRM
CN(C[C@H]1CCCN(c2cccc(F)c2C#N)C1)C(=O)[O-]	ZINC000739646464	574221393	/nfs/dbraw/zinc/22/13/93/574221393.db2.gz	VNJUMTLVPBCNID-LLVKDONJSA-N	-1	0	291.326	2.524	20	30		CFEDRM
CC/C=C(/C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000729701956	574229690	/nfs/dbraw/zinc/22/96/90/574229690.db2.gz	PIOYTXTWDUXGDT-YOOZJCNJSA-N	-1	0	292.360	2.527	20	30		CFEDRM
N#Cc1cccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000748132955	574230984	/nfs/dbraw/zinc/23/09/84/574230984.db2.gz	IIPMOOQQCFPIRZ-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
C[C@H](NN=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000748134022	574231073	/nfs/dbraw/zinc/23/10/73/574231073.db2.gz	SYQYAOQAZZFEHA-NSHDSACASA-N	-1	0	285.303	2.985	20	30		CFEDRM
O=C([O-])Nc1cccc(C(=O)NCC#Cc2ccccc2)c1	ZINC000740028739	574232759	/nfs/dbraw/zinc/23/27/59/574232759.db2.gz	HWQXBQAUDKQDJY-UHFFFAOYSA-N	-1	0	294.310	2.558	20	30		CFEDRM
C=CCCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000748241228	574242689	/nfs/dbraw/zinc/24/26/89/574242689.db2.gz	ZXMMINTXCWDSNZ-NSHDSACASA-N	-1	0	292.360	2.527	20	30		CFEDRM
N#C[C@H](C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1	ZINC000740304147	574245981	/nfs/dbraw/zinc/24/59/81/574245981.db2.gz	QXDUXIZMYBGJNT-JTQLQIEISA-N	-1	0	299.261	2.801	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NC[C@H]1CCCN1C(=O)[O-]	ZINC000740315024	574246474	/nfs/dbraw/zinc/24/64/74/574246474.db2.gz	JPRWNEOQMVNOIU-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1	ZINC000740314615	574246544	/nfs/dbraw/zinc/24/65/44/574246544.db2.gz	ZAHFGHNKDPQGHB-UHFFFAOYSA-N	-1	0	298.302	2.645	20	30		CFEDRM
N#Cc1nc(NC[C@H]2CCCCN2C(=O)[O-])ccc1Cl	ZINC000740324995	574247256	/nfs/dbraw/zinc/24/72/56/574247256.db2.gz	RSLBMTADPYMJSG-SECBINFHSA-N	-1	0	294.742	2.551	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000740322121	574247330	/nfs/dbraw/zinc/24/73/30/574247330.db2.gz	PFVYFPFGCOMINQ-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
CC(F)(F)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748411196	574251033	/nfs/dbraw/zinc/25/10/33/574251033.db2.gz	LRIBEPHXEWVOEC-UHFFFAOYSA-N	-1	0	254.236	2.638	20	30		CFEDRM
O=C([O-])N1CC[C@@H](/N=C\c2c(O)ccc3ccccc32)C1	ZINC000740505124	574252167	/nfs/dbraw/zinc/25/21/67/574252167.db2.gz	IOKQDGJAHQUUQH-AXIYWZQUSA-N	-1	0	284.315	2.717	20	30		CFEDRM
N#Cc1ccc(COC(=O)c2cc(F)c([O-])c(F)c2)cc1	ZINC000748477076	574254415	/nfs/dbraw/zinc/25/44/15/574254415.db2.gz	OQJWDODEPFQCML-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1=NNCCCc1ccccc1	ZINC000740620415	574258669	/nfs/dbraw/zinc/25/86/69/574258669.db2.gz	OWBOTMZEBJSKJQ-CQSZACIVSA-N	-1	0	289.379	2.633	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1c(F)cccc1F	ZINC000740620207	574258693	/nfs/dbraw/zinc/25/86/93/574258693.db2.gz	MYSIXWSLVCSUIC-QMMMGPOBSA-N	-1	0	283.278	2.800	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cncs1	ZINC000734742954	574300583	/nfs/dbraw/zinc/30/05/83/574300583.db2.gz	NXGRIRHCDDXTSZ-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749609655	574302450	/nfs/dbraw/zinc/30/24/50/574302450.db2.gz	ZMEHUCUHZCYTLD-UHFFFAOYSA-N	-1	0	286.291	2.840	20	30		CFEDRM
CCn1nc(C)c(C=NNc2ccccc2C(=O)[O-])c1C	ZINC000755599435	574302980	/nfs/dbraw/zinc/30/29/80/574302980.db2.gz	BEXHZCJBWJDAQZ-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
CC(=NOCc1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749626347	574303255	/nfs/dbraw/zinc/30/32/55/574303255.db2.gz	QDPWWWYITFOLDA-UHFFFAOYSA-N	-1	0	287.275	2.636	20	30		CFEDRM
CC(C)CON=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000749626713	574303272	/nfs/dbraw/zinc/30/32/72/574303272.db2.gz	UGZOBHXRUFUXAM-NSHDSACASA-N	-1	0	265.309	2.545	20	30		CFEDRM
CCC(CC)NN=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749622519	574303309	/nfs/dbraw/zinc/30/33/09/574303309.db2.gz	ZFYMMRYIPCYZME-UHFFFAOYSA-N	-1	0	265.313	2.803	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1)[C@@H]1CCOC1	ZINC000741838429	574306143	/nfs/dbraw/zinc/30/61/43/574306143.db2.gz	VSRNWZPHEKOODV-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc3ccccc3n2)[nH]1	ZINC000749807065	574310131	/nfs/dbraw/zinc/31/01/31/574310131.db2.gz	JMDDUEDBQDQXKI-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
COc1cccc(O)c1/C=N\C[C@@H](O)CC(C)(C)C	ZINC000735228785	574316009	/nfs/dbraw/zinc/31/60/09/574316009.db2.gz	HUWYKSFCPRXETK-OKHBPPCESA-N	-1	0	265.353	2.617	20	30		CFEDRM
C=C(Br)CSc1ccccc1-c1nn[nH]n1	ZINC000735397667	574323354	/nfs/dbraw/zinc/32/33/54/574323354.db2.gz	BRIDWZWDGNHXAY-UHFFFAOYSA-N	-1	0	297.181	2.867	20	30		CFEDRM
CC[C@@](C)([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000750198342	574330519	/nfs/dbraw/zinc/33/05/19/574330519.db2.gz	OMMWGAOOEPMKMP-ZCFIWIBFSA-N	-1	0	269.160	2.734	20	30		CFEDRM
O=C([O-])c1ccccc1C=Nn1cnc2ccccc21	ZINC000725849863	574330945	/nfs/dbraw/zinc/33/09/45/574330945.db2.gz	WHMKWMRWHUTYGB-UHFFFAOYSA-N	-1	0	265.272	2.617	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(F)cc1	ZINC000725858034	574333681	/nfs/dbraw/zinc/33/36/81/574333681.db2.gz	FDGVKGVPFVZNEL-UHFFFAOYSA-N	-1	0	299.330	2.707	20	30		CFEDRM
C#CCN(Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1	ZINC000736079400	574349224	/nfs/dbraw/zinc/34/92/24/574349224.db2.gz	MCWYWUNRWWCUIB-UHFFFAOYSA-N	-1	0	287.290	2.752	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736102715	574350415	/nfs/dbraw/zinc/35/04/15/574350415.db2.gz	TYUGZMLITSZVAS-VIFPVBQESA-N	-1	0	296.298	2.835	20	30		CFEDRM
C=CCCCNc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000736102645	574350471	/nfs/dbraw/zinc/35/04/71/574350471.db2.gz	STEZWBWVKVZHMU-UHFFFAOYSA-N	-1	0	265.309	2.780	20	30		CFEDRM
C=C(Cl)COC(=O)c1ccccc1NC(=O)[O-]	ZINC000736094533	574350726	/nfs/dbraw/zinc/35/07/26/574350726.db2.gz	KAGNTJCJMVAJPW-UHFFFAOYSA-N	-1	0	255.657	2.686	20	30		CFEDRM
C=C(C)CNC(=S)Nc1cc(C)c(C(=O)[O-])s1	ZINC000736094701	574350756	/nfs/dbraw/zinc/35/07/56/574350756.db2.gz	SCKTWMYUNZJHBH-UHFFFAOYSA-N	-1	0	270.379	2.617	20	30		CFEDRM
C=CCCC(=O)Oc1c(CC=C)cc(C(=O)[O-])cc1OC	ZINC000736097348	574351251	/nfs/dbraw/zinc/35/12/51/574351251.db2.gz	IZBLULCXGJJYBO-UHFFFAOYSA-N	-1	0	290.315	2.994	20	30		CFEDRM
C=C1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1	ZINC000736097647	574351260	/nfs/dbraw/zinc/35/12/60/574351260.db2.gz	PZHZLCNJXLKXFC-GFCCVEGCSA-N	-1	0	290.363	2.553	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736096382	574351298	/nfs/dbraw/zinc/35/12/98/574351298.db2.gz	MNORIRMMXQKFAE-LLVKDONJSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F	ZINC000736097696	574351316	/nfs/dbraw/zinc/35/13/16/574351316.db2.gz	PKSGAIFMYDRXIC-UHFFFAOYSA-N	-1	0	285.246	2.891	20	30		CFEDRM
CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1ccccc1	ZINC000750895074	574360083	/nfs/dbraw/zinc/36/00/83/574360083.db2.gz	DNZLXYDSFMBATJ-GPYAOOHASA-N	-1	0	296.322	2.861	20	30		CFEDRM
CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1ccccc1	ZINC000750895076	574360248	/nfs/dbraw/zinc/36/02/48/574360248.db2.gz	DNZLXYDSFMBATJ-XXRGDTQASA-N	-1	0	296.322	2.861	20	30		CFEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]2CCCO[C@@H]21	ZINC000743418692	574363721	/nfs/dbraw/zinc/36/37/21/574363721.db2.gz	GXHVCEYKNYQOLK-JSGCOSHPSA-N	-1	0	288.347	2.988	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@H]2CCCO[C@@H]21	ZINC000743431400	574364098	/nfs/dbraw/zinc/36/40/98/574364098.db2.gz	YNWYTGYOSLZYNY-RISCZKNCSA-N	-1	0	288.347	2.988	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C(O)C1=COCC1	ZINC000744016086	574375839	/nfs/dbraw/zinc/37/58/39/574375839.db2.gz	IVBHNMMZIDSYIP-ZDUSSCGKSA-N	-1	0	294.310	2.672	20	30		CFEDRM
COC(=O)c1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c[nH]1	ZINC000753145111	574399399	/nfs/dbraw/zinc/39/93/99/574399399.db2.gz	VLZPPIFPQGGGQW-RQOWECAXSA-N	-1	0	289.262	2.542	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccccc2Cl)c[nH]1	ZINC000814690845	601794663	/nfs/dbraw/zinc/79/46/63/601794663.db2.gz	BCDWONYZNFUIRV-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CC(C)(C)CC(C)(C)C1	ZINC000820206119	597608951	/nfs/dbraw/zinc/60/89/51/597608951.db2.gz	NZIGBBHEVJQYCU-INIZCTEOSA-N	-1	0	294.395	2.712	20	30		CFEDRM
C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1cc(F)ccc1F	ZINC000820160908	597611778	/nfs/dbraw/zinc/61/17/78/597611778.db2.gz	KOXBDIMPSRKALJ-RTHLEPHNSA-N	-1	0	297.257	2.574	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2cc(F)ccc2F)CC1	ZINC000814872762	598097011	/nfs/dbraw/zinc/09/70/11/598097011.db2.gz	XRRJYIWTWFVSIQ-UHFFFAOYSA-N	-1	0	282.290	2.685	20	30		CFEDRM
COc1ccc(C#N)cc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000820814548	598142201	/nfs/dbraw/zinc/14/22/01/598142201.db2.gz	AYTZKWWXSADXRT-UHFFFAOYSA-N	-1	0	296.282	2.517	20	30		CFEDRM
N#Cc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1	ZINC000113539312	598183352	/nfs/dbraw/zinc/18/33/52/598183352.db2.gz	DNXGHJGVBQLMAG-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl	ZINC000821087868	598221602	/nfs/dbraw/zinc/22/16/02/598221602.db2.gz	HVODTBGWYKGGPQ-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
Cc1c(Cl)cccc1NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820944816	598221608	/nfs/dbraw/zinc/22/16/08/598221608.db2.gz	NMKIUMRDTJIHIO-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2c1CCCC2	ZINC000819857475	598221696	/nfs/dbraw/zinc/22/16/96/598221696.db2.gz	XPSSEPLGOAVFBF-INIZCTEOSA-N	-1	0	286.331	2.508	20	30		CFEDRM
Cc1ccccc1[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821120125	598230825	/nfs/dbraw/zinc/23/08/25/598230825.db2.gz	MYWSRSPOJIWFFC-XHDPSFHLSA-N	-1	0	275.304	2.604	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC(CC(=O)[O-])CC1	ZINC000093679816	600160944	/nfs/dbraw/zinc/16/09/44/600160944.db2.gz	IHEZDYUAPBFCFG-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000161192864	600274780	/nfs/dbraw/zinc/27/47/80/600274780.db2.gz	WUCVJNYBPPVSCD-UHFFFAOYSA-N	-1	0	290.653	2.537	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147444455	600288574	/nfs/dbraw/zinc/28/85/74/600288574.db2.gz	SHFAUOZWWCJMPC-QMMMGPOBSA-N	-1	0	295.726	2.662	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(C)C	ZINC000162364847	600385138	/nfs/dbraw/zinc/38/51/38/600385138.db2.gz	MTDSQKMCQYQMGO-UHFFFAOYSA-N	-1	0	280.299	2.952	20	30		CFEDRM
CCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829210098	601109212	/nfs/dbraw/zinc/10/92/12/601109212.db2.gz	ZKSIUIJZJXNAFK-MFKMUULPSA-N	-1	0	275.304	2.663	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000821320524	601139583	/nfs/dbraw/zinc/13/95/83/601139583.db2.gz	QWHDKHXCURJVBS-CQSZACIVSA-N	-1	0	286.331	2.587	20	30		CFEDRM
O=C([O-])Nc1ccc(NC(=O)C#Cc2ccccc2)cc1	ZINC000833286995	601197639	/nfs/dbraw/zinc/19/76/39/601197639.db2.gz	ZVDUEXAXEWBXMK-UHFFFAOYSA-N	-1	0	280.283	2.767	20	30		CFEDRM
N#CCN(CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1	ZINC000833066528	601226250	/nfs/dbraw/zinc/22/62/50/601226250.db2.gz	CEHCIIPTIDLUIE-UHFFFAOYSA-N	-1	0	280.327	2.764	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000126768416	601269515	/nfs/dbraw/zinc/26/95/15/601269515.db2.gz	OUNCMBGPRAPWLQ-ZJUUUORDSA-N	-1	0	290.294	2.527	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])s1	ZINC000833072604	601277403	/nfs/dbraw/zinc/27/74/03/601277403.db2.gz	VWATXSXNZCEGKX-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
Cc1ccsc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832984548	601303115	/nfs/dbraw/zinc/30/31/15/601303115.db2.gz	VSZLATHHYABRBZ-AWEZNQCLSA-N	-1	0	286.356	2.844	20	30		CFEDRM
Cc1noc(C)c1[C@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833020007	601305249	/nfs/dbraw/zinc/30/52/49/601305249.db2.gz	KAOJEMWVZIACNG-VFZGTOFNSA-N	-1	0	299.330	2.640	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/COc3c(F)cccc3C2=O)[nH]1	ZINC000833312117	601331802	/nfs/dbraw/zinc/33/18/02/601331802.db2.gz	JQIZXCYZOXWVPN-VURMDHGXSA-N	-1	0	287.246	2.511	20	30		CFEDRM
N#Cc1ccc2c(c1)CC/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000833073879	601332868	/nfs/dbraw/zinc/33/28/68/601332868.db2.gz	JIZQGZLQUDSECN-XYOKQWHBSA-N	-1	0	292.294	2.797	20	30		CFEDRM
CCCCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829305492	601344059	/nfs/dbraw/zinc/34/40/59/601344059.db2.gz	ZLOWSDNZQNFDEM-AWEZNQCLSA-N	-1	0	275.304	2.807	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)[C@@H]2CC=CCC2)C(=O)[O-])c1	ZINC000833075103	601346193	/nfs/dbraw/zinc/34/61/93/601346193.db2.gz	HOFJTONJVNHIDI-TZMCWYRMSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000827392120	601350782	/nfs/dbraw/zinc/35/07/82/601350782.db2.gz	SOWHFYKUXWHBEU-MEBBXXQBSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccco1	ZINC000826061180	601354415	/nfs/dbraw/zinc/35/44/15/601354415.db2.gz	CRUJPTHEYDSONP-HZMBPMFUSA-N	-1	0	299.282	2.624	20	30		CFEDRM
C#Cc1cccc(NCc2cc(C(=O)[O-])oc2C)c1	ZINC000232423918	601389607	/nfs/dbraw/zinc/38/96/07/601389607.db2.gz	YXIYMOBLZZVGKK-UHFFFAOYSA-N	-1	0	255.273	2.880	20	30		CFEDRM
C/C(=C\CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-]	ZINC000825741368	601429399	/nfs/dbraw/zinc/42/93/99/601429399.db2.gz	MHCVLNLOXQHWPX-LXUUZPSESA-N	-1	0	284.359	2.789	20	30		CFEDRM
C=CCCCC(=O)OCc1cc(C)c(C(=O)[O-])o1	ZINC000825671667	601430650	/nfs/dbraw/zinc/43/06/50/601430650.db2.gz	ZOAOWLHESGKLPS-UHFFFAOYSA-N	-1	0	252.266	2.686	20	30		CFEDRM
C=CCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000825665262	601437891	/nfs/dbraw/zinc/43/78/91/601437891.db2.gz	XOBHTGQCBKAFJA-LBPRGKRZSA-N	-1	0	273.332	2.948	20	30		CFEDRM
N#Cc1csc(C(=O)Oc2cccc(C(=O)[O-])c2)c1	ZINC000833078360	601499418	/nfs/dbraw/zinc/49/94/18/601499418.db2.gz	HTZARKNGIAMYOW-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
C[C@@H]1CC/C(=C/C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000828206576	601568783	/nfs/dbraw/zinc/56/87/83/601568783.db2.gz	AXPDNFFFMJYDIW-FPODFMBDSA-N	-1	0	299.326	2.974	20	30		CFEDRM
CCN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](C)C#N	ZINC000233467004	601620612	/nfs/dbraw/zinc/62/06/12/601620612.db2.gz	NWTWTUJRDKALFE-JTQLQIEISA-N	-1	0	264.300	2.505	20	30		CFEDRM
CCCCC[C@H](NC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000776664586	601639049	/nfs/dbraw/zinc/63/90/49/601639049.db2.gz	ODSNCJXDLYHPTJ-AWEZNQCLSA-N	-1	0	288.347	2.516	20	30		CFEDRM
Cc1cccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832963751	601791302	/nfs/dbraw/zinc/79/13/02/601791302.db2.gz	LVKOSEPLEUQYGL-WAYWQWQTSA-N	-1	0	255.273	2.917	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\CCc3ccccc3C2=O)c[nH]1	ZINC000833297668	601791626	/nfs/dbraw/zinc/79/16/26/601791626.db2.gz	IIVBRGFWFHIKGB-KPKJPENVSA-N	-1	0	267.284	2.925	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\CCc3c(O)cccc3C2=O)c[nH]1	ZINC000833298434	601794480	/nfs/dbraw/zinc/79/44/80/601794480.db2.gz	UZYKPVZUQUSNDO-UXBLZVDNSA-N	-1	0	283.283	2.631	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1	ZINC000757467254	601825720	/nfs/dbraw/zinc/82/57/20/601825720.db2.gz	CAPPQXHJQFIYCZ-XVNBXDOJSA-N	-1	0	284.267	2.692	20	30		CFEDRM
N#Cc1cccnc1NCCCCCCCC(=O)[O-]	ZINC000403227606	601862953	/nfs/dbraw/zinc/86/29/53/601862953.db2.gz	WBPTYAYYKVXJBM-UHFFFAOYSA-N	-1	0	261.325	2.790	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(C(=O)[O-])s1	ZINC000103918688	601956234	/nfs/dbraw/zinc/95/62/34/601956234.db2.gz	QOQSSHPUTZZKHI-UHFFFAOYSA-N	-1	0	266.366	2.818	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCCCOc1cccc(C#N)c1	ZINC000827385137	601974355	/nfs/dbraw/zinc/97/43/55/601974355.db2.gz	GUSYLGWJQPDVDU-LLVKDONJSA-N	-1	0	279.361	2.924	20	30		CFEDRM
N#Cc1cccc(C(=O)OCc2ccc(C(=O)[O-])s2)c1	ZINC000833074514	601997267	/nfs/dbraw/zinc/99/72/67/601997267.db2.gz	ZLRIWQRKTAPFOH-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000229757010	602207511	/nfs/dbraw/zinc/20/75/11/602207511.db2.gz	ZKQWAFFXRHWWFR-UHFFFAOYSA-N	-1	0	294.738	2.963	20	30		CFEDRM
Cc1cc(NCCCCC#N)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832897601	602317904	/nfs/dbraw/zinc/31/79/04/602317904.db2.gz	VSJRTVVBBBBXMD-UHFFFAOYSA-N	-1	0	277.280	2.707	20	30		CFEDRM
C#CCCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000825605713	602323546	/nfs/dbraw/zinc/32/35/46/602323546.db2.gz	OMJKWRLJNAKUGR-UHFFFAOYSA-N	-1	0	276.292	2.817	20	30		CFEDRM
C=CCCCCCN(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000825671124	602362494	/nfs/dbraw/zinc/36/24/94/602362494.db2.gz	DFDRBGBUOQQDJN-UHFFFAOYSA-N	-1	0	293.367	2.933	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000826707335	602786847	/nfs/dbraw/zinc/78/68/47/602786847.db2.gz	XWOMDDGEXREOIY-LLVKDONJSA-N	-1	0	275.308	2.507	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@H]1CN(C)C(=O)[O-]	ZINC000826819892	603163876	/nfs/dbraw/zinc/16/38/76/603163876.db2.gz	HLULBRDXIGGSGB-ZDUSSCGKSA-N	-1	0	284.400	2.948	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2ccc(F)cc2F)cn1	ZINC000832840916	603486022	/nfs/dbraw/zinc/48/60/22/603486022.db2.gz	NGXWEGVCDOGGEW-UHFFFAOYSA-N	-1	0	292.245	2.896	20	30		CFEDRM
C=C(C)CN(CC)C(=O)COc1cccc(NC(=O)[O-])c1	ZINC000823480842	603509588	/nfs/dbraw/zinc/50/95/88/603509588.db2.gz	PSPIANVEIQFMCQ-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1	ZINC000826819846	603515833	/nfs/dbraw/zinc/51/58/33/603515833.db2.gz	HEVDKNZDHZGELA-LBPRGKRZSA-N	-1	0	270.373	2.558	20	30		CFEDRM
N#Cc1cc2ccccc2nc1N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831118057	603955990	/nfs/dbraw/zinc/95/59/90/603955990.db2.gz	KZBKDCBBNZVXEX-CYBMUJFWSA-N	-1	0	296.330	2.661	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-]	ZINC000823496288	603990939	/nfs/dbraw/zinc/99/09/39/603990939.db2.gz	HHIKWAVWIILZFD-KGLIPLIRSA-N	-1	0	294.395	2.866	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000825274923	604052493	/nfs/dbraw/zinc/05/24/93/604052493.db2.gz	VZCRVURNZWPDIV-PWSUYJOCSA-N	-1	0	291.326	2.570	20	30		CFEDRM
C#CCCCCNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823440935	604097271	/nfs/dbraw/zinc/09/72/71/604097271.db2.gz	NIXVBDDIASWZSM-KBPBESRZSA-N	-1	0	294.395	2.513	20	30		CFEDRM
C#CCCCCNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823440936	604097422	/nfs/dbraw/zinc/09/74/22/604097422.db2.gz	NIXVBDDIASWZSM-KGLIPLIRSA-N	-1	0	294.395	2.513	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000824542433	604136750	/nfs/dbraw/zinc/13/67/50/604136750.db2.gz	BPGPMVGBQLCHSI-VIFPVBQESA-N	-1	0	276.296	2.542	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000824543917	604136986	/nfs/dbraw/zinc/13/69/86/604136986.db2.gz	MSOUGKGFNVAETR-MRVPVSSYSA-N	-1	0	294.286	2.681	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900400781	620670296	/nfs/dbraw/zinc/67/02/96/620670296.db2.gz	PKELZHPSXVGTDA-QWHCGFSZSA-N	-1	0	290.750	2.759	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)s1	ZINC000831122409	604190749	/nfs/dbraw/zinc/19/07/49/604190749.db2.gz	GSKHEMGPVRAGEW-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1	ZINC000823440981	604212230	/nfs/dbraw/zinc/21/22/30/604212230.db2.gz	OMSOIDUONVXRQD-CYBMUJFWSA-N	-1	0	291.278	2.874	20	30		CFEDRM
C#CC[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000823440993	604212234	/nfs/dbraw/zinc/21/22/34/604212234.db2.gz	OZEKJIQGECJEOW-CQSZACIVSA-N	-1	0	287.315	2.664	20	30		CFEDRM
C=CCc1ccccc1OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823521792	604215870	/nfs/dbraw/zinc/21/58/70/604215870.db2.gz	JDHDZVGQSDUQFN-STQMWFEESA-N	-1	0	289.331	2.757	20	30		CFEDRM
N#Cc1cccc(SC[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831153142	604288577	/nfs/dbraw/zinc/28/85/77/604288577.db2.gz	YXIDCEZOUORIGJ-NSHDSACASA-N	-1	0	262.334	2.650	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000825681941	604487674	/nfs/dbraw/zinc/48/76/74/604487674.db2.gz	NGESZXSMCIAISE-UHFFFAOYSA-N	-1	0	266.322	2.652	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833373906	604497319	/nfs/dbraw/zinc/49/73/19/604497319.db2.gz	INFATXDAFBEFRE-PNESKVBLSA-N	-1	0	284.352	2.544	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)OCC	ZINC000833367983	604542090	/nfs/dbraw/zinc/54/20/90/604542090.db2.gz	YXGRAQSUONNAPK-CQSZACIVSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCNC(=O)[O-])c1ccccc1	ZINC000825664742	604559785	/nfs/dbraw/zinc/55/97/85/604559785.db2.gz	KATPNXIZPGXXSX-CQSZACIVSA-N	-1	0	290.363	2.858	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)OCC	ZINC000833368603	604596776	/nfs/dbraw/zinc/59/67/76/604596776.db2.gz	MULSOJSUYINDPE-AWEZNQCLSA-N	-1	0	292.331	2.799	20	30		CFEDRM
O=C([O-])COc1ccc(C(=O)/C=C\c2cncs2)cc1	ZINC000833252882	604628156	/nfs/dbraw/zinc/62/81/56/604628156.db2.gz	OYWPCQVKGQUVKV-WAYWQWQTSA-N	-1	0	289.312	2.503	20	30		CFEDRM
CC(N=Nc1cccnn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814854348	604641069	/nfs/dbraw/zinc/64/10/69/604641069.db2.gz	WCMQGGSDFNKDNM-JTQLQIEISA-N	-1	0	264.329	2.546	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1	ZINC000763367908	604670110	/nfs/dbraw/zinc/67/01/10/604670110.db2.gz	HNCXYAPIYZXNNX-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
C[C@H](c1ccncc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833549187	604719638	/nfs/dbraw/zinc/71/96/38/604719638.db2.gz	BRHINVDXUSITLQ-GFCCVEGCSA-N	-1	0	295.342	2.844	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000833747558	604725844	/nfs/dbraw/zinc/72/58/44/604725844.db2.gz	VSKCKRFKROKGMA-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000825664562	604726902	/nfs/dbraw/zinc/72/69/02/604726902.db2.gz	FEBDRVVZVNYPFN-UHFFFAOYSA-N	-1	0	294.376	2.867	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000111026245	604801818	/nfs/dbraw/zinc/80/18/18/604801818.db2.gz	MDOYMXNAWQCQAA-CQSZACIVSA-N	-1	0	284.290	2.978	20	30		CFEDRM
CC(C)(C#N)CCCON=C(N)c1cccc(C(=O)[O-])c1	ZINC000826072032	604810138	/nfs/dbraw/zinc/81/01/38/604810138.db2.gz	RKWYOVZKYKYCIK-UHFFFAOYSA-N	-1	0	289.335	2.561	20	30		CFEDRM
C=C1CCN(C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)CC1	ZINC000823485496	604838522	/nfs/dbraw/zinc/83/85/22/604838522.db2.gz	GGOORSGCFGHTGF-ZDUSSCGKSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C#C[C@H](Cc1ccccc1)OC(=O)c1cccc(C(=O)[O-])c1	ZINC000833360560	604883725	/nfs/dbraw/zinc/88/37/25/604883725.db2.gz	LUQJFTATQYXBFZ-MRXNPFEDSA-N	-1	0	294.306	2.786	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CC1	ZINC000162392405	604912004	/nfs/dbraw/zinc/91/20/04/604912004.db2.gz	CGRNFUWCUJTDFV-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
C=CCCC(=O)COc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000833373495	605001865	/nfs/dbraw/zinc/00/18/65/605001865.db2.gz	QTFSUYUDJVOBQF-VQHVLOKHSA-N	-1	0	290.315	2.707	20	30		CFEDRM
C#CCCCCC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000235761870	605005580	/nfs/dbraw/zinc/00/55/80/605005580.db2.gz	FQKNUUYPVQGLJM-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000833362862	605007378	/nfs/dbraw/zinc/00/73/78/605007378.db2.gz	NMWXSPMWFKNPLP-UHFFFAOYSA-N	-1	0	289.331	2.591	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000236420448	605010819	/nfs/dbraw/zinc/01/08/19/605010819.db2.gz	PDCVZPXYMWDIRT-OAHLLOKOSA-N	-1	0	287.359	2.902	20	30		CFEDRM
COc1ccc(C#N)cc1CS[C@@H](C)CC(=O)[O-]	ZINC000130194894	605010936	/nfs/dbraw/zinc/01/09/36/605010936.db2.gz	UGIHTTZHUNVEQQ-VIFPVBQESA-N	-1	0	265.334	2.663	20	30		CFEDRM
C#CCCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1	ZINC000833363055	605018783	/nfs/dbraw/zinc/01/87/83/605018783.db2.gz	YMKJBFXPVHEEFO-AWEZNQCLSA-N	-1	0	260.289	2.549	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833362806	605018824	/nfs/dbraw/zinc/01/88/24/605018824.db2.gz	LVVGLPSRKFLKSV-UHFFFAOYSA-N	-1	0	278.279	2.761	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000833362792	605019832	/nfs/dbraw/zinc/01/98/32/605019832.db2.gz	LJBGOVSGIRHDSR-UHFFFAOYSA-N	-1	0	278.279	2.761	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccccc1F	ZINC000833406995	605039009	/nfs/dbraw/zinc/03/90/09/605039009.db2.gz	PYWUCCMBINEHRR-JTQLQIEISA-N	-1	0	275.283	2.719	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1CN=Nc1c(F)cccc1F	ZINC000833404984	605039794	/nfs/dbraw/zinc/03/97/94/605039794.db2.gz	ALGPGAOXBDFWKT-SECBINFHSA-N	-1	0	293.273	2.858	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNCCCc1ccccc1	ZINC000833405001	605039894	/nfs/dbraw/zinc/03/98/94/605039894.db2.gz	ARYMRCQNIVTCIR-CQSZACIVSA-N	-1	0	299.374	2.690	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833374045	605076593	/nfs/dbraw/zinc/07/65/93/605076593.db2.gz	OTQKHVYQFNQNBF-JTQLQIEISA-N	-1	0	279.340	2.590	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000398195233	605078537	/nfs/dbraw/zinc/07/85/37/605078537.db2.gz	CHFFVKVKXOYEFX-VIFPVBQESA-N	-1	0	278.352	2.804	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000398238145	605086139	/nfs/dbraw/zinc/08/61/39/605086139.db2.gz	XLSDWZAIHMKHFP-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CC(C)(C)n1cc(C=NNc2ccccc2C(=O)[O-])cn1	ZINC000833453001	605100660	/nfs/dbraw/zinc/10/06/60/605100660.db2.gz	OFMMZWMVBDSVAS-UHFFFAOYSA-N	-1	0	286.335	2.782	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccccc1[N+](=O)[O-]	ZINC000793000702	605101044	/nfs/dbraw/zinc/10/10/44/605101044.db2.gz	CWMBTQGMZRHWBG-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000148712416	605135592	/nfs/dbraw/zinc/13/55/92/605135592.db2.gz	YMMNAXUNZPMWLU-UHFFFAOYSA-N	-1	0	292.335	2.823	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000148700695	605137849	/nfs/dbraw/zinc/13/78/49/605137849.db2.gz	ZXFPLAUKMCBTGC-UHFFFAOYSA-N	-1	0	290.319	2.599	20	30		CFEDRM
Cc1c(C(=O)[O-])csc1NC(=O)c1sccc1C#N	ZINC000833741180	605160348	/nfs/dbraw/zinc/16/03/48/605160348.db2.gz	AUOAUVCJQUCLLH-UHFFFAOYSA-N	-1	0	292.341	2.940	20	30		CFEDRM
CC#CCN(C)[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833380989	605209112	/nfs/dbraw/zinc/20/91/12/605209112.db2.gz	WSKYZPSCWGOKFA-LBPRGKRZSA-N	-1	0	296.164	2.530	20	30		CFEDRM
CC#CCN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000833380988	605209338	/nfs/dbraw/zinc/20/93/38/605209338.db2.gz	WSKYZPSCWGOKFA-GFCCVEGCSA-N	-1	0	296.164	2.530	20	30		CFEDRM
C#CCOc1cccc(OCc2cc(C(=O)[O-])c(C)o2)c1	ZINC000833367539	605239574	/nfs/dbraw/zinc/23/95/74/605239574.db2.gz	ZCGFTKWKGFUZSQ-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000833368022	605260051	/nfs/dbraw/zinc/26/00/51/605260051.db2.gz	DDGJWVPGQPXJNB-UHFFFAOYSA-N	-1	0	273.332	2.522	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000833484221	605260488	/nfs/dbraw/zinc/26/04/88/605260488.db2.gz	VDNBIVICACIDDN-UHFFFAOYSA-N	-1	0	282.384	2.666	20	30		CFEDRM
C=CCC(CC=C)c1nc(C[C@H](C)N(C)C(=O)[O-])no1	ZINC000823490542	605318656	/nfs/dbraw/zinc/31/86/56/605318656.db2.gz	FTEVCYSZRPTJGA-JTQLQIEISA-N	-1	0	279.340	2.846	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1	ZINC000833590384	605318914	/nfs/dbraw/zinc/31/89/14/605318914.db2.gz	ASHWWRSFIFVAEL-UHFFFAOYSA-N	-1	0	291.282	2.794	20	30		CFEDRM
Cc1ccc(C#N)c(NCC2(NC(=O)[O-])CCCCC2)n1	ZINC000833901194	605341533	/nfs/dbraw/zinc/34/15/33/605341533.db2.gz	FOISHDKXPDGVED-UHFFFAOYSA-N	-1	0	288.351	2.644	20	30		CFEDRM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C)(C#N)C1	ZINC000833547464	605419522	/nfs/dbraw/zinc/41/95/22/605419522.db2.gz	STDBMNYALXAOCK-IINYFYTJSA-N	-1	0	262.309	2.664	20	30		CFEDRM
C[C@@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccc(F)cc2)C1	ZINC000833551118	605419582	/nfs/dbraw/zinc/41/95/82/605419582.db2.gz	GURLRNFKXMQGMX-HIFRSBDPSA-N	-1	0	276.311	2.577	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C)CC#N)ccc1NC(=O)[O-]	ZINC000829971383	605421129	/nfs/dbraw/zinc/42/11/29/605421129.db2.gz	LFYNCRXMBVBBJR-SECBINFHSA-N	-1	0	262.265	2.544	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(c2c(Cl)cccc2C#N)C1	ZINC000833817276	605500600	/nfs/dbraw/zinc/50/06/00/605500600.db2.gz	LDPMPWCIGNFBNS-ONGXEEELSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C#CCC(C)(C)COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000833360991	605521294	/nfs/dbraw/zinc/52/12/94/605521294.db2.gz	UWQRWDOZOOXBTH-UHFFFAOYSA-N	-1	0	260.289	2.591	20	30		CFEDRM
N#Cc1cc(CNc2cccc3c2CCN3C(=O)[O-])ccn1	ZINC000833970799	605642312	/nfs/dbraw/zinc/64/23/12/605642312.db2.gz	SQIICBVGDWGFGN-UHFFFAOYSA-N	-1	0	294.314	2.606	20	30		CFEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NOCc1cccnc1	ZINC000833803068	605642499	/nfs/dbraw/zinc/64/24/99/605642499.db2.gz	GPSQWQUISFBVMB-ZDUSSCGKSA-N	-1	0	277.324	2.507	20	30		CFEDRM
CC[C@H](C)[C@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833639340	605672603	/nfs/dbraw/zinc/67/26/03/605672603.db2.gz	SUCDAUZBANSWOK-QWRGUYRKSA-N	-1	0	289.331	2.982	20	30		CFEDRM
N#Cc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1	ZINC000833975432	605708710	/nfs/dbraw/zinc/70/87/10/605708710.db2.gz	BHUOEVULIRSGMF-UHFFFAOYSA-N	-1	0	268.276	2.655	20	30		CFEDRM
O=C([O-])N[C@H]1CC(N=Nc2ccccn2)c2ccccc21	ZINC000834158749	605741955	/nfs/dbraw/zinc/74/19/55/605741955.db2.gz	URVFTRABBUTQEE-LBPRGKRZSA-N	-1	0	282.303	2.610	20	30		CFEDRM
C=CCCOCCCCC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000833374970	605794010	/nfs/dbraw/zinc/79/40/10/605794010.db2.gz	PMHGCUMUDBLWBN-AWEZNQCLSA-N	-1	0	297.395	2.605	20	30		CFEDRM
N#Cc1ccc(NC[C@H](NC(=O)[O-])C2CC2)cc1Cl	ZINC000833973947	605922586	/nfs/dbraw/zinc/92/25/86/605922586.db2.gz	DCHISQCFLFJBRO-LBPRGKRZSA-N	-1	0	279.727	2.670	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@@H](CNC(=O)[O-])C1	ZINC000833976146	605947980	/nfs/dbraw/zinc/94/79/80/605947980.db2.gz	IVCQVDGEIVRBNW-JTQLQIEISA-N	-1	0	293.754	2.696	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cnnc3ccccc23)CC1	ZINC000834096849	605992241	/nfs/dbraw/zinc/99/22/41/605992241.db2.gz	DUYLMXBNOMTNEY-UHFFFAOYSA-N	-1	0	299.334	2.562	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cccc(F)c2F)CC1	ZINC000834097240	605992384	/nfs/dbraw/zinc/99/23/84/605992384.db2.gz	VCDJCQHUGUJIJL-UHFFFAOYSA-N	-1	0	283.278	2.897	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(C#N)c[nH]1	ZINC000833905728	606005751	/nfs/dbraw/zinc/00/57/51/606005751.db2.gz	BHBCQMCJNJETRH-UHFFFAOYSA-N	-1	0	284.275	2.537	20	30		CFEDRM
N#Cc1cccc(N[C@@H]2CCCN(C(=O)[O-])CC2)c1	ZINC000833976536	606014240	/nfs/dbraw/zinc/01/42/40/606014240.db2.gz	OBWXHFKBQCZRAF-GFCCVEGCSA-N	-1	0	259.309	2.503	20	30		CFEDRM
N#CCOc1cccc(N[C@@H]2CCCN(C(=O)[O-])CC2)c1	ZINC000833967660	606060370	/nfs/dbraw/zinc/06/03/70/606060370.db2.gz	LSRQAJVYHXHZTQ-GFCCVEGCSA-N	-1	0	289.335	2.533	20	30		CFEDRM
N#Cc1cccc(Oc2ccc(NC(=O)[O-])cc2)n1	ZINC000833975869	606062128	/nfs/dbraw/zinc/06/21/28/606062128.db2.gz	HFYFUFNRMRTEJR-UHFFFAOYSA-N	-1	0	255.233	2.835	20	30		CFEDRM
N#Cc1cccc(N=NC2CCCCC[C@@H]2NC(=O)[O-])c1	ZINC000833975456	606077903	/nfs/dbraw/zinc/07/79/03/606077903.db2.gz	BRZAOKKXMGFOAD-ZDUSSCGKSA-N	-1	0	286.335	2.926	20	30		CFEDRM
O=C(C=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1[O-]	ZINC000822929354	606857396	/nfs/dbraw/zinc/85/73/96/606857396.db2.gz	SQXWDFHWXDTVIH-FNORWQNLSA-N	-1	0	298.327	2.530	20	30		CFEDRM
Cc1cccc(CCC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049417975	617604283	/nfs/dbraw/zinc/60/42/83/617604283.db2.gz	JGFGYANRLLBWGR-UHFFFAOYSA-N	-1	0	269.366	2.622	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000844780523	617989212	/nfs/dbraw/zinc/98/92/12/617989212.db2.gz	SSRVQLJRSNUCTF-QMMMGPOBSA-N	-1	0	259.227	2.540	20	30		CFEDRM
[O-]c1cc(Cl)c(C=NN[C@@H]2CCCOC2)cc1Cl	ZINC000780262585	618079429	/nfs/dbraw/zinc/07/94/29/618079429.db2.gz	PAVUOMSMYDGWIO-SECBINFHSA-N	-1	0	289.162	2.802	20	30		CFEDRM
CCn1cc(C(=O)[N-]S(=O)(=O)C(C)C)c2ccccc21	ZINC000049418041	617604199	/nfs/dbraw/zinc/60/41/99/617604199.db2.gz	PNZFQOFPPVEXML-UHFFFAOYSA-N	-1	0	294.376	2.704	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)C=C(C)C2CC2)c1	ZINC000049515778	617608145	/nfs/dbraw/zinc/60/81/45/617608145.db2.gz	QKDCNHLSRHEGKM-NTMALXAHSA-N	-1	0	295.360	2.697	20	30		CFEDRM
O=C1c2ccc(O)cc2O/C1=C/c1cc(F)c([O-])c(F)c1	ZINC000255368558	617675986	/nfs/dbraw/zinc/67/59/86/617675986.db2.gz	CKPLNESESFIIQX-WLRTZDKTSA-N	-1	0	290.221	2.992	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000890649225	617734874	/nfs/dbraw/zinc/73/48/74/617734874.db2.gz	ADILEOSBOUXHRY-SNVBAGLBSA-N	-1	0	281.714	2.813	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cccnc2)c1[O-]	ZINC000022726803	617797991	/nfs/dbraw/zinc/79/79/91/617797991.db2.gz	AOLCFKLUPVODPN-LZYBPNLTSA-N	-1	0	291.694	2.968	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccnn2C2CCC2)c1	ZINC000901123986	620753660	/nfs/dbraw/zinc/75/36/60/620753660.db2.gz	SVMQUYZMAGAWBA-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccnn1C1CCC1	ZINC000901205684	620764674	/nfs/dbraw/zinc/76/46/74/620764674.db2.gz	PGKGWWIMQMIOTK-UHFFFAOYSA-N	-1	0	299.334	2.537	20	30		CFEDRM
O=C([O-])c1cc(C=NN[C@@H]2CCSC2)sc1Cl	ZINC000901238553	620769881	/nfs/dbraw/zinc/76/98/81/620769881.db2.gz	DSINFOZIGUMEIU-ZCFIWIBFSA-N	-1	0	290.797	2.529	20	30		CFEDRM
C/C(=C(\F)C(=O)Nc1cc(C#N)ccc1[O-])C1CC1	ZINC000901224241	620773802	/nfs/dbraw/zinc/77/38/02/620773802.db2.gz	AYQZZBDPNUVCMB-MDWZMJQESA-N	-1	0	260.268	2.856	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC1C[C@H](C)O[C@@H](C)C1	ZINC000901302722	620780208	/nfs/dbraw/zinc/78/02/08/620780208.db2.gz	LBLGFEAEUBOWIV-RYUDHWBXSA-N	-1	0	282.384	2.553	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000049003919	618077948	/nfs/dbraw/zinc/07/79/48/618077948.db2.gz	GNFSFQFARDEODS-CYBMUJFWSA-N	-1	0	299.392	2.764	20	30		CFEDRM
CC(C)c1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417922	618080967	/nfs/dbraw/zinc/08/09/67/618080967.db2.gz	NKPRKMCLNKVNFW-UHFFFAOYSA-N	-1	0	269.366	2.853	20	30		CFEDRM
Cc1c(NN=Cc2nccn2C2CC2)cccc1C(=O)[O-]	ZINC000901261817	620777657	/nfs/dbraw/zinc/77/76/57/620777657.db2.gz	PQKGWWDALVYPNP-UHFFFAOYSA-N	-1	0	284.319	2.671	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1cccc(F)c1C#N)C(=O)[O-]	ZINC000262141928	618131800	/nfs/dbraw/zinc/13/18/00/618131800.db2.gz	PSLPCVSUNQWQPR-UFBFGSQYSA-N	-1	0	250.273	2.609	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccncc2)cc1	ZINC000217735488	618163543	/nfs/dbraw/zinc/16/35/43/618163543.db2.gz	YLJHKCZNKBPPIC-UTCJRWHESA-N	-1	0	253.257	2.676	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cc(-c2ccc(C)cc2)no1	ZINC000092465391	618180964	/nfs/dbraw/zinc/18/09/64/618180964.db2.gz	GYCMPPCTRXKJQO-UHFFFAOYSA-N	-1	0	286.331	2.723	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=Nn1nnc2c1CCCC2	ZINC000901331192	620786674	/nfs/dbraw/zinc/78/66/74/620786674.db2.gz	MIPGETZATBISLB-UHFFFAOYSA-N	-1	0	294.717	2.537	20	30		CFEDRM
C#C[C@H](C)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000775383820	618260106	/nfs/dbraw/zinc/26/01/06/618260106.db2.gz	KQCMNPMXWJZNMA-VIFPVBQESA-N	-1	0	273.719	2.950	20	30		CFEDRM
N#Cc1ccccc1/C=C\C(=O)c1cc(O)ccc1[O-]	ZINC000255739831	618275448	/nfs/dbraw/zinc/27/54/48/618275448.db2.gz	DJAZXIQNPSVVLW-ALCCZGGFSA-N	-1	0	265.268	2.866	20	30		CFEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)CCCC)c1ccccc1	ZINC000179583021	618327693	/nfs/dbraw/zinc/32/76/93/618327693.db2.gz	RLPNTBUFFABUIL-CYBMUJFWSA-N	-1	0	295.404	2.592	20	30		CFEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1C(C)(C)C	ZINC000179728351	618342983	/nfs/dbraw/zinc/34/29/83/618342983.db2.gz	OCAXRQAUECDOBU-UHFFFAOYSA-N	-1	0	298.346	2.776	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1ccc(C(C)C)cc1	ZINC000092468001	618348876	/nfs/dbraw/zinc/34/88/76/618348876.db2.gz	BATCRZQSVCUABG-UHFFFAOYSA-N	-1	0	290.363	2.592	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1F	ZINC000086056020	618397668	/nfs/dbraw/zinc/39/76/68/618397668.db2.gz	NEMDRFLGTSWRKV-UHFFFAOYSA-N	-1	0	285.340	2.711	20	30		CFEDRM
C=CCCONC(=O)Cc1ccc(F)cc1Cl	ZINC000856032954	618423834	/nfs/dbraw/zinc/42/38/34/618423834.db2.gz	UGWLXRLQKQXSHU-UHFFFAOYSA-N	-1	0	257.692	2.646	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(C(C)C)c(C)s1	ZINC000856034913	618425158	/nfs/dbraw/zinc/42/51/58/618425158.db2.gz	OIRHGTAYLYRMLS-UHFFFAOYSA-N	-1	0	268.382	2.741	20	30		CFEDRM
[O-]c1c(F)cc(C=NNCc2cccc(F)c2)cc1F	ZINC000749859832	618445142	/nfs/dbraw/zinc/44/51/42/618445142.db2.gz	ZRBIKCWCBJEAKO-UHFFFAOYSA-N	-1	0	280.249	2.933	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000909504417	618457021	/nfs/dbraw/zinc/45/70/21/618457021.db2.gz	FOLXPNBALJRRNM-HNNXBMFYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909508298	618490944	/nfs/dbraw/zinc/49/09/44/618490944.db2.gz	SHOZTKQLTRAITI-XPTSAGLGSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C)c(C)c1Cl	ZINC000909515556	618534918	/nfs/dbraw/zinc/53/49/18/618534918.db2.gz	YBXCCKAEFHJAAH-UHFFFAOYSA-N	-1	0	281.739	2.670	20	30		CFEDRM
C=CCCC[C@H](C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000901428194	620815571	/nfs/dbraw/zinc/81/55/71/620815571.db2.gz	FGMKIIUGBCJNQP-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
N#CC1(C(=O)NCCCCCCC(=O)[O-])CCCCC1	ZINC000901436112	620820283	/nfs/dbraw/zinc/82/02/83/620820283.db2.gz	MSOQHHDXHCHIJE-UHFFFAOYSA-N	-1	0	280.368	2.612	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CC(CC)CC)CC1	ZINC000892684764	618708278	/nfs/dbraw/zinc/70/82/78/618708278.db2.gz	KTOPMTWUVKQHJR-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893244342	618902546	/nfs/dbraw/zinc/90/25/46/618902546.db2.gz	XBMJBVJTGHNEPL-UHFFFAOYSA-N	-1	0	295.832	2.912	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000314436076	619078285	/nfs/dbraw/zinc/07/82/85/619078285.db2.gz	JXPHEKUXKGQMJM-UONOGXRCSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1nccnc1Cl	ZINC000814850288	619264046	/nfs/dbraw/zinc/26/40/46/619264046.db2.gz	HNKDFDFKVDMIDB-UHFFFAOYSA-N	-1	0	282.731	2.563	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048496124	619344655	/nfs/dbraw/zinc/34/46/55/619344655.db2.gz	SKYBNYXKNRSOCR-ZETCQYMHSA-N	-1	0	293.797	2.737	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(C)c1C	ZINC000048518507	619348540	/nfs/dbraw/zinc/34/85/40/619348540.db2.gz	MTZAQXFMLLQBIA-UHFFFAOYSA-N	-1	0	269.366	2.738	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1	ZINC000048518782	619348894	/nfs/dbraw/zinc/34/88/94/619348894.db2.gz	AASFGWPIOGGZDP-GXFFZTMASA-N	-1	0	281.377	2.940	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cc1	ZINC000048519010	619349474	/nfs/dbraw/zinc/34/94/74/619349474.db2.gz	VZHZFUMYPRSMSN-NSHDSACASA-N	-1	0	295.360	2.697	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000048518999	619349514	/nfs/dbraw/zinc/34/95/14/619349514.db2.gz	QGSMORHJXABMRJ-UHFFFAOYSA-N	-1	0	283.349	2.531	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519695	619349879	/nfs/dbraw/zinc/34/98/79/619349879.db2.gz	ZFWGIDDOKZFSSI-UHFFFAOYSA-N	-1	0	281.377	2.867	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Cl)n1	ZINC000048520410	619350682	/nfs/dbraw/zinc/35/06/82/619350682.db2.gz	QITWEIIHXZLHRR-MRVPVSSYSA-N	-1	0	294.767	2.637	20	30		CFEDRM
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCC1	ZINC000048520072	619350827	/nfs/dbraw/zinc/35/08/27/619350827.db2.gz	XHVHOUHHGPSCKA-UHFFFAOYSA-N	-1	0	296.392	2.510	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc2ccccc2n1C	ZINC000048761844	619426021	/nfs/dbraw/zinc/42/60/21/619426021.db2.gz	HRQSSEOTOOGURZ-UHFFFAOYSA-N	-1	0	294.376	2.613	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000909407023	619454293	/nfs/dbraw/zinc/45/42/93/619454293.db2.gz	LAWPRGRMVSKWEK-CVEARBPZSA-N	-1	0	299.370	2.912	20	30		CFEDRM
O=C(CCC1CCCC1)[N-]S(=O)(=O)N1CCCCC1	ZINC000048869823	619479274	/nfs/dbraw/zinc/47/92/74/619479274.db2.gz	YKBROSPDNAFHRI-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
CC[C@H](NN=Cc1ccc2ccccc2c1)C(=O)[O-]	ZINC000793054257	619505453	/nfs/dbraw/zinc/50/54/53/619505453.db2.gz	DSHAOAPNVLLFFN-AWEZNQCLSA-N	-1	0	256.305	2.627	20	30		CFEDRM
CC[C@@H](NN=Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000793077956	619507821	/nfs/dbraw/zinc/50/78/21/619507821.db2.gz	KNIMMMVZIFVVCK-LLVKDONJSA-N	-1	0	279.727	2.608	20	30		CFEDRM
CC1(CNN=Cc2ccc(C(=O)[O-])cc2)CCCC1	ZINC000793083544	619507852	/nfs/dbraw/zinc/50/78/52/619507852.db2.gz	AMMPVPCLBVXHHV-UHFFFAOYSA-N	-1	0	260.337	2.889	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(C)n(CC(C)C)c1C)C(=O)[O-]	ZINC000793078433	619508054	/nfs/dbraw/zinc/50/80/54/619508054.db2.gz	LYFZYQOPFQQBEA-CQSZACIVSA-N	-1	0	279.384	2.548	20	30		CFEDRM
CC[C@H](C)CON=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000793163819	619534273	/nfs/dbraw/zinc/53/42/73/619534273.db2.gz	NFAFGTXWGQFRQN-VIFPVBQESA-N	-1	0	282.296	2.706	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000793163817	619534364	/nfs/dbraw/zinc/53/43/64/619534364.db2.gz	NFAFGTXWGQFRQN-SECBINFHSA-N	-1	0	282.296	2.706	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000909522867	619554948	/nfs/dbraw/zinc/55/49/48/619554948.db2.gz	BWUDUIBDOFYKMC-AWEZNQCLSA-N	-1	0	267.369	2.740	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1	ZINC000896507226	619753177	/nfs/dbraw/zinc/75/31/77/619753177.db2.gz	ZUNXQAVWQLSURK-SNVBAGLBSA-N	-1	0	250.729	2.781	20	30		CFEDRM
CC1(C)COC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708320	619876919	/nfs/dbraw/zinc/87/69/19/619876919.db2.gz	FQTVRGVOBYHGPR-MEVQPNOLSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C=C1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1	ZINC000909581870	619965805	/nfs/dbraw/zinc/96/58/05/619965805.db2.gz	QKZDDADFAJRBCW-UHFFFAOYSA-N	-1	0	298.342	2.587	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1	ZINC000909599811	619982369	/nfs/dbraw/zinc/98/23/69/619982369.db2.gz	LPSQXTCHLNHKRJ-QGZVFWFLSA-N	-1	0	287.359	2.501	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000929025829	620189131	/nfs/dbraw/zinc/18/91/31/620189131.db2.gz	JKHHOTZLQMNUMY-ZIAGYGMSSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034145	620192171	/nfs/dbraw/zinc/19/21/71/620192171.db2.gz	MMJHDHZAGRMDAA-CMPLNLGQSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000864186182	620205318	/nfs/dbraw/zinc/20/53/18/620205318.db2.gz	KGDWZSYOLNVOSY-MIMYLULJSA-N	-1	0	273.760	2.525	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNC2CCCCC2)cc1[O-]	ZINC000786042422	620240035	/nfs/dbraw/zinc/24/00/35/620240035.db2.gz	VXHMWMRGDMUVQQ-UHFFFAOYSA-N	-1	0	263.297	2.557	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1	ZINC000897922048	620304746	/nfs/dbraw/zinc/30/47/46/620304746.db2.gz	PTDCTMCVHJHWCC-CQSZACIVSA-N	-1	0	260.337	2.589	20	30		CFEDRM
C=CCC1(C(=O)NOCc2cccc(C)n2)CCC1	ZINC000898932849	620507575	/nfs/dbraw/zinc/50/75/75/620507575.db2.gz	TXQBDBZDVWGEJI-UHFFFAOYSA-N	-1	0	260.337	2.684	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1	ZINC000899298019	620542831	/nfs/dbraw/zinc/54/28/31/620542831.db2.gz	NNHBICHIYLBBSN-AAEUAGOBSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C\c2cncc(C(=O)[O-])c2)c1C	ZINC000899350698	620550156	/nfs/dbraw/zinc/55/01/56/620550156.db2.gz	MZPBYELGJXDAKU-WAYWQWQTSA-N	-1	0	299.330	2.509	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C\c2ccc(C(=O)[O-])nc2)c1C	ZINC000899350351	620550203	/nfs/dbraw/zinc/55/02/03/620550203.db2.gz	CRRNWQRRQKOPSP-VURMDHGXSA-N	-1	0	299.330	2.509	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(C#N)c1	ZINC000899759791	620597637	/nfs/dbraw/zinc/59/76/37/620597637.db2.gz	SBNKPUKDORBQBD-LBPRGKRZSA-N	-1	0	274.320	2.634	20	30		CFEDRM
C=CCCCNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899778495	620598503	/nfs/dbraw/zinc/59/85/03/620598503.db2.gz	IFZMSVJREWXSPX-AWEZNQCLSA-N	-1	0	275.348	2.636	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C	ZINC000899767432	620598524	/nfs/dbraw/zinc/59/85/24/620598524.db2.gz	RFWONFJRTAWGTR-BLLLJJGKSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C)c1ccccc1	ZINC000899775986	620599093	/nfs/dbraw/zinc/59/90/93/620599093.db2.gz	QQRWGEIODFZBOT-RVKKMQEKSA-N	-1	0	299.370	2.614	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899786790	620599366	/nfs/dbraw/zinc/59/93/66/620599366.db2.gz	YUWIXJOFBHOOBZ-GFCCVEGCSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(F)cc(C#N)c1	ZINC000899795544	620600881	/nfs/dbraw/zinc/60/08/81/620600881.db2.gz	XRCGICOUSGJOQZ-NSHDSACASA-N	-1	0	292.310	2.773	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)CCSc1ccc(Cl)cc1	ZINC000042280538	620603385	/nfs/dbraw/zinc/60/33/85/620603385.db2.gz	IXSZWNJWZSVQMW-UHFFFAOYSA-N	-1	0	293.797	2.738	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899820365	620604409	/nfs/dbraw/zinc/60/44/09/620604409.db2.gz	ULPVVRDHYFYNLC-WLZFUECHSA-N	-1	0	291.391	2.760	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cnc(C(C)(C)C)s1	ZINC000901586576	620862428	/nfs/dbraw/zinc/86/24/28/620862428.db2.gz	OCBHQLGRKZMEDP-UHFFFAOYSA-N	-1	0	268.382	2.513	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000901569204	620862622	/nfs/dbraw/zinc/86/26/22/620862622.db2.gz	JXRLOMMCTCMFPC-NSHDSACASA-N	-1	0	282.384	2.712	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cscc1C(F)(F)F	ZINC000901585288	620869735	/nfs/dbraw/zinc/86/97/35/620869735.db2.gz	COCNPIDTPNMEMH-UHFFFAOYSA-N	-1	0	279.283	2.840	20	30		CFEDRM
C#Cc1ccc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1	ZINC000901785935	620915213	/nfs/dbraw/zinc/91/52/13/620915213.db2.gz	IFFWGVTZYNIGTG-AWEZNQCLSA-N	-1	0	297.276	2.507	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000902010258	620957118	/nfs/dbraw/zinc/95/71/18/620957118.db2.gz	CIGJEXKGDORXEQ-KRWDZBQOSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000902079514	620969921	/nfs/dbraw/zinc/96/99/21/620969921.db2.gz	GDQGBMJNDSPDDD-LBPRGKRZSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000902730744	621160363	/nfs/dbraw/zinc/16/03/63/621160363.db2.gz	SLWVUEINPUNXNC-LLVKDONJSA-N	-1	0	288.347	2.626	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)[N-]c1n[nH]nc1C	ZINC000903184292	621278017	/nfs/dbraw/zinc/27/80/17/621278017.db2.gz	LIPWDDOGIUNWDZ-UHFFFAOYSA-N	-1	0	288.417	2.605	20	30		CFEDRM
N#Cc1cccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904189143	621545872	/nfs/dbraw/zinc/54/58/72/621545872.db2.gz	BSWNOLBMKIDLSL-STQMWFEESA-N	-1	0	271.320	2.549	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC000905016802	621682270	/nfs/dbraw/zinc/68/22/70/621682270.db2.gz	XKRDKNUDDHKIER-CYBMUJFWSA-N	-1	0	276.336	2.926	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000905018213	621682411	/nfs/dbraw/zinc/68/24/11/621682411.db2.gz	UFEXFRTWHHFZIN-LBPRGKRZSA-N	-1	0	298.289	2.896	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000194001043	625514572	/nfs/dbraw/zinc/51/45/72/625514572.db2.gz	LUPBILLQVNXOFE-UHFFFAOYSA-N	-1	0	297.420	2.993	20	30		CFEDRM
C[C@H]1[C@](C)(CN=Nc2ccc(C(=O)[O-])cn2)[C@]1(F)Cl	ZINC000905457384	621776889	/nfs/dbraw/zinc/77/68/89/621776889.db2.gz	QHIANMVBUVHTFK-QILRFPOHSA-N	-1	0	285.706	2.738	20	30		CFEDRM
CCCS(=O)(=O)[N-]c1sc(C)c(CC)c1C#N	ZINC000906073662	621928903	/nfs/dbraw/zinc/92/89/03/621928903.db2.gz	QUUVWRDQJVFNOX-UHFFFAOYSA-N	-1	0	272.395	2.642	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000907548678	622135522	/nfs/dbraw/zinc/13/55/22/622135522.db2.gz	BEXJAIRWIJUJBY-GHMZBOCLSA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907563939	622137081	/nfs/dbraw/zinc/13/70/81/622137081.db2.gz	JNCFZQKGUMUYCK-RHSMWYFYSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC1(CC(=O)NC[C@@H](CC)C(=O)[O-])CCCCC1	ZINC000907686915	622151967	/nfs/dbraw/zinc/15/19/67/622151967.db2.gz	AQYUTZVOCSWBOU-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC1(CC(=O)NC2(CC(=O)[O-])CC2)CCCCC1	ZINC000907692049	622152884	/nfs/dbraw/zinc/15/28/84/622152884.db2.gz	RZPIVAHIRBWDLJ-UHFFFAOYSA-N	-1	0	265.353	2.637	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000907705734	622154012	/nfs/dbraw/zinc/15/40/12/622154012.db2.gz	ZSGUZTWYVPVGMA-VXGBXAGGSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=CCCCN(CC)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000908222627	622203022	/nfs/dbraw/zinc/20/30/22/622203022.db2.gz	WAGNONXEKHTYAN-UHFFFAOYSA-N	-1	0	255.358	2.692	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000908222181	622203214	/nfs/dbraw/zinc/20/32/14/622203214.db2.gz	SGNXAKGOLAADAC-UHFFFAOYSA-N	-1	0	279.311	2.952	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCCC2CC2)CC2CCC1CC2	ZINC000908383547	622224316	/nfs/dbraw/zinc/22/43/16/622224316.db2.gz	RTKHCRBPCYSMIS-SSDMNJCBSA-N	-1	0	262.353	2.554	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000908920190	622285023	/nfs/dbraw/zinc/28/50/23/622285023.db2.gz	PTFKVODPPYHNCF-ZDUSSCGKSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000909031429	622298074	/nfs/dbraw/zinc/29/80/74/622298074.db2.gz	ZTEZKJMCWGNLQA-AWEZNQCLSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000909166047	622324227	/nfs/dbraw/zinc/32/42/27/622324227.db2.gz	OHJAECDEANDTCF-UHFFFAOYSA-N	-1	0	291.347	2.999	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909293887	622336059	/nfs/dbraw/zinc/33/60/59/622336059.db2.gz	KTWVXBORNXGULM-XJKSGUPXSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909700615	622342655	/nfs/dbraw/zinc/34/26/55/622342655.db2.gz	MXEDACMQCBWXOK-CABCVRRESA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC=C)c1ccccc1)C(=O)[O-]	ZINC000909711499	622343881	/nfs/dbraw/zinc/34/38/81/622343881.db2.gz	CBWSFJZMPBNNQT-HUUCEWRRSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1coc2ccccc12)C(=O)[O-]	ZINC000909714171	622344300	/nfs/dbraw/zinc/34/43/00/622344300.db2.gz	UPVFWHOQSZNVAM-CYBMUJFWSA-N	-1	0	287.315	2.511	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000909717278	622346138	/nfs/dbraw/zinc/34/61/38/622346138.db2.gz	XQRDOWQGTTXPMB-GXTWGEPZSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000909733103	622347756	/nfs/dbraw/zinc/34/77/56/622347756.db2.gz	MAQHNVRMVHXHFS-UHFFFAOYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CCOCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1	ZINC000909845267	622360756	/nfs/dbraw/zinc/36/07/56/622360756.db2.gz	RVMSNLXJVSXJNH-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccoc1CC(=O)[O-]	ZINC000909932071	622372766	/nfs/dbraw/zinc/37/27/66/622372766.db2.gz	IKEXPZVUOBSQSK-AAEUAGOBSA-N	-1	0	291.347	2.771	20	30		CFEDRM
C=C1CCC(C(=O)N2CC3(CCC3)[C@](F)(C(=O)[O-])C2)CC1	ZINC000909935882	622373825	/nfs/dbraw/zinc/37/38/25/622373825.db2.gz	QIEIXQMZFTVNHF-MRXNPFEDSA-N	-1	0	295.354	2.538	20	30		CFEDRM
C=CC[C@H]1N(C(=O)CCSCC(=O)[O-])CCCC1(C)C	ZINC000910023133	622387207	/nfs/dbraw/zinc/38/72/07/622387207.db2.gz	PUBPYQBIFUMJLF-GFCCVEGCSA-N	-1	0	299.436	2.788	20	30		CFEDRM
C#CC[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-]	ZINC000910055145	622392874	/nfs/dbraw/zinc/39/28/74/622392874.db2.gz	YHQPGCKAXDBBHP-UYSNPLJNSA-N	-1	0	299.370	2.553	20	30		CFEDRM
C#CC[C@@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910045754	622396664	/nfs/dbraw/zinc/39/66/64/622396664.db2.gz	GNFIEXJNFXBUQV-GMNBZTITSA-N	-1	0	299.370	2.806	20	30		CFEDRM
C#CCCCCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000910097865	622405353	/nfs/dbraw/zinc/40/53/53/622405353.db2.gz	BMPCWJVXZYEXAX-JKSUJKDBSA-N	-1	0	299.370	2.997	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910153534	622407273	/nfs/dbraw/zinc/40/72/73/622407273.db2.gz	AXFDXRXSLHSKGW-RCBQFDQVSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910153809	622407334	/nfs/dbraw/zinc/40/73/34/622407334.db2.gz	VQWMEEDPTJOGJH-SDBXPKJASA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)C1	ZINC000910232730	622414770	/nfs/dbraw/zinc/41/47/70/622414770.db2.gz	FWEUYJFOMQPKQX-ZDUSSCGKSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCCC(C)C)C(=O)[O-]	ZINC000910264784	622420734	/nfs/dbraw/zinc/42/07/34/622420734.db2.gz	CBMILJKDZVEHSU-JTQLQIEISA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCC1(C)C)C(=O)[O-]	ZINC000910268437	622421510	/nfs/dbraw/zinc/42/15/10/622421510.db2.gz	YIVKSIXCPNZCEC-NXEZZACHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1=CCCCCC1)C(=O)[O-]	ZINC000910265679	622421655	/nfs/dbraw/zinc/42/16/55/622421655.db2.gz	IXKZWFJNCMPVLU-NSHDSACASA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc(C(C)C)n1)C(=O)[O-]	ZINC000910265569	622421676	/nfs/dbraw/zinc/42/16/76/622421676.db2.gz	HSXRYKWZRXCLCH-GFCCVEGCSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000910271648	622422623	/nfs/dbraw/zinc/42/26/23/622422623.db2.gz	RDYZREFOHJMVRV-VQXHTEKXSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910292368	622430083	/nfs/dbraw/zinc/43/00/83/622430083.db2.gz	DSIYGSYMWMZDKU-SECBINFHSA-N	-1	0	277.311	2.594	20	30		CFEDRM
N#Cc1nc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)ccc1Cl	ZINC000910397004	622441159	/nfs/dbraw/zinc/44/11/59/622441159.db2.gz	NZDRAIBDOCUHHV-BDAKNGLRSA-N	-1	0	279.727	2.662	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910501662	622452582	/nfs/dbraw/zinc/45/25/82/622452582.db2.gz	APDMICCVVXXCGB-QGZVFWFLSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCCC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-]	ZINC000910587508	622457369	/nfs/dbraw/zinc/45/73/69/622457369.db2.gz	WKXZVUWBDFFFCU-ZDUSSCGKSA-N	-1	0	287.315	2.511	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccccc1CC)C(=O)[O-]	ZINC000910912849	622485559	/nfs/dbraw/zinc/48/55/59/622485559.db2.gz	PDYKYPJGMHETBW-AWEZNQCLSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC1(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])CCC1	ZINC000910912295	622485592	/nfs/dbraw/zinc/48/55/92/622485592.db2.gz	QIFPHCMFJXINGX-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1sc(CC)nc1C)C(=O)[O-]	ZINC000910914949	622486038	/nfs/dbraw/zinc/48/60/38/622486038.db2.gz	QGUXIIRXRZWSAS-SNVBAGLBSA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910913172	622486189	/nfs/dbraw/zinc/48/61/89/622486189.db2.gz	WSCMWOQWPJWXHI-COPLHBTASA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000910914669	622486221	/nfs/dbraw/zinc/48/62/21/622486221.db2.gz	MKOYDSXMOMRZTD-ZFWWWQNUSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C\C(C)(C)C)C(=O)[O-]	ZINC000910914638	622486299	/nfs/dbraw/zinc/48/62/99/622486299.db2.gz	MFVBCOUYWUJGNQ-DWOQACPDSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)C(=C)C)C(=O)[O-]	ZINC000910916821	622486686	/nfs/dbraw/zinc/48/66/86/622486686.db2.gz	ISMMEVUGGRKBMI-LLVKDONJSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)cc(F)c1)C(=O)[O-]	ZINC000910915338	622486735	/nfs/dbraw/zinc/48/67/35/622486735.db2.gz	XQTYKYXJXKMSDR-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccn1C(C)C)C(=O)[O-]	ZINC000910916366	622486803	/nfs/dbraw/zinc/48/68/03/622486803.db2.gz	VHQMRVINRSITQX-GFCCVEGCSA-N	-1	0	278.352	2.608	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC(C)(C)CC)C(=O)[O-]	ZINC000910916673	622486845	/nfs/dbraw/zinc/48/68/45/622486845.db2.gz	HXQFMWPFANMHIQ-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/c1cccs1)C(=O)[O-]	ZINC000910918441	622487254	/nfs/dbraw/zinc/48/72/54/622487254.db2.gz	LHVXDOJTYAPCME-IDVQTMNDSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1=CCCCCC1)C(=O)[O-]	ZINC000910917658	622487289	/nfs/dbraw/zinc/48/72/89/622487289.db2.gz	SXACALGQULLPRH-ZDUSSCGKSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1sccc1C)C(=O)[O-]	ZINC000910919207	622487293	/nfs/dbraw/zinc/48/72/93/622487293.db2.gz	UJAJVHYYZKQXCA-JTQLQIEISA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1coc(SC)c1)C(=O)[O-]	ZINC000910921148	622487350	/nfs/dbraw/zinc/48/73/50/622487350.db2.gz	BTJUXIMGZHRFDA-SNVBAGLBSA-N	-1	0	283.349	2.541	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1coc(C(F)F)c1)C(=O)[O-]	ZINC000910922134	622487586	/nfs/dbraw/zinc/48/75/86/622487586.db2.gz	HNEBRDJVDJDGAG-SECBINFHSA-N	-1	0	287.262	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C(=O)[O-]	ZINC000910921645	622487616	/nfs/dbraw/zinc/48/76/16/622487616.db2.gz	DNZJCRFOZAKVIG-CHWSQXEVSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H](C)c1ccco1)C(=O)[O-]	ZINC000910922872	622487619	/nfs/dbraw/zinc/48/76/19/622487619.db2.gz	OCHFGVXVZKVYRS-NWDGAFQWSA-N	-1	0	279.336	2.699	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C(=O)[O-]	ZINC000910923597	622487623	/nfs/dbraw/zinc/48/76/23/622487623.db2.gz	UFBHWJLHQKPDCL-CHWSQXEVSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](OCC)C1CCCC1)C(=O)[O-]	ZINC000910923287	622487872	/nfs/dbraw/zinc/48/78/72/622487872.db2.gz	RRMPJBUFSYKHAT-UONOGXRCSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)CCCC)C(=O)[O-]	ZINC000910924903	622488292	/nfs/dbraw/zinc/48/82/92/622488292.db2.gz	GNYZOYPFKBNOTQ-RYUDHWBXSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910926267	622488295	/nfs/dbraw/zinc/48/82/95/622488295.db2.gz	LDFAUMNCZUTNHH-BBRMVZONSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000910925146	622488394	/nfs/dbraw/zinc/48/83/94/622488394.db2.gz	HXYKRZJOQLZPCL-GFCCVEGCSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)[O-]	ZINC000910924747	622488459	/nfs/dbraw/zinc/48/84/59/622488459.db2.gz	DLQJFUMTFRVPDA-RQJABVFESA-N	-1	0	277.364	2.514	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000910949168	622488830	/nfs/dbraw/zinc/48/88/30/622488830.db2.gz	GPHTVARPKYPGHD-UHFFFAOYSA-N	-1	0	295.360	2.638	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000911084614	622502060	/nfs/dbraw/zinc/50/20/60/622502060.db2.gz	HCHZTIWJBJSMIZ-UHFFFAOYSA-N	-1	0	274.320	2.559	20	30		CFEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1NCC	ZINC000911083953	622502111	/nfs/dbraw/zinc/50/21/11/622502111.db2.gz	XVTSXYXWZSFKDS-UHFFFAOYSA-N	-1	0	262.309	2.721	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000911408554	622520174	/nfs/dbraw/zinc/52/01/74/622520174.db2.gz	CNEDYJWGGLJTNH-SNVBAGLBSA-N	-1	0	291.734	2.524	20	30		CFEDRM
C=C(C)[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675259	622533826	/nfs/dbraw/zinc/53/38/26/622533826.db2.gz	ALKWEMPZMCUTKO-OTYXRUKQSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C(=O)[O-])C1CCCCCC1	ZINC000911778261	622550817	/nfs/dbraw/zinc/55/08/17/622550817.db2.gz	LJWGIYUJMVVMRE-HNNXBMFYSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccncc1	ZINC000819819406	622564148	/nfs/dbraw/zinc/56/41/48/622564148.db2.gz	ZCIUYHRDMUBJCQ-COPLHBTASA-N	-1	0	275.352	2.609	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccncc1	ZINC000819819407	622564398	/nfs/dbraw/zinc/56/43/98/622564398.db2.gz	ZCIUYHRDMUBJCQ-MJVIPROJSA-N	-1	0	275.352	2.609	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1sc(CCCC)nc1C	ZINC000911902931	622578912	/nfs/dbraw/zinc/57/89/12/622578912.db2.gz	JFSVSMQIHOUZIV-JTQLQIEISA-N	-1	0	282.409	2.959	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1nccc(Br)c1[O-]	ZINC000913025690	622822397	/nfs/dbraw/zinc/82/23/97/622822397.db2.gz	XNIXWQJMZQKFEZ-UHFFFAOYSA-N	-1	0	285.141	2.700	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000821108403	622848243	/nfs/dbraw/zinc/84/82/43/622848243.db2.gz	TWVPYKHHBRMTFT-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000156625572	622951988	/nfs/dbraw/zinc/95/19/88/622951988.db2.gz	HESGZJQLTGDRRU-DUXPYHPUSA-N	-1	0	271.297	2.927	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045099920	622964885	/nfs/dbraw/zinc/96/48/85/622964885.db2.gz	KIWYYBXOKYWABJ-LLVKDONJSA-N	-1	0	297.351	2.968	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000164813869	622969055	/nfs/dbraw/zinc/96/90/55/622969055.db2.gz	YOHRDAYSABDWIT-UHFFFAOYSA-N	-1	0	289.441	2.983	20	30		CFEDRM
O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccccc1	ZINC000046708607	623094296	/nfs/dbraw/zinc/09/42/96/623094296.db2.gz	LIIGVSZCENGWEO-UHFFFAOYSA-N	-1	0	293.319	2.714	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708808	623094930	/nfs/dbraw/zinc/09/49/30/623094930.db2.gz	YHMNNOHCPGMSDA-UHFFFAOYSA-N	-1	0	261.730	2.641	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cccc(F)c1Cl	ZINC000076761966	623140072	/nfs/dbraw/zinc/14/00/72/623140072.db2.gz	OWADDTIGZUKJHS-UHFFFAOYSA-N	-1	0	293.747	2.914	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)c1ccccc1)C(=O)[O-]	ZINC000823369127	623299840	/nfs/dbraw/zinc/29/98/40/623299840.db2.gz	WUZIYNCDLUJKRX-GCZGRYASSA-N	-1	0	273.332	2.626	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2)C1	ZINC000062875085	623301597	/nfs/dbraw/zinc/30/15/97/623301597.db2.gz	IRTSDEVLOJNVJP-OAHLLOKOSA-N	-1	0	258.321	2.639	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)Nc1cccnc1Cl	ZINC000824232433	623473687	/nfs/dbraw/zinc/47/36/87/623473687.db2.gz	JCGPHIBCUZERRG-UWVGGRQHSA-N	-1	0	283.759	2.548	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814906046	623483174	/nfs/dbraw/zinc/48/31/74/623483174.db2.gz	DJHDXTUWTNINBP-JQWIXIFHSA-N	-1	0	254.374	2.889	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C2(C3CC3)CCC2)c1	ZINC000913667081	623550696	/nfs/dbraw/zinc/55/06/96/623550696.db2.gz	VCVOZECXAPOMKU-UHFFFAOYSA-N	-1	0	256.305	2.549	20	30		CFEDRM
C[C@H]1C(=NNC2CCCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814910042	623646783	/nfs/dbraw/zinc/64/67/83/623646783.db2.gz	PXRYFHNWSCUZBD-MNOVXSKESA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@@H]1C(=NNC2CCCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814910052	623646997	/nfs/dbraw/zinc/64/69/97/623646997.db2.gz	PXRYFHNWSCUZBD-WDEREUQCSA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@@H]1CC(=NOCCC(F)(F)F)CC[C@H]1C(=O)[O-]	ZINC000814910309	623695416	/nfs/dbraw/zinc/69/54/16/623695416.db2.gz	SJYPKHWWPFEOGH-VXNVDRBHSA-N	-1	0	267.247	2.832	20	30		CFEDRM
N#CC1(NC(=O)c2ccc3oc(=S)[n-]c3c2)CCCC1	ZINC000826140044	623797590	/nfs/dbraw/zinc/79/75/90/623797590.db2.gz	WCPKWPHBCMFESO-UHFFFAOYSA-N	-1	0	287.344	2.683	20	30		CFEDRM
CC(C)(C)C1CCN(N=Cc2c[nH]c(C(=O)[O-])c2)CC1	ZINC000814913163	623914382	/nfs/dbraw/zinc/91/43/82/623914382.db2.gz	IMSWRGXMFPJAJV-UHFFFAOYSA-N	-1	0	277.368	2.805	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2Cc3ccccc3O2)c1	ZINC000914701872	623923152	/nfs/dbraw/zinc/92/31/52/623923152.db2.gz	QIJUWLCELCEVKJ-DUPVFGOHSA-N	-1	0	298.298	2.723	20	30		CFEDRM
CC(=NOC(C)C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000835001408	623924035	/nfs/dbraw/zinc/92/40/35/623924035.db2.gz	GBGLXRCZVSDVBH-UHFFFAOYSA-N	-1	0	250.298	2.546	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC(C(F)F)C2)cc1	ZINC000766007636	624124504	/nfs/dbraw/zinc/12/45/04/624124504.db2.gz	AAJXPRZVKXXMOD-UHFFFAOYSA-N	-1	0	254.236	2.828	20	30		CFEDRM
Cc1cc([O-])cc2c1C(=O)C(=NNc1ccccc1)O2	ZINC000915933190	624193636	/nfs/dbraw/zinc/19/36/36/624193636.db2.gz	NCAXSMNCEXSWAJ-UHFFFAOYSA-N	-1	0	268.272	2.701	20	30		CFEDRM
CCCCNN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000915969290	624197235	/nfs/dbraw/zinc/19/72/35/624197235.db2.gz	HWANVLNODUCYSZ-UHFFFAOYSA-N	-1	0	271.704	2.677	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCC[C@@H](O)C2)c1[O-]	ZINC000915983221	624202478	/nfs/dbraw/zinc/20/24/78/624202478.db2.gz	UHVRVTSDSPGTIU-UOZUHTBQSA-N	-1	0	298.726	2.676	20	30		CFEDRM
C#CCOc1ccccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000916240855	624230053	/nfs/dbraw/zinc/23/00/53/624230053.db2.gz	QYZVPASUWHZYBS-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1O	ZINC000916255288	624231062	/nfs/dbraw/zinc/23/10/62/624231062.db2.gz	PGCFMCHSJGXOLK-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
Fc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F	ZINC000916305438	624238167	/nfs/dbraw/zinc/23/81/67/624238167.db2.gz	RDQMGYMAPLUWMG-UHFFFAOYSA-N	-1	0	290.245	2.607	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccco1	ZINC000916871469	624289504	/nfs/dbraw/zinc/28/95/04/624289504.db2.gz	UEVMYXIQTNGJLF-CYBMUJFWSA-N	-1	0	279.295	2.903	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc2ccccc21	ZINC000916916942	624291952	/nfs/dbraw/zinc/29/19/52/624291952.db2.gz	FCHMSJFCOPNZGL-LLVKDONJSA-N	-1	0	284.340	2.526	20	30		CFEDRM
CCOc1ccccc1C(C)=NNc1[n-]cnc2ncnc1-2	ZINC000917554925	624359575	/nfs/dbraw/zinc/35/95/75/624359575.db2.gz	MBHSTTBONBXQPX-UHFFFAOYSA-N	-1	0	296.334	2.588	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OC2CCCCC2)CC12CCCC2	ZINC000829052912	624361018	/nfs/dbraw/zinc/36/10/18/624361018.db2.gz	ONKWRUFWDLQDIK-HNNXBMFYSA-N	-1	0	262.353	2.841	20	30		CFEDRM
CC(C)(C#N)CCCn1[n-]c(=O)c(Cl)c(Cl)c1=O	ZINC000918256413	624430093	/nfs/dbraw/zinc/43/00/93/624430093.db2.gz	UWRNOJNAONTASZ-UHFFFAOYSA-N	-1	0	290.150	2.586	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2sccc2s1	ZINC000918486491	624440176	/nfs/dbraw/zinc/44/01/76/624440176.db2.gz	IUIAZWVUAMQELD-MRVPVSSYSA-N	-1	0	292.385	2.810	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328076	624709776	/nfs/dbraw/zinc/70/97/76/624709776.db2.gz	KVBXYTQIMKFLDR-AWEZNQCLSA-N	-1	0	278.283	2.612	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCCC2)o1	ZINC000175103973	624927319	/nfs/dbraw/zinc/92/73/19/624927319.db2.gz	QPMFGAMPSLTTED-CYBMUJFWSA-N	-1	0	288.347	2.668	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2OCCc3ccccc32)c1	ZINC000179739405	624976050	/nfs/dbraw/zinc/97/60/50/624976050.db2.gz	DKIOSEMBKNUXSB-MRXNPFEDSA-N	-1	0	294.310	2.516	20	30		CFEDRM
Cn1ncc(C2CCC2)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000831272121	624980420	/nfs/dbraw/zinc/98/04/20/624980420.db2.gz	QTZVAMFXMZTFSQ-UHFFFAOYSA-N	-1	0	296.330	2.517	20	30		CFEDRM
CCCC(=CC(=O)C(C#N)=C([O-])c1nccn1C)CCC	ZINC000181321372	625102546	/nfs/dbraw/zinc/10/25/46/625102546.db2.gz	JCFLFALRYYJJOX-CYBMUJFWSA-N	-1	0	287.363	2.838	20	30		CFEDRM
CC(C)C#CC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000832320068	625278736	/nfs/dbraw/zinc/27/87/36/625278736.db2.gz	PENYWHLGHWXPBQ-UHFFFAOYSA-N	-1	0	255.676	2.783	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000851615580	634456165	/nfs/dbraw/zinc/45/61/65/634456165.db2.gz	MWMKTEAHPLZXOQ-MCIONIFRSA-N	-1	0	299.411	2.731	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCC3)nc1	ZINC000834965895	625936360	/nfs/dbraw/zinc/93/63/60/625936360.db2.gz	BBJGWGRFUXNCQI-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
Cc1ccc(CN=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000835008488	625954753	/nfs/dbraw/zinc/95/47/53/625954753.db2.gz	JWQVWFHIDGKGNJ-OCCSQVGLSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@]1(C)CCCO1	ZINC000835008599	625955312	/nfs/dbraw/zinc/95/53/12/625955312.db2.gz	HQSDPHHPMJIYAH-CQSZACIVSA-N	-1	0	280.299	2.881	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CCC2)cn1	ZINC000835010346	625956989	/nfs/dbraw/zinc/95/69/89/625956989.db2.gz	YDUAIUDESGRXPZ-LLVKDONJSA-N	-1	0	259.309	2.758	20	30		CFEDRM
CO[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009883	625957184	/nfs/dbraw/zinc/95/71/84/625957184.db2.gz	GSMLKDACTZLCOF-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccccc2F)CC[C@H]1C(=O)[O-]	ZINC000835011773	625957835	/nfs/dbraw/zinc/95/78/35/625957835.db2.gz	TWENAHMVFJVYRR-GXFFZTMASA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@H]1C(=NNCc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000835010875	625957913	/nfs/dbraw/zinc/95/79/13/625957913.db2.gz	JWOOPLFXNVGSGH-GHMZBOCLSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(=NNCC(C)C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814891799	625958432	/nfs/dbraw/zinc/95/84/32/625958432.db2.gz	AJICQBZTEYJCDB-GFCCVEGCSA-N	-1	0	278.352	2.508	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000073532634	626031183	/nfs/dbraw/zinc/03/11/83/626031183.db2.gz	ZAIWKILYEZDCFU-UHFFFAOYSA-N	-1	0	298.751	2.823	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)ccc1F	ZINC000073837927	626396094	/nfs/dbraw/zinc/39/60/94/626396094.db2.gz	OMPKGOWRBJFSRK-UHFFFAOYSA-N	-1	0	287.356	2.957	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C)oc1C	ZINC000073837767	626396117	/nfs/dbraw/zinc/39/61/17/626396117.db2.gz	VVYWKGNCXOKPIX-UHFFFAOYSA-N	-1	0	273.354	2.719	20	30		CFEDRM
N#C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC12CCCC2	ZINC000923050185	626446852	/nfs/dbraw/zinc/44/68/52/626446852.db2.gz	SUCWQZSPIWIOHH-MRXNPFEDSA-N	-1	0	284.315	2.797	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000923059820	626447260	/nfs/dbraw/zinc/44/72/60/626447260.db2.gz	AUNUOMRNISWKDD-UHFFFAOYSA-N	-1	0	288.347	2.673	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1	ZINC000923082107	626449634	/nfs/dbraw/zinc/44/96/34/626449634.db2.gz	YUJLPHBVXQMFMA-LLVKDONJSA-N	-1	0	298.342	2.897	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1	ZINC000923083324	626449714	/nfs/dbraw/zinc/44/97/14/626449714.db2.gz	NOVYRWXOKOQLGK-LLVKDONJSA-N	-1	0	298.342	2.897	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923105385	626451625	/nfs/dbraw/zinc/45/16/25/626451625.db2.gz	SXYLITJPSIKFMQ-WISYIIOYSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000923105302	626451632	/nfs/dbraw/zinc/45/16/32/626451632.db2.gz	QUQCPNPQCLVIQZ-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1	ZINC000923193229	626456173	/nfs/dbraw/zinc/45/61/73/626456173.db2.gz	IHLZVSQPGQMALI-NPJQDHAYSA-N	-1	0	299.370	2.572	20	30		CFEDRM
CCCCCCCCC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000103433447	626535275	/nfs/dbraw/zinc/53/52/75/626535275.db2.gz	ZMSNFBRNSLUBLR-LBPRGKRZSA-N	-1	0	257.374	2.916	20	30		CFEDRM
CC(N=Nc1ccc(Cl)nn1)c1ccccc1C(=O)[O-]	ZINC000757450573	626552395	/nfs/dbraw/zinc/55/23/95/626552395.db2.gz	FFADFTNKRUHIJG-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
O=C(/C=C\c1cn(-c2ccccc2)nn1)c1ccccc1[O-]	ZINC000757474172	626553219	/nfs/dbraw/zinc/55/32/19/626553219.db2.gz	KEPBKDGCDDAOGJ-KHPPLWFESA-N	-1	0	291.310	2.869	20	30		CFEDRM
C=CCCC[C@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759131227	626629670	/nfs/dbraw/zinc/62/96/70/626629670.db2.gz	WHQMFEXBVVHMQR-VIFPVBQESA-N	-1	0	295.301	2.732	20	30		CFEDRM
C=C(Br)COC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759547328	626669670	/nfs/dbraw/zinc/66/96/70/626669670.db2.gz	YYZAXBSGLSOKQQ-UHFFFAOYSA-N	-1	0	293.063	2.736	20	30		CFEDRM
CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000760769828	626771185	/nfs/dbraw/zinc/77/11/85/626771185.db2.gz	PCMOYKUIKWGQFQ-SCSAIBSYSA-N	-1	0	269.160	2.734	20	30		CFEDRM
CC(=[NH+][N-]c1cnn(C)c1)c1ccc(N2CCCC2)cc1O	ZINC000761881482	626869181	/nfs/dbraw/zinc/86/91/81/626869181.db2.gz	OYMJGNHOMCTJCN-UHFFFAOYSA-N	-1	0	299.378	2.562	20	30		CFEDRM
Cn1cc(NN=Cc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000761885081	626869890	/nfs/dbraw/zinc/86/98/90/626869890.db2.gz	NVPPFESMLAVMJK-UHFFFAOYSA-N	-1	0	285.134	2.879	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)CCCCC	ZINC000762047616	626884248	/nfs/dbraw/zinc/88/42/48/626884248.db2.gz	MBYRFHJXQWMPMU-GFCCVEGCSA-N	-1	0	255.358	2.692	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000762068743	626886111	/nfs/dbraw/zinc/88/61/11/626886111.db2.gz	NHICIUHEHGASFA-CYBMUJFWSA-N	-1	0	299.374	2.586	20	30		CFEDRM
COc1c(C)cc(CN=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763368834	626983125	/nfs/dbraw/zinc/98/31/25/626983125.db2.gz	AMYOGXHBKIRJKI-UHFFFAOYSA-N	-1	0	299.330	2.851	20	30		CFEDRM
O=C([O-])c1ccc(N=NC=CCc2ccccc2)nc1	ZINC000763368875	626983199	/nfs/dbraw/zinc/98/31/99/626983199.db2.gz	BMXJRUXLMBMYBT-ZFENKPHASA-N	-1	0	267.288	2.891	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(F)c(F)c2)nc1	ZINC000763368068	626983200	/nfs/dbraw/zinc/98/32/00/626983200.db2.gz	JLTJUXHXRPPEAB-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
Cc1cccc(CNN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000764710515	627086461	/nfs/dbraw/zinc/08/64/61/627086461.db2.gz	WRHLSTANWZXVCP-UHFFFAOYSA-N	-1	0	285.303	2.733	20	30		CFEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cn1	ZINC000764892334	627105007	/nfs/dbraw/zinc/10/50/07/627105007.db2.gz	VZGJDOAVCQWAJX-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(C)CCC1	ZINC000766030508	627172895	/nfs/dbraw/zinc/17/28/95/627172895.db2.gz	TVWHABVMUUCALO-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
Cn1nccc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1Cl	ZINC000766034932	627173385	/nfs/dbraw/zinc/17/33/85/627173385.db2.gz	VFKMXYXXAMIFHY-SNAWJCMRSA-N	-1	0	290.706	2.668	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc2ccsc21	ZINC000767960595	627298245	/nfs/dbraw/zinc/29/82/45/627298245.db2.gz	UNUWDPNFLZDCJO-LBPRGKRZSA-N	-1	0	286.356	2.748	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc2ccsc21	ZINC000767961750	627298330	/nfs/dbraw/zinc/29/83/30/627298330.db2.gz	ZZXMLIVNHMLMTL-GFCCVEGCSA-N	-1	0	284.340	2.502	20	30		CFEDRM
CC(=NN=Cc1cc(Cl)cc(F)c1[O-])c1cnccn1	ZINC000768366922	627337205	/nfs/dbraw/zinc/33/72/05/627337205.db2.gz	KRMWLBPUYCZCAO-UHFFFAOYSA-N	-1	0	292.701	2.818	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000769243154	627414957	/nfs/dbraw/zinc/41/49/57/627414957.db2.gz	GOMKCJJGWWBLCX-UHFFFAOYSA-N	-1	0	278.333	2.648	20	30		CFEDRM
CC(C)(C)n1ncc2c1nc(N=NC1CCCC1)[n-]c2=O	ZINC000769807296	627476641	/nfs/dbraw/zinc/47/66/41/627476641.db2.gz	KAMDBSXXQAJYFK-UHFFFAOYSA-N	-1	0	288.355	2.629	20	30		CFEDRM
CCC(=NNCC(F)(F)F)c1ccc(C(=O)[O-])cc1	ZINC000769820806	627478496	/nfs/dbraw/zinc/47/84/96/627478496.db2.gz	DJJXMNINNFLZMR-UHFFFAOYSA-N	-1	0	274.242	2.651	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc2cc(C)c(C)cc12	ZINC000770846445	627551254	/nfs/dbraw/zinc/55/12/54/627551254.db2.gz	JBIWBWHTIOJGAG-CYBMUJFWSA-N	-1	0	296.326	2.674	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862393	627552160	/nfs/dbraw/zinc/55/21/60/627552160.db2.gz	MNGRWDBXZAGBOV-UPJWGTAASA-N	-1	0	287.363	2.528	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cn1	ZINC000771510572	627610498	/nfs/dbraw/zinc/61/04/98/627610498.db2.gz	LDWJQZVPHDQMOM-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])o1	ZINC000772988809	627765684	/nfs/dbraw/zinc/76/56/84/627765684.db2.gz	ARMCCLZURPSRTE-UHFFFAOYSA-N	-1	0	289.247	2.722	20	30		CFEDRM
CC(=N[N-]c1ccc(C)c[nH+]1)c1ccc(C(=O)[O-])o1	ZINC000773053921	627775674	/nfs/dbraw/zinc/77/56/74/627775674.db2.gz	FZMHZHIIKKMUSY-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
O=C(C=Cc1cn(-c2ccccc2)nn1)c1sccc1[O-]	ZINC000773143131	627788245	/nfs/dbraw/zinc/78/82/45/627788245.db2.gz	MVMBKFXBGGMKOX-VOTSOKGWSA-N	-1	0	297.339	2.931	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cc(C(=O)[O-])cs1	ZINC000773159324	627790116	/nfs/dbraw/zinc/79/01/16/627790116.db2.gz	HGAJGJHCUFHVNZ-LFYBBSHMSA-N	-1	0	296.307	2.811	20	30		CFEDRM
Cc1ccc(CCCN=Nc2ccc(C(=O)[O-])cn2)cn1	ZINC000774396997	627921362	/nfs/dbraw/zinc/92/13/62/627921362.db2.gz	VSSHETORRIEWCP-UHFFFAOYSA-N	-1	0	284.319	2.514	20	30		CFEDRM
C[C@H](Oc1cccc(C=NOC2CCCC2)c1)C(=O)[O-]	ZINC000774607695	627941573	/nfs/dbraw/zinc/94/15/73/627941573.db2.gz	HEOGGGUNVKNTIJ-NSHDSACASA-N	-1	0	277.320	2.832	20	30		CFEDRM
C[C@@H](C#N)CN(C)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775655891	628050445	/nfs/dbraw/zinc/05/04/45/628050445.db2.gz	MHXHWEZXHXNPEB-QMMMGPOBSA-N	-1	0	256.708	2.776	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775962024	628088820	/nfs/dbraw/zinc/08/88/20/628088820.db2.gz	DHDYTBYGUQKIOH-UHFFFAOYSA-N	-1	0	281.718	2.814	20	30		CFEDRM
COC[C@H](C)NN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000777902657	628263569	/nfs/dbraw/zinc/26/35/69/628263569.db2.gz	SEHSOCJHHUQYCN-ZETCQYMHSA-N	-1	0	277.151	2.657	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOC1	ZINC000779708723	628394630	/nfs/dbraw/zinc/39/46/30/628394630.db2.gz	YJHGEKODJMVSTN-SLDKGUOFSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C=CCOCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000779708041	628394666	/nfs/dbraw/zinc/39/46/66/628394666.db2.gz	QYPTYODEKZXJDO-ZSOIEALJSA-N	-1	0	284.699	2.575	20	30		CFEDRM
[O-]c1c(F)cc(C=NNc2ccc3n[nH]cc3c2)cc1F	ZINC000779812642	628409836	/nfs/dbraw/zinc/40/98/36/628409836.db2.gz	VWMLYKGTKUFZAU-UHFFFAOYSA-N	-1	0	288.257	2.993	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccccc1	ZINC000780689713	628487428	/nfs/dbraw/zinc/48/74/28/628487428.db2.gz	KMMHWGJARMFYRI-CYBMUJFWSA-N	-1	0	290.363	2.856	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCC(C)C	ZINC000781099172	628521726	/nfs/dbraw/zinc/52/17/26/628521726.db2.gz	YEPAITQXHVHSGX-GFCCVEGCSA-N	-1	0	258.362	2.661	20	30		CFEDRM
CCSCCCN=Nc1ccc(C(=O)[O-])cc1	ZINC000781115304	628522689	/nfs/dbraw/zinc/52/26/89/628522689.db2.gz	MICIFBYQUKDQSE-UHFFFAOYSA-N	-1	0	252.339	2.926	20	30		CFEDRM
Cc1cccnc1C=NNc1cccc(C(=O)[O-])c1	ZINC000781572306	628560910	/nfs/dbraw/zinc/56/09/10/628560910.db2.gz	RRFXXIQZDPFXTI-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CC[C@@H]1C[C@H](CC(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000782023581	628598090	/nfs/dbraw/zinc/59/80/90/628598090.db2.gz	IBEFCIAGXHOXIJ-DGCLKSJQSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000782302231	628626537	/nfs/dbraw/zinc/62/65/37/628626537.db2.gz	RSKPWKUUFPOXQP-CQSZACIVSA-N	-1	0	290.363	2.652	20	30		CFEDRM
Cn1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2Cl)cn1	ZINC000783709168	628737214	/nfs/dbraw/zinc/73/72/14/628737214.db2.gz	YEBITYKXPNNJJB-SNAWJCMRSA-N	-1	0	290.706	2.668	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCCC[C@@H]1CCOC1	ZINC000786039290	628932071	/nfs/dbraw/zinc/93/20/71/628932071.db2.gz	TVMJCKBBZYQSOL-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
N#C[C@]1(F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000786579298	628969439	/nfs/dbraw/zinc/96/94/39/628969439.db2.gz	ONQXEWXXXDFZHM-GFCCVEGCSA-N	-1	0	272.682	2.622	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000787069937	628990883	/nfs/dbraw/zinc/99/08/83/628990883.db2.gz	UINTWLRFOOPIKK-AWEZNQCLSA-N	-1	0	296.326	2.569	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cncs1	ZINC000787171944	628997438	/nfs/dbraw/zinc/99/74/38/628997438.db2.gz	REUCFJYHENRLMS-RQOWECAXSA-N	-1	0	276.273	2.653	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)nn1	ZINC000789004656	629116032	/nfs/dbraw/zinc/11/60/32/629116032.db2.gz	WGVYROVQMUOHJC-CYBMUJFWSA-N	-1	0	296.330	2.563	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NNc2ccnc(F)c2)c2ccccc21	ZINC000789037628	629119289	/nfs/dbraw/zinc/11/92/89/629119289.db2.gz	PBKGQEFEAYNCED-CYBMUJFWSA-N	-1	0	299.305	2.999	20	30		CFEDRM
Cc1cccnc1N=NCc1ccc(OCCC(=O)[O-])cc1	ZINC000790185893	629217315	/nfs/dbraw/zinc/21/73/15/629217315.db2.gz	KSHROJJWUPHWCW-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCCC1	ZINC000835028535	629323353	/nfs/dbraw/zinc/32/33/53/629323353.db2.gz	LJGXCWHPQGLYTP-UHFFFAOYSA-N	-1	0	293.388	2.628	20	30		CFEDRM
CCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000835064743	629366831	/nfs/dbraw/zinc/36/68/31/629366831.db2.gz	HSJDSERXEMEHBV-ZDUSSCGKSA-N	-1	0	296.326	2.596	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000793057054	629480699	/nfs/dbraw/zinc/48/06/99/629480699.db2.gz	ZHCGMYASVXXLFG-LLVKDONJSA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC[C@@H](NN=C1CCOc2ccc(C(C)C)cc21)C(=O)[O-]	ZINC000793057129	629480728	/nfs/dbraw/zinc/48/07/28/629480728.db2.gz	LHERAHAUTXFHEF-CYBMUJFWSA-N	-1	0	290.363	2.749	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(Br)cc1)C(=O)[O-]	ZINC000793055039	629480818	/nfs/dbraw/zinc/48/08/18/629480818.db2.gz	JBPMWFLKFKFLNC-LLVKDONJSA-N	-1	0	299.168	2.626	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(OCC(C)C)cc1)C(=O)[O-]	ZINC000793055919	629480831	/nfs/dbraw/zinc/48/08/31/629480831.db2.gz	PNIVWSGAANALHK-AWEZNQCLSA-N	-1	0	278.352	2.508	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(-c2ccncc2)cc1)C(=O)[O-]	ZINC000793056534	629480874	/nfs/dbraw/zinc/48/08/74/629480874.db2.gz	VJTMTZVKWIORFS-MRXNPFEDSA-N	-1	0	297.358	2.925	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(F)c(Cl)c1Cl)C(=O)[O-]	ZINC000793057119	629480944	/nfs/dbraw/zinc/48/09/44/629480944.db2.gz	LCAHOAWAZMCWHN-MRVPVSSYSA-N	-1	0	293.125	2.919	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(OC2CCCC2)c1)C(=O)[O-]	ZINC000793070768	629482747	/nfs/dbraw/zinc/48/27/47/629482747.db2.gz	DRNFWHDCNDUUDV-OAHLLOKOSA-N	-1	0	290.363	2.795	20	30		CFEDRM
CC[C@@H](NN=C1CCCOc2c(Cl)cccc21)C(=O)[O-]	ZINC000793070734	629482757	/nfs/dbraw/zinc/48/27/57/629482757.db2.gz	DIGWINYUMYGDHQ-LLVKDONJSA-N	-1	0	296.754	2.670	20	30		CFEDRM
CC[C@@H](NN=Cc1cnc(-c2ccccc2)s1)C(=O)[O-]	ZINC000793072776	629482765	/nfs/dbraw/zinc/48/27/65/629482765.db2.gz	WKYYEALSBPURIV-GFCCVEGCSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@H](NN=Cc1csc(-c2cccs2)n1)C(=O)[O-]	ZINC000793071539	629482852	/nfs/dbraw/zinc/48/28/52/629482852.db2.gz	LFJDWUFMKJEKMA-VIFPVBQESA-N	-1	0	295.389	2.658	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000793071826	629482934	/nfs/dbraw/zinc/48/29/34/629482934.db2.gz	HMPLULVBIFYRBW-LLVKDONJSA-N	-1	0	280.393	2.804	20	30		CFEDRM
CC[C@@H](NN=C1CCCOc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793073485	629483499	/nfs/dbraw/zinc/48/34/99/629483499.db2.gz	WHGGXDVQYKUATR-LLVKDONJSA-N	-1	0	296.754	2.670	20	30		CFEDRM
CC[C@@H](NN=C(Cc1cccc(C)c1)C1CC1)C(=O)[O-]	ZINC000793073465	629483701	/nfs/dbraw/zinc/48/37/01/629483701.db2.gz	WAQZDJSPXIWMEX-CQSZACIVSA-N	-1	0	274.364	2.756	20	30		CFEDRM
CC[C@H](NN=C(Cc1ccccc1)C(F)(F)F)C(=O)[O-]	ZINC000793079346	629484479	/nfs/dbraw/zinc/48/44/79/629484479.db2.gz	RHZYPYKENVOCAC-JTQLQIEISA-N	-1	0	288.269	2.600	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H]1c1ccccc1)C(=O)[O-]	ZINC000793078041	629484615	/nfs/dbraw/zinc/48/46/15/629484615.db2.gz	LDHBIRYSQHETBB-OLZOCXBDSA-N	-1	0	260.337	2.763	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc2cccc(OC)c2o1)C(=O)[O-]	ZINC000793080419	629485218	/nfs/dbraw/zinc/48/52/18/629485218.db2.gz	YSFDTDPKWSVDDU-LLVKDONJSA-N	-1	0	290.319	2.618	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H]2CCCc3cccc1c32)C(=O)[O-]	ZINC000793080436	629485261	/nfs/dbraw/zinc/48/52/61/629485261.db2.gz	YYUCDIVBPFBMSF-DGCLKSJQSA-N	-1	0	272.348	2.667	20	30		CFEDRM
CC[C@@H](C)CON=C(C)c1cccc(OCC(=O)[O-])c1	ZINC000793163982	629496049	/nfs/dbraw/zinc/49/60/49/629496049.db2.gz	ORXPQQNTQBFDHZ-LLVKDONJSA-N	-1	0	279.336	2.937	20	30		CFEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OC/C=C/Cl	ZINC000794294398	629632524	/nfs/dbraw/zinc/63/25/24/629632524.db2.gz	FVVIIUIMZPCUFA-FAFAAHBOSA-N	-1	0	278.739	2.559	20	30		CFEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OC/C=C\Cl	ZINC000794294404	629632803	/nfs/dbraw/zinc/63/28/03/629632803.db2.gz	FVVIIUIMZPCUFA-VVOKDJNJSA-N	-1	0	278.739	2.559	20	30		CFEDRM
Cc1ccncc1C=NNc1ccccc1C(=O)[O-]	ZINC000794482329	629649558	/nfs/dbraw/zinc/64/95/58/629649558.db2.gz	JIUXNFABOTYONT-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CSCCON=Cc1cccc(Br)c1[O-]	ZINC000794574076	629663307	/nfs/dbraw/zinc/66/33/07/629663307.db2.gz	UFNNETVOAWZPNF-UHFFFAOYSA-N	-1	0	290.182	2.868	20	30		CFEDRM
Cc1cnn(C)c1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000794699052	629676777	/nfs/dbraw/zinc/67/67/77/629676777.db2.gz	CXBVYAFKAZEOKW-XQRVVYSFSA-N	-1	0	276.723	2.984	20	30		CFEDRM
C[C@H]1CSCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000794854609	629695342	/nfs/dbraw/zinc/69/53/42/629695342.db2.gz	JGYSWGJRRNSODD-QMMMGPOBSA-N	-1	0	250.323	2.536	20	30		CFEDRM
O=C(/C=C\c1c(F)ccc(O)c1F)c1ccc(O)cc1[O-]	ZINC000794940983	629707598	/nfs/dbraw/zinc/70/75/98/629707598.db2.gz	HKQZUXUGGNLVPK-HYXAFXHYSA-N	-1	0	292.237	2.978	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000794983940	629716656	/nfs/dbraw/zinc/71/66/56/629716656.db2.gz	GCMKENPOMIIVAE-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2=CCC(C)(C)CC2)CC1	ZINC000835448386	629732090	/nfs/dbraw/zinc/73/20/90/629732090.db2.gz	DWUVCCAMEORMKJ-UHFFFAOYSA-N	-1	0	297.420	2.678	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2occ3c2CCOC3)n1	ZINC000796738364	629958243	/nfs/dbraw/zinc/95/82/43/629958243.db2.gz	JADIVLNGMTVWRB-NSHDSACASA-N	-1	0	288.328	2.607	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000797548187	630078897	/nfs/dbraw/zinc/07/88/97/630078897.db2.gz	BIQXHYQFTFRTFC-ZDUSSCGKSA-N	-1	0	288.347	2.613	20	30		CFEDRM
C#Cc1cccc(NC(=O)N(CCC)[C@@H](CC)C(=O)[O-])c1	ZINC000797737392	630098908	/nfs/dbraw/zinc/09/89/08/630098908.db2.gz	ZNOICWISCQNBSS-AWEZNQCLSA-N	-1	0	288.347	2.775	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CCC2CCCC2)CCC1	ZINC000835949211	630171136	/nfs/dbraw/zinc/17/11/36/630171136.db2.gz	ATTIFXXLFJJXNQ-UHFFFAOYSA-N	-1	0	299.436	2.759	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C	ZINC000798900820	630256402	/nfs/dbraw/zinc/25/64/02/630256402.db2.gz	UMLKPUMLPKRCRG-ZDUSSCGKSA-N	-1	0	295.404	2.543	20	30		CFEDRM
CC(C)CON=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799884283	630351524	/nfs/dbraw/zinc/35/15/24/630351524.db2.gz	ASQUXXCYQIRGBX-UHFFFAOYSA-N	-1	0	274.320	2.732	20	30		CFEDRM
C=CC[C@@H](C(=O)OCc1n[n-]c(C)cc1=O)c1ccccc1	ZINC000802173929	630509930	/nfs/dbraw/zinc/50/99/30/630509930.db2.gz	VJTKLOUPZNZQQN-CQSZACIVSA-N	-1	0	298.342	2.894	20	30		CFEDRM
C=C(C)CCOC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000803525398	630627031	/nfs/dbraw/zinc/62/70/31/630627031.db2.gz	OQWKUACAAQVAIJ-UHFFFAOYSA-N	-1	0	290.294	2.840	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c[nH]nc32)n1	ZINC000041516452	649991467	/nfs/dbraw/zinc/99/14/67/649991467.db2.gz	QJBZUVCYFTZIOE-NSHDSACASA-N	-1	0	282.328	2.818	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(C)(C)C	ZINC000807881422	630918008	/nfs/dbraw/zinc/91/80/08/630918008.db2.gz	JSBGVMDAGDYERI-LBPRGKRZSA-N	-1	0	288.372	2.894	20	30		CFEDRM
C[C@H]1CC(=NNc2[n-]cnc3ncnc2-3)c2ccccc21	ZINC000807964996	630927386	/nfs/dbraw/zinc/92/73/86/630927386.db2.gz	FMCMYTNXLZULLP-VIFPVBQESA-N	-1	0	278.319	2.676	20	30		CFEDRM
CCCC1N=NC(=S)N1N=Cc1cccc(Cl)c1[O-]	ZINC000808009056	630941585	/nfs/dbraw/zinc/94/15/85/630941585.db2.gz	ZPVPLGREMRGRSN-UHFFFAOYSA-N	-1	0	296.783	2.761	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl	ZINC000837043927	630943506	/nfs/dbraw/zinc/94/35/06/630943506.db2.gz	IAIKDZZQPKMWHI-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=CCO[N-]C(=O)COc1cc(C(C)C)ccc1C	ZINC000837045154	630944033	/nfs/dbraw/zinc/94/40/33/630944033.db2.gz	YAJNMCHIXCUHFN-UHFFFAOYSA-N	-1	0	263.337	2.731	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](CC)Sc1ccccc1	ZINC000837047252	630945141	/nfs/dbraw/zinc/94/51/41/630945141.db2.gz	ZVYXTKIEQOVVLG-GFCCVEGCSA-N	-1	0	251.351	2.791	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1	ZINC000837047943	630945977	/nfs/dbraw/zinc/94/59/77/630945977.db2.gz	KZUNTLKJKXEXQN-XQQFMLRXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1	ZINC000837049703	630946234	/nfs/dbraw/zinc/94/62/34/630946234.db2.gz	OHMMPAJHAIHJEW-SNVBAGLBSA-N	-1	0	277.217	2.950	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccco2)ccc1O	ZINC000809158845	631091413	/nfs/dbraw/zinc/09/14/13/631091413.db2.gz	XIFUTHMGPLFXTL-GQCTYLIASA-N	-1	0	258.229	2.580	20	30		CFEDRM
O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250336	649997249	/nfs/dbraw/zinc/99/72/49/649997249.db2.gz	RDDYXNDHCBVFBJ-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
C[C@@H]1CC[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1	ZINC000840708904	631175696	/nfs/dbraw/zinc/17/56/96/631175696.db2.gz	FRSKWHGVMDBDPD-PTCHAJENSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000042313645	649997537	/nfs/dbraw/zinc/99/75/37/649997537.db2.gz	BBABLUUPDTXGFX-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CON=CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000809736719	631273670	/nfs/dbraw/zinc/27/36/70/631273670.db2.gz	GWJKFIRQGNMZLB-UHFFFAOYSA-N	-1	0	297.525	2.923	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccccc1	ZINC000042344094	649997968	/nfs/dbraw/zinc/99/79/68/649997968.db2.gz	GKMLHSJPPNFPAK-UHFFFAOYSA-N	-1	0	269.366	2.706	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2[N-]C(=O)C(F)(F)F	ZINC000841465266	631411034	/nfs/dbraw/zinc/41/10/34/631411034.db2.gz	BZRVRZPQKLAIMG-NSHDSACASA-N	-1	0	268.238	2.614	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NNC(C)=C1CC1(F)F	ZINC000841633957	631438265	/nfs/dbraw/zinc/43/82/65/631438265.db2.gz	YQNQRLQLOYSQHH-VIFPVBQESA-N	-1	0	284.262	2.836	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)CC1	ZINC000810982593	631491281	/nfs/dbraw/zinc/49/12/81/631491281.db2.gz	UDIINEHDYAQRPC-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)sc2C)CC1	ZINC000810984590	631491299	/nfs/dbraw/zinc/49/12/99/631491299.db2.gz	HTZRTAIPNJFRCB-UHFFFAOYSA-N	-1	0	299.417	2.533	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NOC/C=C\Cl)cc1)C(=O)[O-]	ZINC000811668307	631602963	/nfs/dbraw/zinc/60/29/63/631602963.db2.gz	DMJHBZCWOKRUCV-XQUGZSBJSA-N	-1	0	283.711	2.642	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000811669134	631603492	/nfs/dbraw/zinc/60/34/92/631603492.db2.gz	MOVIBQFFWHDFPI-WVDZYLRBSA-N	-1	0	270.672	2.794	20	30		CFEDRM
C[C@@H]1C(=NNC23CC(C2)C3)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000842544157	631659965	/nfs/dbraw/zinc/65/99/65/631659965.db2.gz	PRHQOJPUOVYIOD-VQEBWTGLSA-N	-1	0	264.369	2.641	20	30		CFEDRM
COc1c(O)cccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000812369291	631697032	/nfs/dbraw/zinc/69/70/32/631697032.db2.gz	ITEGOWXVVVEHQA-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
N#CC(=C([O-])C1=CCOCC1)c1nc(C2CC2)cs1	ZINC000842942595	631788066	/nfs/dbraw/zinc/78/80/66/631788066.db2.gz	BZVYVMPMUAUPIN-NSHDSACASA-N	-1	0	274.345	2.543	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1cc(C(F)(F)F)ccn1	ZINC000813216965	631882528	/nfs/dbraw/zinc/88/25/28/631882528.db2.gz	ISCRXLUUABLBDW-LLVKDONJSA-N	-1	0	296.248	2.971	20	30		CFEDRM
CC(=NOCCC1CC1)c1ccc(CC(=O)[O-])cc1	ZINC000814246989	632045707	/nfs/dbraw/zinc/04/57/07/632045707.db2.gz	LPJVBVAIEOAWCG-UHFFFAOYSA-N	-1	0	261.321	2.854	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NOCCC2CC2)cc1	ZINC000814246502	632045741	/nfs/dbraw/zinc/04/57/41/632045741.db2.gz	PIIQMSJLMVMEOG-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2cc(C(=O)[O-])cs2)n1	ZINC000814681230	632106608	/nfs/dbraw/zinc/10/66/08/632106608.db2.gz	CTWVXTHAESOILI-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2nc3c(s2)CCC3)cc1	ZINC000814680587	632106855	/nfs/dbraw/zinc/10/68/55/632106855.db2.gz	YEGHQOXTWIOBTQ-UHFFFAOYSA-N	-1	0	287.344	2.776	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-]	ZINC000814682881	632107901	/nfs/dbraw/zinc/10/79/01/632107901.db2.gz	SVQMWPFPHXFXRM-TVQRCGJNSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1ccccc1NN=C1COc2cc(F)ccc21	ZINC000814767913	632120127	/nfs/dbraw/zinc/12/01/27/632120127.db2.gz	AABWQOQOKWVDSD-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
COc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814777543	632121774	/nfs/dbraw/zinc/12/17/74/632121774.db2.gz	TUTATFQIMTWSRB-MNOVXSKESA-N	-1	0	276.336	2.984	20	30		CFEDRM
CC(CC(F)(F)F)=NNc1cnnc([O-])c1Cl	ZINC000814781880	632122788	/nfs/dbraw/zinc/12/27/88/632122788.db2.gz	DPHXWLCMAZJPGD-UHFFFAOYSA-N	-1	0	268.626	2.576	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc(C#N)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814787335	632123822	/nfs/dbraw/zinc/12/38/22/632123822.db2.gz	YVESSKCNUGYCAC-ZYHUDNBSSA-N	-1	0	271.320	2.847	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cnc2ccccc2n1	ZINC000814830313	632133560	/nfs/dbraw/zinc/13/35/60/632133560.db2.gz	GVOSRRLITOFQGR-QWRGUYRKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1	ZINC000814855807	632139856	/nfs/dbraw/zinc/13/98/56/632139856.db2.gz	UAVKJTXZUDKTHI-XVKPBYJWSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000814867704	632142440	/nfs/dbraw/zinc/14/24/40/632142440.db2.gz	CDVUPRMPCQFINX-PWSUYJOCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](C(=O)[O-])C[C@@H]2C)c1	ZINC000814872909	632144699	/nfs/dbraw/zinc/14/46/99/632144699.db2.gz	DIOCOGFTRDRKBK-JSGCOSHPSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-]	ZINC000814882751	632147370	/nfs/dbraw/zinc/14/73/70/632147370.db2.gz	NRZRBNLXAZVJRJ-IAQYHMDHSA-N	-1	0	285.347	2.525	20	30		CFEDRM
CC(=NOCC(C)C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814884407	632148605	/nfs/dbraw/zinc/14/86/05/632148605.db2.gz	WWBVGFZZFZFYJA-GFCCVEGCSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NO[C@@H]1CCCCO1	ZINC000814888241	632150124	/nfs/dbraw/zinc/15/01/24/632150124.db2.gz	SSZYWUIPRLZPHK-LLVKDONJSA-N	-1	0	255.314	2.551	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CCC2)nc1	ZINC000814890116	632151203	/nfs/dbraw/zinc/15/12/03/632151203.db2.gz	IGCGZBSOWSFBGH-NSHDSACASA-N	-1	0	259.309	2.758	20	30		CFEDRM
CC(=NNCC(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814891849	632151675	/nfs/dbraw/zinc/15/16/75/632151675.db2.gz	BSDVWVQYAXGODV-NEPJUHHUSA-N	-1	0	254.374	2.745	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCCC(C)(C)C	ZINC000814901443	632155647	/nfs/dbraw/zinc/15/56/47/632155647.db2.gz	NKBMFIZYYKRJTR-MNOVXSKESA-N	-1	0	254.374	2.889	20	30		CFEDRM
C[C@@H]1C(N=NCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814904774	632157428	/nfs/dbraw/zinc/15/74/28/632157428.db2.gz	YAQSMLKHYRFHBB-SFYZADRCSA-N	-1	0	280.290	2.651	20	30		CFEDRM
C[C@H]1C(=NNCC(F)(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814904775	632157624	/nfs/dbraw/zinc/15/76/24/632157624.db2.gz	YAQSMLKHYRFHBB-YUMQZZPRSA-N	-1	0	280.290	2.651	20	30		CFEDRM
C[C@@H]1C(N=NCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814904772	632157694	/nfs/dbraw/zinc/15/76/94/632157694.db2.gz	YAQSMLKHYRFHBB-HTQZYQBOSA-N	-1	0	280.290	2.651	20	30		CFEDRM
CC(=NOC1CCOCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814906178	632158256	/nfs/dbraw/zinc/15/82/56/632158256.db2.gz	JXHOWUYDGLLZRJ-LLVKDONJSA-N	-1	0	271.357	2.839	20	30		CFEDRM
CC1(C)CCCC[C@H]1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814917318	632163340	/nfs/dbraw/zinc/16/33/40/632163340.db2.gz	JXXVAMRSFUIKQK-GFCCVEGCSA-N	-1	0	263.341	2.605	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](CC(=O)[O-])[C@H]1C	ZINC000814916174	632163620	/nfs/dbraw/zinc/16/36/20/632163620.db2.gz	CGBODNZUNGFDJU-MNOVXSKESA-N	-1	0	290.367	2.889	20	30		CFEDRM
CSCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814921756	632165041	/nfs/dbraw/zinc/16/50/41/632165041.db2.gz	AMOOPWPNFROCRZ-UWVGGRQHSA-N	-1	0	273.398	2.879	20	30		CFEDRM
CSCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814921758	632166096	/nfs/dbraw/zinc/16/60/96/632166096.db2.gz	AMOOPWPNFROCRZ-ZJUUUORDSA-N	-1	0	273.398	2.879	20	30		CFEDRM
C[C@H]1CC(N=Nc2cccc(F)n2)CC[C@@H]1C(=O)[O-]	ZINC000814927700	632168126	/nfs/dbraw/zinc/16/81/26/632168126.db2.gz	AODKOCRQZLFXGW-WPRPVWTQSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@H]1C(N=Nc2ncccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814927373	632168466	/nfs/dbraw/zinc/16/84/66/632168466.db2.gz	LGNFCDSPJORVNZ-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(=NNc1cccc(F)n1)c1csc(C(=O)[O-])c1	ZINC000814928187	632169281	/nfs/dbraw/zinc/16/92/81/632169281.db2.gz	ZTNPTRMYFFJHDL-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
COCCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814931863	632170272	/nfs/dbraw/zinc/17/02/72/632170272.db2.gz	VBVRKVJPXYUTHS-WDEREUQCSA-N	-1	0	271.357	2.552	20	30		CFEDRM
C=C(C)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814932411	632170368	/nfs/dbraw/zinc/17/03/68/632170368.db2.gz	FAEXJQYVGSNSQP-MNOVXSKESA-N	-1	0	252.358	2.665	20	30		CFEDRM
C[C@@H]1CC(=NNCC2CCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814933121	632170912	/nfs/dbraw/zinc/17/09/12/632170912.db2.gz	DZFRMDYKCZFHHG-MFKMUULPSA-N	-1	0	252.358	2.643	20	30		CFEDRM
C[C@H]1CC(=NNCC2CCCC2)CC[C@H]1C(=O)[O-]	ZINC000814933120	632171172	/nfs/dbraw/zinc/17/11/72/632171172.db2.gz	DZFRMDYKCZFHHG-GXFFZTMASA-N	-1	0	252.358	2.643	20	30		CFEDRM
CC(=NN[C@H]1CCSC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814933614	632171751	/nfs/dbraw/zinc/17/17/51/632171751.db2.gz	UJGMSBUMAAWSNO-WOPDTQHZSA-N	-1	0	284.425	2.594	20	30		CFEDRM
C[C@@H]1C(=NNC[C@H]2CCSC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814935879	632173343	/nfs/dbraw/zinc/17/33/43/632173343.db2.gz	SHXGPQUBVYRLAU-IJLUTSLNSA-N	-1	0	298.452	2.842	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C	ZINC000814937344	632174450	/nfs/dbraw/zinc/17/44/50/632174450.db2.gz	CMVHZAWAIOTZRD-JFGNBEQYSA-N	-1	0	254.374	2.887	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(F)c(F)c2F)[nH]1	ZINC000814946798	632177731	/nfs/dbraw/zinc/17/77/31/632177731.db2.gz	YOTLGITYRPUNPS-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
CC(C)C(CCc1ccc(Cl)cc1)=NNCC(=O)[O-]	ZINC000814958363	632179770	/nfs/dbraw/zinc/17/97/70/632179770.db2.gz	NZTGXJPTXZVKHR-UHFFFAOYSA-N	-1	0	282.771	2.959	20	30		CFEDRM
Cc1cccnc1NN=C1CCCc2c(C#N)c(=O)[nH]cc21	ZINC000844594850	632258719	/nfs/dbraw/zinc/25/87/19/632258719.db2.gz	ZZPUMKUMMQCHKD-UHFFFAOYSA-N	-1	0	293.330	2.515	20	30		CFEDRM
CCOC1CC(CN=Nc2cccc(C(=O)[O-])c2C)C1	ZINC000844622604	632266883	/nfs/dbraw/zinc/26/68/83/632266883.db2.gz	HFKQHGFLSFPWNJ-UHFFFAOYSA-N	-1	0	276.336	2.906	20	30		CFEDRM
CCC(=NNc1cccc(C(=O)[O-])c1C)c1nccn1C	ZINC000844623850	632267775	/nfs/dbraw/zinc/26/77/75/632267775.db2.gz	NLWMOSZQQDQNJS-UHFFFAOYSA-N	-1	0	286.335	2.653	20	30		CFEDRM
CO[C@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844625344	632268446	/nfs/dbraw/zinc/26/84/46/632268446.db2.gz	ZJAJPKNUBKIQKR-SNVBAGLBSA-N	-1	0	250.298	2.516	20	30		CFEDRM
C=CCC(F)(F)C(=O)[N-]C1(C(F)(F)F)CCC1	ZINC000815720199	632314807	/nfs/dbraw/zinc/31/48/07/632314807.db2.gz	XJWBRXULUSISJI-UHFFFAOYSA-N	-1	0	257.202	2.799	20	30		CFEDRM
CC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])cs1	ZINC000815878087	632328178	/nfs/dbraw/zinc/32/81/78/632328178.db2.gz	SBNIYPAVGAYLGC-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc[nH]c1C1CCC1	ZINC000845452774	632438200	/nfs/dbraw/zinc/43/82/00/632438200.db2.gz	ZLDCYVOSVZSESN-CQSZACIVSA-N	-1	0	299.374	2.663	20	30		CFEDRM
CC(C)c1[nH]ccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000845452694	632438378	/nfs/dbraw/zinc/43/83/78/632438378.db2.gz	WIPTZMXEGNYRJZ-CYBMUJFWSA-N	-1	0	287.363	2.519	20	30		CFEDRM
N#C[C@]1(F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816588042	632490569	/nfs/dbraw/zinc/49/05/69/632490569.db2.gz	DULBUEQIFCOOOD-GFCCVEGCSA-N	-1	0	272.682	2.622	20	30		CFEDRM
N#Cc1ccc(CSCC(=O)[N-]Oc2ccccc2)cc1	ZINC000816683517	632510117	/nfs/dbraw/zinc/51/01/17/632510117.db2.gz	JWJRNTUUSZKMJE-UHFFFAOYSA-N	-1	0	298.367	2.902	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@H](C#N)CCc1ccccc1	ZINC000816981695	632545271	/nfs/dbraw/zinc/54/52/71/632545271.db2.gz	XWTVGIPPTLKYNO-ZFWWWQNUSA-N	-1	0	274.364	2.853	20	30		CFEDRM
C[C@H]1CCCc2ncc(C(=O)Nc3cc(C#N)ccc3[O-])n21	ZINC000845888468	632591901	/nfs/dbraw/zinc/59/19/01/632591901.db2.gz	UUDDLCSQDCASKL-JTQLQIEISA-N	-1	0	296.330	2.610	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cc(C)c(C)cc1Cl	ZINC000846146768	632646710	/nfs/dbraw/zinc/64/67/10/632646710.db2.gz	LFJNDIIRRXIFRX-UHFFFAOYSA-N	-1	0	296.754	2.519	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(C2CCC2)cc1	ZINC000846147925	632646750	/nfs/dbraw/zinc/64/67/50/632646750.db2.gz	YDLBZXYMSRGMEY-UHFFFAOYSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C2CCC2)cc1	ZINC000846155183	632648972	/nfs/dbraw/zinc/64/89/72/632648972.db2.gz	VKWZIABUIVEVBY-LLVKDONJSA-N	-1	0	288.347	2.515	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](OC(C)C)c1ccccc1	ZINC000846533561	632723515	/nfs/dbraw/zinc/72/35/15/632723515.db2.gz	BJSBMOTXDZZWAH-AWEZNQCLSA-N	-1	0	263.337	2.777	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCC1	ZINC000846532000	632723551	/nfs/dbraw/zinc/72/35/51/632723551.db2.gz	KPOLXQZBXPDXPD-UHFFFAOYSA-N	-1	0	297.395	2.903	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)c1ccc(OC)cc1	ZINC000846536011	632725596	/nfs/dbraw/zinc/72/55/96/632725596.db2.gz	POGPLVIEIUDODW-CQSZACIVSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCSc2ccccc21	ZINC000846536972	632726732	/nfs/dbraw/zinc/72/67/32/632726732.db2.gz	DYODFFSINWDZMD-LBPRGKRZSA-N	-1	0	263.362	2.890	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)Oc1ccc(F)cc1	ZINC000846538769	632727212	/nfs/dbraw/zinc/72/72/12/632727212.db2.gz	YPNKPQJPJSPEBZ-UHFFFAOYSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccccc1C	ZINC000846542216	632730960	/nfs/dbraw/zinc/73/09/60/632730960.db2.gz	WZSDDGCETYMREM-NSHDSACASA-N	-1	0	251.351	2.709	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccccc1Cl	ZINC000846542774	632732335	/nfs/dbraw/zinc/73/23/35/632732335.db2.gz	BUARELNDAXEDQJ-ZJUUUORDSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1cccc(Cl)c1)N(C)C	ZINC000846545950	632733606	/nfs/dbraw/zinc/73/36/06/632733606.db2.gz	QWNMWJPAYGHWIF-GXFFZTMASA-N	-1	0	282.771	2.565	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](SC)c1ccccc1	ZINC000846545296	632734098	/nfs/dbraw/zinc/73/40/98/632734098.db2.gz	NGCRRONJTHYQPP-PWSUYJOCSA-N	-1	0	251.351	2.713	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(-c2ccsc2)oc1C	ZINC000846551091	632738854	/nfs/dbraw/zinc/73/88/54/632738854.db2.gz	QYKBODNNLXTXOI-SECBINFHSA-N	-1	0	292.360	2.876	20	30		CFEDRM
CC(C)(C)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000847621906	633009969	/nfs/dbraw/zinc/00/99/69/633009969.db2.gz	VLJMCLNPCBDZQS-HNNXBMFYSA-N	-1	0	298.386	2.929	20	30		CFEDRM
CO[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413995	633252811	/nfs/dbraw/zinc/25/28/11/633252811.db2.gz	HCDJAHJABWHYGY-CQSZACIVSA-N	-1	0	276.336	2.671	20	30		CFEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCOCC1	ZINC000848415531	633253344	/nfs/dbraw/zinc/25/33/44/633253344.db2.gz	OAHUMAFYOAHDID-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
O=C(C=Cc1cc2n(n1)CCCC2)c1sccc1[O-]	ZINC000848639917	633306037	/nfs/dbraw/zinc/30/60/37/633306037.db2.gz	GCBRADKKGUTJEF-SNAWJCMRSA-N	-1	0	274.345	2.883	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1cc(F)ccc1[O-]	ZINC000848640262	633306968	/nfs/dbraw/zinc/30/69/68/633306968.db2.gz	KRZZKNOCKOPKEX-FNORWQNLSA-N	-1	0	286.306	2.960	20	30		CFEDRM
C=CCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000852955970	634866299	/nfs/dbraw/zinc/86/62/99/634866299.db2.gz	CJKODXYACAWIFO-CQSZACIVSA-N	-1	0	273.332	2.553	20	30		CFEDRM
C=CCCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000852956978	634866617	/nfs/dbraw/zinc/86/66/17/634866617.db2.gz	LRMORTZNWTWNSH-LBPRGKRZSA-N	-1	0	255.358	2.596	20	30		CFEDRM
CCCCCCCCOCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000108012444	633414114	/nfs/dbraw/zinc/41/41/14/633414114.db2.gz	XTTGKEPVSHUXSC-UHFFFAOYSA-N	-1	0	299.411	2.687	20	30		CFEDRM
O=C(C=Cc1ccnn1CC1CC1)c1sccc1[O-]	ZINC000849250012	633590892	/nfs/dbraw/zinc/59/08/92/633590892.db2.gz	OUYKJXXRLRENPY-ARJAWSKDSA-N	-1	0	274.345	2.956	20	30		CFEDRM
CC#Cc1cccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)c1	ZINC000849475507	633638869	/nfs/dbraw/zinc/63/88/69/633638869.db2.gz	CAIJVUJTHKTDKD-LBPRGKRZSA-N	-1	0	268.316	2.957	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850751328	634079507	/nfs/dbraw/zinc/07/95/07/634079507.db2.gz	AINAZYGHQFHBNB-JTQLQIEISA-N	-1	0	296.367	2.906	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(C)C)c1	ZINC000850762613	634081435	/nfs/dbraw/zinc/08/14/35/634081435.db2.gz	ZUXFBSDFWOBGIP-CQSZACIVSA-N	-1	0	272.348	2.657	20	30		CFEDRM
C#CC1CCC(N=Nc2ccccc2C(=O)[O-])CC1	ZINC000853281315	634958257	/nfs/dbraw/zinc/95/82/57/634958257.db2.gz	YNLAGUDVLNGQDC-UHFFFAOYSA-N	-1	0	256.305	2.976	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C[C@@H]1C[C@H]2C[C@H]2C1	ZINC000853284260	634958439	/nfs/dbraw/zinc/95/84/39/634958439.db2.gz	VNILBIPXUUMRDB-JGPRNRPPSA-N	-1	0	285.372	2.565	20	30		CFEDRM
COCCON=C(C)c1cc(C(=O)[O-])ccc1OC(C)C	ZINC000853315334	634966496	/nfs/dbraw/zinc/96/64/96/634966496.db2.gz	SJYAVBXWIVLUCQ-UHFFFAOYSA-N	-1	0	295.335	2.559	20	30		CFEDRM
CC(CC(C)(C)C#N)N=Nc1ccc(C(=O)[O-])cn1	ZINC000853325661	634969374	/nfs/dbraw/zinc/96/93/74/634969374.db2.gz	KTTFBJCVMXIQGL-UHFFFAOYSA-N	-1	0	260.297	2.507	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cn1)C1CCCCC1	ZINC000853325960	634969843	/nfs/dbraw/zinc/96/98/43/634969843.db2.gz	PIMOOCCEDWPVGD-ZDUSSCGKSA-N	-1	0	291.351	2.773	20	30		CFEDRM
COc1cc(C=NN2CCCC[C@@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000853379335	634987673	/nfs/dbraw/zinc/98/76/73/634987673.db2.gz	NTYAKMNBYVUCGK-JTQLQIEISA-N	-1	0	293.323	2.517	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NN1CCCC[C@H]1C	ZINC000853382032	634988860	/nfs/dbraw/zinc/98/88/60/634988860.db2.gz	QUEXIWMFLLFMPU-UTUOFQBUSA-N	-1	0	252.358	2.738	20	30		CFEDRM
CC(C)C#CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854475939	635312579	/nfs/dbraw/zinc/31/25/79/635312579.db2.gz	YJACGSWVLWVJDT-UHFFFAOYSA-N	-1	0	286.158	2.975	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)Oc1ccccc1Cl	ZINC000856029936	635705518	/nfs/dbraw/zinc/70/55/18/635705518.db2.gz	JEUTYNFXJFEUPZ-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@]1(C)CCCc2ccccc21	ZINC000856031607	635706981	/nfs/dbraw/zinc/70/69/81/635706981.db2.gz	WXQWHXBRWKBVPH-INIZCTEOSA-N	-1	0	259.349	2.905	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)[C@@H]1OCCc2sccc21	ZINC000856035907	635710127	/nfs/dbraw/zinc/71/01/27/635710127.db2.gz	NEFHVCGVRSNUSC-MFKMUULPSA-N	-1	0	281.377	2.622	20	30		CFEDRM
CCCCCCCC(=O)NCC1(CC(=O)[O-])CCOCC1	ZINC000856984443	635900745	/nfs/dbraw/zinc/90/07/45/635900745.db2.gz	LHPRMDYWHVSSSC-UHFFFAOYSA-N	-1	0	299.411	2.735	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000116582406	636477672	/nfs/dbraw/zinc/47/76/72/636477672.db2.gz	CVCCQNMJWHENKO-NWDGAFQWSA-N	-1	0	255.358	2.716	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000048418126	650265433	/nfs/dbraw/zinc/26/54/33/650265433.db2.gz	YFBPWISTIPPLAA-SSDOTTSWSA-N	-1	0	293.797	2.737	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518374	650269802	/nfs/dbraw/zinc/26/98/02/650269802.db2.gz	WUTFPRUWBCCNAH-AAXQSMANSA-N	-1	0	285.390	2.695	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519789	650270104	/nfs/dbraw/zinc/27/01/04/650270104.db2.gz	CXOGKCYZOIHCSA-UHFFFAOYSA-N	-1	0	275.276	2.576	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1C)C1CC1	ZINC000048426991	650265942	/nfs/dbraw/zinc/26/59/42/650265942.db2.gz	IELJUXSMMALNEK-PKNBQFBNSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C(CCC1CCCCC1)[N-]S(=O)(=O)N1CCCC1	ZINC000048869492	650281248	/nfs/dbraw/zinc/28/12/48/650281248.db2.gz	VFORCXLCFIFFRL-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C)c1	ZINC000049135129	650289109	/nfs/dbraw/zinc/28/91/09/650289109.db2.gz	XRIGZSUTGLMBEC-GFCCVEGCSA-N	-1	0	299.392	2.701	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C(F)F)o1	ZINC000860463837	636891616	/nfs/dbraw/zinc/89/16/16/636891616.db2.gz	ICXORJZJASKTHT-SECBINFHSA-N	-1	0	298.289	2.846	20	30		CFEDRM
CC(C)O[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000861880370	637249283	/nfs/dbraw/zinc/24/92/83/637249283.db2.gz	ACAPUOAAYGTYCV-UHFFFAOYSA-N	-1	0	272.348	2.826	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CCC)c1cccc(Cl)c1	ZINC000862184474	637285626	/nfs/dbraw/zinc/28/56/26/637285626.db2.gz	RGIHUIIWZXPHCZ-ZDUSSCGKSA-N	-1	0	265.740	2.905	20	30		CFEDRM
CCCCCCCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000862356957	637330725	/nfs/dbraw/zinc/33/07/25/637330725.db2.gz	JZXCWQMEACYGTB-UHFFFAOYSA-N	-1	0	296.333	2.530	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1cc(C)ccc1C	ZINC000863115030	637561647	/nfs/dbraw/zinc/56/16/47/637561647.db2.gz	XUWUNLYBMRCKTB-AWEZNQCLSA-N	-1	0	262.353	2.870	20	30		CFEDRM
CC1(O)CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000863117695	637562802	/nfs/dbraw/zinc/56/28/02/637562802.db2.gz	ASISBNCPBABBTJ-UHFFFAOYSA-N	-1	0	280.299	2.617	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1	ZINC000864157376	637895678	/nfs/dbraw/zinc/89/56/78/637895678.db2.gz	YDNHLNXUSMJGGJ-NNNHXZLVSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000864184145	637906607	/nfs/dbraw/zinc/90/66/07/637906607.db2.gz	OCGUMVJATGXFHA-JLLWLGSASA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000864183351	637906613	/nfs/dbraw/zinc/90/66/13/637906613.db2.gz	IXTLXLQLSNUSJD-GXSJLCMTSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCc1cccc(C)c1)C(=O)[O-]	ZINC000864183486	637906619	/nfs/dbraw/zinc/90/66/19/637906619.db2.gz	FUUZJGOJTJTJEL-CYBMUJFWSA-N	-1	0	295.766	2.640	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000864183522	637906734	/nfs/dbraw/zinc/90/67/34/637906734.db2.gz	GQJZIFZBOJIOCC-GDPRMGEGSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000864185009	637907305	/nfs/dbraw/zinc/90/73/05/637907305.db2.gz	UXTAZBNXDJRREW-PCGIRMHASA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H](C)CCC)C(=O)[O-]	ZINC000864184958	637907357	/nfs/dbraw/zinc/90/73/57/637907357.db2.gz	UMHXXBTYBHPOGY-WPRPVWTQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000864185798	637907432	/nfs/dbraw/zinc/90/74/32/637907432.db2.gz	CHEWXBPDNVQXRA-WDEREUQCSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000864185797	637907651	/nfs/dbraw/zinc/90/76/51/637907651.db2.gz	CHEWXBPDNVQXRA-QWRGUYRKSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC1CCCCC1)C(=O)[O-]	ZINC000864184693	637907809	/nfs/dbraw/zinc/90/78/09/637907809.db2.gz	PUUXYMAMYCVANY-LLVKDONJSA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000864186595	637908324	/nfs/dbraw/zinc/90/83/24/637908324.db2.gz	SPWWLFJTNXAOLI-CYBMUJFWSA-N	-1	0	293.750	2.890	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000864186703	637908568	/nfs/dbraw/zinc/90/85/68/637908568.db2.gz	VOUBFSSSRQYACU-AXFHLTTASA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)c1ccc(F)cc1)C(=O)[O-]	ZINC000864187830	637909199	/nfs/dbraw/zinc/90/91/99/637909199.db2.gz	PGVAWHKXGYMJAR-RBJHHQRMSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000864188913	637909418	/nfs/dbraw/zinc/90/94/18/637909418.db2.gz	XNMOYVZKDWQVMQ-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
Cc1cnccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000189355215	650376474	/nfs/dbraw/zinc/37/64/74/650376474.db2.gz	KTUMSRMEPWWDKN-CXUHLZMHSA-N	-1	0	271.276	2.623	20	30		CFEDRM
CCO[C@@]1(C)C[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864346056	637946779	/nfs/dbraw/zinc/94/67/79/637946779.db2.gz	MYDFTFPQMJERMT-FBLGIBFRSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C=C(C)C[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC000864529136	638013118	/nfs/dbraw/zinc/01/31/18/638013118.db2.gz	CWIUZCVTYBTLRO-JTQLQIEISA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=C(C)C[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000864529734	638013231	/nfs/dbraw/zinc/01/32/31/638013231.db2.gz	LQQLRCOGRFVPPH-AWEZNQCLSA-N	-1	0	286.331	2.851	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000864585152	638033738	/nfs/dbraw/zinc/03/37/38/638033738.db2.gz	RVMBNVDTTJBQHM-SECBINFHSA-N	-1	0	288.756	2.774	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000076766399	650402225	/nfs/dbraw/zinc/40/22/25/650402225.db2.gz	QFVCAQQSEMLOCA-SNVBAGLBSA-N	-1	0	280.349	2.640	20	30		CFEDRM
Cc1scc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000865214313	638225262	/nfs/dbraw/zinc/22/52/62/638225262.db2.gz	QTUMQANMDDJQLN-WSNITJDQSA-N	-1	0	290.340	2.593	20	30		CFEDRM
CCc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])on1	ZINC000866272606	638786384	/nfs/dbraw/zinc/78/63/84/638786384.db2.gz	XVCHDOQQAFRQSJ-JTQLQIEISA-N	-1	0	271.320	2.665	20	30		CFEDRM
CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1[O-]	ZINC000866366989	638805856	/nfs/dbraw/zinc/80/58/56/638805856.db2.gz	DYJIFOMDQQDWCO-VXGBXAGGSA-N	-1	0	284.363	2.892	20	30		CFEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C	ZINC000077882310	650458948	/nfs/dbraw/zinc/45/89/48/650458948.db2.gz	VERWIGKMSRCGCC-SCVCMEIPSA-N	-1	0	267.350	2.690	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)o1	ZINC000077942212	650464866	/nfs/dbraw/zinc/46/48/66/650464866.db2.gz	TXJHCMVPJCNVFG-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C(\CC)c1ccc(C)cc1	ZINC000191271424	650487031	/nfs/dbraw/zinc/48/70/31/650487031.db2.gz	SPAPRTVUZXLTHN-SDNWHVSQSA-N	-1	0	287.359	2.888	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)CC(F)(F)C(F)(F)F)c1	ZINC000870690990	639773339	/nfs/dbraw/zinc/77/33/39/639773339.db2.gz	IYLBTVMUACGPBA-UHFFFAOYSA-N	-1	0	294.179	2.556	20	30		CFEDRM
CC1(C)C[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C(C)(C)O1	ZINC000870691313	639773535	/nfs/dbraw/zinc/77/35/35/639773535.db2.gz	NOMUORFCYCFMBZ-ZDUSSCGKSA-N	-1	0	288.347	2.562	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CCCCC2(F)F)c1	ZINC000870690608	639773600	/nfs/dbraw/zinc/77/36/00/639773600.db2.gz	ROHJGLQMRPYZGW-GFCCVEGCSA-N	-1	0	280.274	2.794	20	30		CFEDRM
CCCC[C@@](C)(F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690509	639773744	/nfs/dbraw/zinc/77/37/44/639773744.db2.gz	QDAVFFHRZQYANR-CQSZACIVSA-N	-1	0	264.300	2.887	20	30		CFEDRM
CCOCCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870691666	639774640	/nfs/dbraw/zinc/77/46/40/639774640.db2.gz	NXPKZGMBUAGCJY-UHFFFAOYSA-N	-1	0	288.347	2.565	20	30		CFEDRM
C[C@H]1CCC[C@@H](OCC(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692774	639774817	/nfs/dbraw/zinc/77/48/17/639774817.db2.gz	NPUJXZAMQOPUDS-GXTWGEPZSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000192913199	650608596	/nfs/dbraw/zinc/60/85/96/650608596.db2.gz	FUUGHIFZRFZQKX-OLZOCXBDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1csc2ccccc21	ZINC000193355390	650646172	/nfs/dbraw/zinc/64/61/72/650646172.db2.gz	WSVXFFSUESIUEB-LBPRGKRZSA-N	-1	0	298.367	2.846	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)s1	ZINC000193378520	650648627	/nfs/dbraw/zinc/64/86/27/650648627.db2.gz	IPLHPWFZZKEGNE-LBPRGKRZSA-N	-1	0	292.404	2.939	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3cc(C#N)cc(Cl)n3)c(=O)c2C1	ZINC000871954520	641527301	/nfs/dbraw/zinc/52/73/01/641527301.db2.gz	KGOTWTQPFFJXGT-WCBMZHEXSA-N	-1	0	288.738	2.745	20	30		CFEDRM
Cc1[n-]n(-c2nc(F)ccc2Cl)c(=O)c1CCC#N	ZINC000871958058	641531348	/nfs/dbraw/zinc/53/13/48/641531348.db2.gz	TUJAAMGQUBWSIS-QMMMGPOBSA-N	-1	0	280.690	2.517	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@H]2F)cc1F	ZINC000872380024	641783101	/nfs/dbraw/zinc/78/31/01/641783101.db2.gz	SOPAOYDCHNMVIC-SECBINFHSA-N	-1	0	254.236	2.814	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNC[C@H]2CCCC2(F)F)ccc1[O-]	ZINC000872410589	641799003	/nfs/dbraw/zinc/79/90/03/641799003.db2.gz	OMACZNFVQMJKHK-SNVBAGLBSA-N	-1	0	299.277	2.659	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])CCCC1	ZINC000872731958	641915327	/nfs/dbraw/zinc/91/53/27/641915327.db2.gz	LUWUQNGYQFAWFI-QWHCGFSZSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C[C@@H](C)CC(=O)[O-]	ZINC000872751311	641920937	/nfs/dbraw/zinc/92/09/37/641920937.db2.gz	AYMMZAQHZCTWCD-LLVKDONJSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C#CC[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccccc1	ZINC000872853672	641951334	/nfs/dbraw/zinc/95/13/34/641951334.db2.gz	UQUUVIIAWBCJRY-MRXNPFEDSA-N	-1	0	297.354	2.822	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872853904	641951680	/nfs/dbraw/zinc/95/16/80/641951680.db2.gz	XETUSXRQTOHAEU-UHFFFAOYSA-N	-1	0	284.315	2.760	20	30		CFEDRM
C#CC[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccccc1	ZINC000872851906	641951768	/nfs/dbraw/zinc/95/17/68/641951768.db2.gz	IHRMDNWRCAGVLG-CQSZACIVSA-N	-1	0	287.359	2.758	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000872882912	641955882	/nfs/dbraw/zinc/95/58/82/641955882.db2.gz	ZYWRKKUVFZBZAJ-GHMZBOCLSA-N	-1	0	275.414	2.668	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)CCCC(=O)[O-]	ZINC000872990469	641979341	/nfs/dbraw/zinc/97/93/41/641979341.db2.gz	KSQFSJKWUUMCRG-UHFFFAOYSA-N	-1	0	275.348	2.846	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(N[C@H]2C[C@H](C(=O)[O-])C2)c1	ZINC000873076111	642006581	/nfs/dbraw/zinc/00/65/81/642006581.db2.gz	VQVZSYVGNZXQIU-KYZUINATSA-N	-1	0	284.237	2.852	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874412532	642381357	/nfs/dbraw/zinc/38/13/57/642381357.db2.gz	YNDGKTXYDINEFA-UHFFFAOYSA-N	-1	0	290.363	2.929	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]Oc2ccccc2F)CC12CCCC2	ZINC000874911323	642550432	/nfs/dbraw/zinc/55/04/32/642550432.db2.gz	RFQVBYROCBLPJI-OAHLLOKOSA-N	-1	0	274.295	2.710	20	30		CFEDRM
N#CC1(C(=O)[N-]Oc2ccccc2F)CCCCC1	ZINC000874912962	642551197	/nfs/dbraw/zinc/55/11/97/642551197.db2.gz	YFCMJRHENXECFV-UHFFFAOYSA-N	-1	0	262.284	2.710	20	30		CFEDRM
Cc1cccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c1C#N	ZINC000874970168	642566633	/nfs/dbraw/zinc/56/66/33/642566633.db2.gz	ZHXKVMWCTWCCRI-UHFFFAOYSA-N	-1	0	295.294	2.810	20	30		CFEDRM
N#Cc1c(OCC(=O)[O-])cccc1-c1cccc(C=O)c1	ZINC000874971917	642568566	/nfs/dbraw/zinc/56/85/66/642568566.db2.gz	DFWIPSPJWROTTM-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875483237	642628463	/nfs/dbraw/zinc/62/84/63/642628463.db2.gz	UEZUNGQNFVWHBK-GFCCVEGCSA-N	-1	0	288.244	2.865	20	30		CFEDRM
CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000084693348	650777476	/nfs/dbraw/zinc/77/74/76/650777476.db2.gz	QYAYYLUTXKLWTP-UHFFFAOYSA-N	-1	0	290.429	2.746	20	30		CFEDRM
CCCn1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2C)nn1	ZINC000876498136	642892911	/nfs/dbraw/zinc/89/29/11/642892911.db2.gz	PQWXUQJKDUHOLX-SREVYHEPSA-N	-1	0	299.330	2.591	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086055127	650794933	/nfs/dbraw/zinc/79/49/33/650794933.db2.gz	SLJWYOXCUIEZPV-UHFFFAOYSA-N	-1	0	267.350	2.572	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(F)c(F)c2)c1	ZINC000088401211	650812188	/nfs/dbraw/zinc/81/21/88/650812188.db2.gz	XOIRNARDAXAAGS-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1	ZINC000091127368	650892706	/nfs/dbraw/zinc/89/27/06/650892706.db2.gz	OPZWBKMKZJWHTO-GWCFXTLKSA-N	-1	0	297.376	2.775	20	30		CFEDRM
CCn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1C1CC1	ZINC000879065456	644130421	/nfs/dbraw/zinc/13/04/21/644130421.db2.gz	GGIOUZIAVDGBLY-UHFFFAOYSA-N	-1	0	296.330	2.610	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc2ccccc21	ZINC000092463702	650920194	/nfs/dbraw/zinc/92/01/94/650920194.db2.gz	RVVSWASSAVFHMG-UHFFFAOYSA-N	-1	0	284.315	2.944	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(C(C)(C)C)n1	ZINC000092465658	650920617	/nfs/dbraw/zinc/92/06/17/650920617.db2.gz	ZAMMEBBUJAQNSY-UHFFFAOYSA-N	-1	0	268.382	2.513	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(F)cc1F	ZINC000880549188	644760762	/nfs/dbraw/zinc/76/07/62/644760762.db2.gz	PTDRVDCSXZBBJT-SECBINFHSA-N	-1	0	269.291	2.865	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000102714552	644811304	/nfs/dbraw/zinc/81/13/04/644811304.db2.gz	QMFWWRKULSMUSH-RQJABVFESA-N	-1	0	279.380	2.596	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cccnc2)CC2(CCC2)C1	ZINC000880725328	644816901	/nfs/dbraw/zinc/81/69/01/644816901.db2.gz	WIDCRPCWFNQIKG-UHFFFAOYSA-N	-1	0	286.375	2.907	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1	ZINC000129508506	645240658	/nfs/dbraw/zinc/24/06/58/645240658.db2.gz	JUJUPANVDYTCQM-GQCTYLIASA-N	-1	0	270.244	2.592	20	30		CFEDRM
C#CC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1	ZINC000882533862	645357732	/nfs/dbraw/zinc/35/77/32/645357732.db2.gz	PAQQGKFCYXOIOK-UHFFFAOYSA-N	-1	0	281.714	2.861	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1	ZINC000130871376	645585443	/nfs/dbraw/zinc/58/54/43/645585443.db2.gz	VQJSFMAPHRRZPJ-GQCTYLIASA-N	-1	0	259.217	2.790	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c(C3CCCC3)cc2=O)c1	ZINC000132855624	645974649	/nfs/dbraw/zinc/97/46/49/645974649.db2.gz	JAHJPAFSXRUAPP-UHFFFAOYSA-N	-1	0	253.305	2.841	20	30		CFEDRM
C=CCC1(CN=Nc2nnc(C)c(=O)[n-]2)CCCCC1	ZINC000884387978	646335245	/nfs/dbraw/zinc/33/52/45/646335245.db2.gz	KGTHOMLLNLRJTH-UHFFFAOYSA-N	-1	0	275.356	2.810	20	30		CFEDRM
CC[C@@H](NN=Cc1c(C)cc(C)c(COC)c1C)C(=O)[O-]	ZINC000884470925	646375502	/nfs/dbraw/zinc/37/55/02/646375502.db2.gz	GDEAYEZVFCDIIM-OAHLLOKOSA-N	-1	0	292.379	2.545	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136515734	646844419	/nfs/dbraw/zinc/84/44/19/646844419.db2.gz	UXPXLAPTFBKFQX-GQCTYLIASA-N	-1	0	288.259	2.801	20	30		CFEDRM
C#CCC1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCC1	ZINC000886796219	647140269	/nfs/dbraw/zinc/14/02/69/647140269.db2.gz	VSYLHIMUYHJMPA-UHFFFAOYSA-N	-1	0	281.714	2.861	20	30		CFEDRM
N#Cc1ccc2nc(N3CCCC[C@@H]3CC(=O)[O-])ccc2c1	ZINC000886913725	647172898	/nfs/dbraw/zinc/17/28/98/647172898.db2.gz	IXIYDUCYDHMFKV-CQSZACIVSA-N	-1	0	295.342	2.940	20	30		CFEDRM
C=C1CCC(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1	ZINC000887326646	647272066	/nfs/dbraw/zinc/27/20/66/647272066.db2.gz	IWOWCGSPGNLTFI-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
N#CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(F)(F)F	ZINC000928815670	648959639	/nfs/dbraw/zinc/95/96/39/648959639.db2.gz	SQUYFSPBRONNCA-VIFPVBQESA-N	-1	0	292.644	2.620	20	30		CFEDRM
N#CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F	ZINC000928816344	648959709	/nfs/dbraw/zinc/95/97/09/648959709.db2.gz	XWIBLZYWLWEROK-VIFPVBQESA-N	-1	0	292.207	2.739	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000929011408	648973749	/nfs/dbraw/zinc/97/37/49/648973749.db2.gz	MRBOKFSXLJBYJI-DOMZBBRYSA-N	-1	0	282.384	2.606	20	30		CFEDRM
COc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1O	ZINC000254516277	651092136	/nfs/dbraw/zinc/09/21/36/651092136.db2.gz	CUIRHQFSLHVILU-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc(O)cc2)cc1	ZINC000254849490	651096557	/nfs/dbraw/zinc/09/65/57/651096557.db2.gz	UKHLQPNUTVHWTM-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1	ZINC000013357534	651170892	/nfs/dbraw/zinc/17/08/92/651170892.db2.gz	WSZIVEWQCAGQLC-RMKNXTFCSA-N	-1	0	298.294	2.752	20	30		CFEDRM
COc1cnc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001243512320	782247650	/nfs/dbraw/zinc/24/76/50/782247650.db2.gz	QXJALLCHNWHWBI-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#CCOc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)nc1	ZINC001243515188	782249727	/nfs/dbraw/zinc/24/97/27/782249727.db2.gz	SWZWAZFJQMFBLM-UHFFFAOYSA-N	-1	0	290.225	2.627	20	30		CFEDRM
COC(=O)c1cc(C#N)cnc1-c1ccc(Cl)c([O-])c1	ZINC001243577916	782288372	/nfs/dbraw/zinc/28/83/72/782288372.db2.gz	DAOOSCHGBSCANO-UHFFFAOYSA-N	-1	0	288.690	2.766	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229238691	776762441	/nfs/dbraw/zinc/76/24/41/776762441.db2.gz	IDDCOADGKANXKY-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
CCC#C[C@H](C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602703	777857413	/nfs/dbraw/zinc/85/74/13/777857413.db2.gz	YYDISNIBJUNGBS-LURJTMIESA-N	-1	0	261.108	2.670	20	30		CFEDRM
C#Cc1cccnc1Nc1ccc(OC)c(C(=O)[O-])c1	ZINC001209896025	770157403	/nfs/dbraw/zinc/15/74/03/770157403.db2.gz	CBEMPCDCUSSQSC-UHFFFAOYSA-N	-1	0	268.272	2.513	20	30		CFEDRM
Cc1cc([N-]c2nnc(-c3ccco3)o2)cnc1C#N	ZINC001210201479	770231344	/nfs/dbraw/zinc/23/13/44/770231344.db2.gz	TUDBVCCEGAWXHX-UHFFFAOYSA-N	-1	0	267.248	2.648	20	30		CFEDRM
Cc1cccnc1/C=C\C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000588455828	770740453	/nfs/dbraw/zinc/74/04/53/770740453.db2.gz	NHTIJSWKDLCDNL-ALCCZGGFSA-N	-1	0	279.299	2.619	20	30		CFEDRM
Cc1cc(Nc2cccc(C#N)n2)cc(C(=O)[O-])c1	ZINC001211537612	770856152	/nfs/dbraw/zinc/85/61/52/770856152.db2.gz	RYEWREGJVZUMRU-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C=C1CCC(CNC(=O)c2cc(C(=O)[O-])oc2C)CC1	ZINC000724441264	770883999	/nfs/dbraw/zinc/88/39/99/770883999.db2.gz	WGWJREXGLAYFTJ-UHFFFAOYSA-N	-1	0	277.320	2.762	20	30		CFEDRM
C=C1CCC(CNC(=O)c2ccc(C(=O)[O-])s2)CC1	ZINC000724480908	770894562	/nfs/dbraw/zinc/89/45/62/770894562.db2.gz	IGJFAZCNEIBYLD-UHFFFAOYSA-N	-1	0	279.361	2.923	20	30		CFEDRM
Cc1ccnc(C#N)c1Nc1cc(CC(=O)[O-])ccc1F	ZINC001216681525	773210625	/nfs/dbraw/zinc/21/06/25/773210625.db2.gz	XKPGDALLRBXDJL-UHFFFAOYSA-N	-1	0	285.278	2.772	20	30		CFEDRM
CCCCCCCC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000383355100	773219392	/nfs/dbraw/zinc/21/93/92/773219392.db2.gz	MLBQMYIQRRJMBB-NSHDSACASA-N	-1	0	255.358	2.811	20	30		CFEDRM
CCN(C)c1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cn1	ZINC000588579633	775136332	/nfs/dbraw/zinc/13/63/32/775136332.db2.gz	WYYIGZSSHPXURZ-YWEYNIOJSA-N	-1	0	298.342	2.845	20	30		CFEDRM
Cc1ccc(Nc2cc(C#N)c(C#N)cc2N)cc1C(=O)[O-]	ZINC001211606443	775203443	/nfs/dbraw/zinc/20/34/43/775203443.db2.gz	PBOCCRQODWRIAQ-UHFFFAOYSA-N	-1	0	292.298	2.762	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](OCCCS(=O)(=O)[O-])C1	ZINC001224894846	775302692	/nfs/dbraw/zinc/30/26/92/775302692.db2.gz	YEVNGNKIDWRMIT-OLZOCXBDSA-N	-1	0	274.382	2.582	20	30		CFEDRM
C[C@H](OCCCC[P@@](=O)([O-])O)c1ccccc1C#N	ZINC001225019550	775338883	/nfs/dbraw/zinc/33/88/83/775338883.db2.gz	YIDHWQVHGMLBCG-NSHDSACASA-N	-1	0	283.264	2.594	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516465	775488716	/nfs/dbraw/zinc/48/87/16/775488716.db2.gz	CPMFEOCPHVCBSK-NSHDSACASA-N	-1	0	298.436	2.581	20	30		CFEDRM
C=CC[C@H](Oc1ccc(S(=O)(=O)[O-])cc1)C(C)C	ZINC001225517237	775489195	/nfs/dbraw/zinc/48/91/95/775489195.db2.gz	HPQWMKNUQIIGHP-ZDUSSCGKSA-N	-1	0	270.350	2.913	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ncc2F)O1	ZINC001225881702	775621987	/nfs/dbraw/zinc/62/19/87/775621987.db2.gz	LMPDXEPRHNNIQQ-HZMBPMFUSA-N	-1	0	282.315	2.602	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ncc2F)O1	ZINC001225881709	775622729	/nfs/dbraw/zinc/62/27/29/775622729.db2.gz	LMPDXEPRHNNIQQ-YGRLFVJLSA-N	-1	0	282.315	2.602	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1F	ZINC001225884934	775624161	/nfs/dbraw/zinc/62/41/61/775624161.db2.gz	JALZXFXYVTUGMX-LBPRGKRZSA-N	-1	0	272.279	2.530	20	30		CFEDRM
C=C(C)C[C@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=C)C	ZINC001225901868	775627898	/nfs/dbraw/zinc/62/78/98/775627898.db2.gz	WQAVIFMPOILDNW-LBPRGKRZSA-N	-1	0	292.335	2.649	20	30		CFEDRM
Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)c1	ZINC001226008473	775666142	/nfs/dbraw/zinc/66/61/42/775666142.db2.gz	HNHSUDQFIPBDJS-QMMMGPOBSA-N	-1	0	291.257	2.781	20	30		CFEDRM
C[C@H]1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009122	775666601	/nfs/dbraw/zinc/66/66/01/775666601.db2.gz	SPGUGKXIVBZEEX-WPRPVWTQSA-N	-1	0	250.273	2.755	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H](C#N)c1ccccc1F	ZINC001226015124	775669202	/nfs/dbraw/zinc/66/92/02/775669202.db2.gz	GANVYHGKETXBAJ-LBPRGKRZSA-N	-1	0	287.225	2.581	20	30		CFEDRM
CC[C@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063960	775685630	/nfs/dbraw/zinc/68/56/30/775685630.db2.gz	NGJMWWCXYUWFMY-LURJTMIESA-N	-1	0	260.215	2.855	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cnc3ccccn32)c1C#N	ZINC001226221161	775741210	/nfs/dbraw/zinc/74/12/10/775741210.db2.gz	HUCIHMAWXPAEIZ-LLVKDONJSA-N	-1	0	294.314	2.755	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1C#N	ZINC001226222689	775741602	/nfs/dbraw/zinc/74/16/02/775741602.db2.gz	GQALJBYKJIGDKG-WLLOZRIZSA-N	-1	0	258.321	2.781	20	30		CFEDRM
Cc1cc(=O)[n-]c(OCc2cncc(OC(C)C)c2)c1C#N	ZINC001226223464	775742967	/nfs/dbraw/zinc/74/29/67/775742967.db2.gz	PYDUAMQEOZAJMU-UHFFFAOYSA-N	-1	0	299.330	2.729	20	30		CFEDRM
O/N=C/c1ccnc(O[C@@H]2CCCc3ccccc32)n1	ZINC001226254248	775755950	/nfs/dbraw/zinc/75/59/50/775755950.db2.gz	SGIYICUDVQZCCH-NGWPFTMJSA-N	-1	0	269.304	2.741	20	30		CFEDRM
C=C[C@@H](CCCCCC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226336949	775783821	/nfs/dbraw/zinc/78/38/21/775783821.db2.gz	TWPLGWBLWAMRJP-JTQLQIEISA-N	-1	0	281.312	2.994	20	30		CFEDRM
CN(C([O-])=Nc1nc2ccsc2s1)[C@@H]1CCNC1=O	ZINC000328890886	775819645	/nfs/dbraw/zinc/81/96/45/775819645.db2.gz	SBRCPJBAODNGLM-SSDOTTSWSA-N	-1	0	296.377	2.564	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226553602	775871360	/nfs/dbraw/zinc/87/13/60/775871360.db2.gz	OYSAUAJMSYTWKD-QMMMGPOBSA-N	-1	0	277.711	2.565	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556389	775872818	/nfs/dbraw/zinc/87/28/18/775872818.db2.gz	MJVUBGGVPXBFGU-QMMMGPOBSA-N	-1	0	277.711	2.565	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226722130	775938422	/nfs/dbraw/zinc/93/84/22/775938422.db2.gz	PBZCVSHTYLFNET-MRVPVSSYSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C[C@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1C#N	ZINC001226786952	775964906	/nfs/dbraw/zinc/96/49/06/775964906.db2.gz	ULQQXWXALKFZFX-QMMMGPOBSA-N	-1	0	297.343	2.653	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071071	776083843	/nfs/dbraw/zinc/08/38/43/776083843.db2.gz	VKSCQNAOXSWCKD-OUAUKWLOSA-N	-1	0	288.351	2.818	20	30		CFEDRM
Cc1[n-]c(=O)nc(OC2CCC(C#N)CC2)c1Cl	ZINC001227110583	776101704	/nfs/dbraw/zinc/10/17/04/776101704.db2.gz	AXPXBISBOWCKGQ-UHFFFAOYSA-N	-1	0	267.716	2.605	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611738	776242218	/nfs/dbraw/zinc/24/22/18/776242218.db2.gz	RTTLKWSRCKIVMA-QMMMGPOBSA-N	-1	0	265.338	2.916	20	30		CFEDRM
C#C[C@@H](Oc1nc(=O)[n-]c2c1COC2)[C@@H](CC)CCCC	ZINC001227690666	776258798	/nfs/dbraw/zinc/25/87/98/776258798.db2.gz	NRHKVYYORYRNNP-SMDDNHRTSA-N	-1	0	290.363	2.809	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715813	776268237	/nfs/dbraw/zinc/26/82/37/776268237.db2.gz	HAHGAAUXUMMMHY-IUCAKERBSA-N	-1	0	250.298	2.507	20	30		CFEDRM
C=CC[C@@H](Oc1nc(=O)[n-]c2c1CO[C@@H]2C)C(C)C	ZINC001227715749	776268402	/nfs/dbraw/zinc/26/84/02/776268402.db2.gz	FWWPBAOJYZTSAD-MWLCHTKSSA-N	-1	0	264.325	2.753	20	30		CFEDRM
C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1C#N	ZINC001228391222	776479199	/nfs/dbraw/zinc/47/91/99/776479199.db2.gz	SVBPOCBZTIUEIK-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc(=O)[n-]cc1Cl	ZINC001228483209	776504980	/nfs/dbraw/zinc/50/49/80/776504980.db2.gz	SMAVPOZHTHIRFU-ZCFIWIBFSA-N	-1	0	262.762	2.701	20	30		CFEDRM
C=CCOc1ccccc1[C@H](C)Oc1cnnc(=S)[nH]1	ZINC001228641298	776549622	/nfs/dbraw/zinc/54/96/22/776549622.db2.gz	CGOKZJKQWQQMNW-JTQLQIEISA-N	-1	0	289.360	2.865	20	30		CFEDRM
C#CC[C@@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228860261	776636846	/nfs/dbraw/zinc/63/68/46/776636846.db2.gz	RZOWFRQPIHXLCB-ZCFIWIBFSA-N	-1	0	290.197	2.505	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2cc(F)ccc21	ZINC001228901820	776651265	/nfs/dbraw/zinc/65/12/65/776651265.db2.gz	OBAWJHKBWJPLCA-ZDUSSCGKSA-N	-1	0	270.263	2.864	20	30		CFEDRM
COc1ccc2c(c1)CC[C@@H](Oc1[n-]c(=O)ccc1C#N)C2	ZINC001228905133	776652585	/nfs/dbraw/zinc/65/25/85/776652585.db2.gz	JENUBDNKYVYWRX-OAHLLOKOSA-N	-1	0	296.326	2.604	20	30		CFEDRM
COc1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)c(F)c1	ZINC001228903600	776652653	/nfs/dbraw/zinc/65/26/53/776652653.db2.gz	YZWLMKLVTBEXOE-VIFPVBQESA-N	-1	0	288.278	2.947	20	30		CFEDRM
C=CC[C@H](Oc1nc(OC)cc(=O)[n-]1)c1ccccc1	ZINC001228918316	776658000	/nfs/dbraw/zinc/65/80/00/776658000.db2.gz	OCVHNNVVQYFIQR-LBPRGKRZSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[nH]c(=O)[n-]c(=O)c1F	ZINC001229124736	776727283	/nfs/dbraw/zinc/72/72/83/776727283.db2.gz	OBNUJYITFZZQCG-MRVPVSSYSA-N	-1	0	256.277	2.541	20	30		CFEDRM
C[C@H](CS)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229352121	776787982	/nfs/dbraw/zinc/78/79/82/776787982.db2.gz	BMDZEJZDEQVVLY-SECBINFHSA-N	-1	0	298.385	2.784	20	30		CFEDRM
C[Si](C)(C)C#C[C@H](Oc1ncnc(=O)[n-]1)c1ccccc1	ZINC001229606611	776855403	/nfs/dbraw/zinc/85/54/03/776855403.db2.gz	MOHNFAXZQUFCPG-ZDUSSCGKSA-N	-1	0	299.406	2.578	20	30		CFEDRM
COc1ccc(Nc2cc(C#N)c(F)cc2[O-])c(CO)c1	ZINC001211749467	776865785	/nfs/dbraw/zinc/86/57/85/776865785.db2.gz	MLKWWHZCYGBMMQ-UHFFFAOYSA-N	-1	0	288.278	2.647	20	30		CFEDRM
C#C[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230015007	776940312	/nfs/dbraw/zinc/94/03/12/776940312.db2.gz	SCGHICGFHHEZIC-JTQLQIEISA-N	-1	0	260.680	2.589	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2ncc(C(=O)OC)[n-]2)C1	ZINC001230279073	776970725	/nfs/dbraw/zinc/97/07/25/776970725.db2.gz	BWTGIMGLEWAOKG-YPMHNXCESA-N	-1	0	276.336	2.876	20	30		CFEDRM
C#C[C@H](Oc1ncc(C(=O)OC)[n-]1)[C@@H](CC)CCCC	ZINC001230280716	776970992	/nfs/dbraw/zinc/97/09/92/776970992.db2.gz	ZPVXBEWVCLKAKF-AAEUAGOBSA-N	-1	0	278.352	2.793	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861876	777076250	/nfs/dbraw/zinc/07/62/50/777076250.db2.gz	GWBRWPDUTGJRGW-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230883095	777080850	/nfs/dbraw/zinc/08/08/50/777080850.db2.gz	IWTKBBWAMGSYIE-NSHDSACASA-N	-1	0	274.295	2.901	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882101	777080934	/nfs/dbraw/zinc/08/09/34/777080934.db2.gz	DLHFURXUZCXYDJ-JTQLQIEISA-N	-1	0	260.268	2.655	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882130	777081334	/nfs/dbraw/zinc/08/13/34/777081334.db2.gz	DNCYNHVBZFLPIU-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H]1CC[C@H](C#N)C1	ZINC001230886898	777081826	/nfs/dbraw/zinc/08/18/26/777081826.db2.gz	USCRROMIJOOVHP-WDEREUQCSA-N	-1	0	269.304	2.715	20	30		CFEDRM
Cc1ccc2c(c1)nc(=O)[n-]c2O[C@H](C)[C@H](C)S	ZINC001230887819	777082984	/nfs/dbraw/zinc/08/29/84/777082984.db2.gz	DXYGUYSAMFOKRI-BDAKNGLRSA-N	-1	0	264.350	2.729	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074088	777133243	/nfs/dbraw/zinc/13/32/43/777133243.db2.gz	KQTGBAUPXDQMGP-CABZTGNLSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C=CCS(=O)(=O)[N-]c1nc2ccc(C)cc2s1	ZINC000710977147	777151484	/nfs/dbraw/zinc/15/14/84/777151484.db2.gz	OCBHSZGTSTVUIB-UHFFFAOYSA-N	-1	0	268.363	2.532	20	30		CFEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)CC(C)(C)S)[n-]1	ZINC001231264046	777180348	/nfs/dbraw/zinc/18/03/48/777180348.db2.gz	OIPVDXDRCARMQA-MRVPVSSYSA-N	-1	0	286.353	2.870	20	30		CFEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000126628724	777404655	/nfs/dbraw/zinc/40/46/55/777404655.db2.gz	RYDYVKWQGPFHPD-MRXNPFEDSA-N	-1	0	292.338	2.634	20	30		CFEDRM
N#CC1CN(Cc2ccc(Cl)c([O-])c2Cl)C1	ZINC001232624693	777622921	/nfs/dbraw/zinc/62/29/21/777622921.db2.gz	TXIADDCGIOEDRJ-UHFFFAOYSA-N	-1	0	257.120	2.654	20	30		CFEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1	ZINC001232673236	777636951	/nfs/dbraw/zinc/63/69/51/777636951.db2.gz	CYKHWDJLMBUVDJ-UHFFFAOYSA-N	-1	0	289.338	2.694	20	30		CFEDRM
N#C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1F	ZINC001233588496	778001046	/nfs/dbraw/zinc/00/10/46/778001046.db2.gz	FGKRHBSITZSGPS-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
COc1cc(/C=N/O)ccc1O[C@H](C)C1=CC=C[CH]1	ZINC001233803268	778081579	/nfs/dbraw/zinc/08/15/79/778081579.db2.gz	MJOZOLRBRVXZHS-HPUUJOOBSA-N	-1	0	258.297	2.971	20	30		CFEDRM
C[C@H](Cc1ccco1)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530237	778244877	/nfs/dbraw/zinc/24/48/77/778244877.db2.gz	JKLDJUXWFTWDQH-SNVBAGLBSA-N	-1	0	295.298	2.810	20	30		CFEDRM
Cc1cc(=O)c2c(O[C@@H]3CC[C@H](C#N)C3)cc([O-])cc2o1	ZINC001234812432	778300817	/nfs/dbraw/zinc/30/08/17/778300817.db2.gz	JEKDSYVQGIVVBQ-CMPLNLGQSA-N	-1	0	285.299	2.878	20	30		CFEDRM
Cc1cc(=O)c2c(O[C@@H](C)CS)cc([O-])cc2o1	ZINC001234818375	778301924	/nfs/dbraw/zinc/30/19/24/778301924.db2.gz	JVNNCKXCVJYRQH-QMMMGPOBSA-N	-1	0	266.318	2.504	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235078754	778372143	/nfs/dbraw/zinc/37/21/43/778372143.db2.gz	RFWNBJSKALGRQS-QPJJXVBHSA-N	-1	0	297.339	2.835	20	30		CFEDRM
N#Cc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1F	ZINC001235149018	778398179	/nfs/dbraw/zinc/39/81/79/778398179.db2.gz	JXPFEIKPFPBBNW-FPYGCLRLSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1sc(NC[C@H](C(=O)[O-])C2CCC2)nc1Cl	ZINC000697970608	778600071	/nfs/dbraw/zinc/60/00/71/778600071.db2.gz	MPGJCLXYDVAVNA-ZETCQYMHSA-N	-1	0	285.756	2.581	20	30		CFEDRM
Cc1nnc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c1C	ZINC001235985270	778641115	/nfs/dbraw/zinc/64/11/15/778641115.db2.gz	OPDHLOHIGKZAKB-UHFFFAOYSA-N	-1	0	279.221	2.755	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3c(F)cc(F)c([O-])c3F)ncc12	ZINC001235990145	778642885	/nfs/dbraw/zinc/64/28/85/778642885.db2.gz	ODHXZYNYHBVPQF-UHFFFAOYSA-N	-1	0	290.204	2.619	20	30		CFEDRM
N#Cc1ccc2c(c1)ncnc2-c1ccc(C(=O)[O-])cc1	ZINC001236055293	778671126	/nfs/dbraw/zinc/67/11/26/778671126.db2.gz	HABULQYJLDYJTD-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236056130	778671453	/nfs/dbraw/zinc/67/14/53/778671453.db2.gz	YRYUPLCXDAPCPB-UHFFFAOYSA-N	-1	0	270.288	2.715	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])cc1)CCC2	ZINC001236059137	778672319	/nfs/dbraw/zinc/67/23/19/778672319.db2.gz	SRNJWCMGLMRIOF-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
C=C/C(=N\COC)c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236148152	778718053	/nfs/dbraw/zinc/71/80/53/778718053.db2.gz	NDBNYYAFGAIQEB-OQLLNIDSSA-N	-1	0	271.675	2.756	20	30		CFEDRM
Cc1ccc(F)c(-c2cc3[nH]cnc3c(C#N)n2)c1[O-]	ZINC001236392144	778800470	/nfs/dbraw/zinc/80/04/70/778800470.db2.gz	LVSAANVFARCVDU-UHFFFAOYSA-N	-1	0	268.251	2.650	20	30		CFEDRM
COc1ccc(C#N)cc1-c1cnc(C(=O)[O-])c(C)c1	ZINC001236547037	778873684	/nfs/dbraw/zinc/87/36/84/778873684.db2.gz	SNCJIJXVCPUSFY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(F)c(C(=O)[O-])c2F)n1	ZINC001205083112	779102359	/nfs/dbraw/zinc/10/23/59/779102359.db2.gz	ROXBURGEEMLLLK-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCC1CN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237804421	779183369	/nfs/dbraw/zinc/18/33/69/779183369.db2.gz	DFBDUXGROWPZLD-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
CCCN(CCC#N)Cc1ccc(C(=O)[O-])cc1C	ZINC001238139262	779259387	/nfs/dbraw/zinc/25/93/87/779259387.db2.gz	LBGJTBPWQGKJTM-UHFFFAOYSA-N	-1	0	260.337	2.819	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238152756	779265385	/nfs/dbraw/zinc/26/53/85/779265385.db2.gz	QQGYBDUYDHUINI-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(F)(F)F)cc1	ZINC000130511106	779443891	/nfs/dbraw/zinc/44/38/91/779443891.db2.gz	FZGHCZJRTVLFHC-LLVKDONJSA-N	-1	0	298.264	2.552	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])cc2F)ccc1C#N	ZINC001239246574	779483826	/nfs/dbraw/zinc/48/38/26/779483826.db2.gz	DIUWPYDMNWYJNI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccnc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239247088	779483908	/nfs/dbraw/zinc/48/39/08/779483908.db2.gz	MKTUMFIXYYVRDL-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])cc1F	ZINC001239266496	779493497	/nfs/dbraw/zinc/49/34/97/779493497.db2.gz	INZZKUIWSASPLQ-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1C(C)C	ZINC000130664213	779499868	/nfs/dbraw/zinc/49/98/68/779499868.db2.gz	RMXANPWYKDXROL-CQSZACIVSA-N	-1	0	289.379	2.533	20	30		CFEDRM
N#CC1(c2ccc(Nc3ccc(C(N)=O)c(O)c3)cc2)CC1	ZINC001212262406	779546987	/nfs/dbraw/zinc/54/69/87/779546987.db2.gz	CBNPSCIQULUKHR-UHFFFAOYSA-N	-1	0	293.326	2.790	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001239261243	779913938	/nfs/dbraw/zinc/91/39/38/779913938.db2.gz	BOFDAPJHXMTDHN-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
COc1nc(-c2cc(F)ccc2[O-])c(F)cc1C#N	ZINC001240695396	780366028	/nfs/dbraw/zinc/36/60/28/780366028.db2.gz	JTJFEBINBZAWCP-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001240733931	780401282	/nfs/dbraw/zinc/40/12/82/780401282.db2.gz	MCKXJWDDPBFUCS-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1c(C)ccnc1C#N	ZINC001240738419	780405242	/nfs/dbraw/zinc/40/52/42/780405242.db2.gz	NRBARCURCDSUNO-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2nc(C)ccc2CC#N)ccc1C(=O)[O-]	ZINC001240741130	780406588	/nfs/dbraw/zinc/40/65/88/780406588.db2.gz	FPJXKDANSACKEQ-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
COc1cc(-c2c(C)ccnc2C#N)ccc1C(=O)[O-]	ZINC001240746915	780410926	/nfs/dbraw/zinc/41/09/26/780410926.db2.gz	DHKXEFXQMRNCAU-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1cc(F)c(N[C@H]2CCC[C@H]2C(=O)[O-])c(F)c1	ZINC000133564857	780446147	/nfs/dbraw/zinc/44/61/47/780446147.db2.gz	PQENTIDQTHIEFW-KCJUWKMLSA-N	-1	0	266.247	2.502	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])s3)cnc12	ZINC001240847163	780473712	/nfs/dbraw/zinc/47/37/12/780473712.db2.gz	DCWJDZMFESGMGK-UHFFFAOYSA-N	-1	0	269.285	2.861	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc2c(C#N)c[nH]c2n1	ZINC001240998896	780582609	/nfs/dbraw/zinc/58/26/09/780582609.db2.gz	CSAPBPGYWSVFSJ-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(CC#N)ccn1	ZINC001240999997	780583651	/nfs/dbraw/zinc/58/36/51/780583651.db2.gz	XAEJGRZPFOMSBD-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001241000757	780584481	/nfs/dbraw/zinc/58/44/81/780584481.db2.gz	JGLZUPAEIWZMTF-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cnc(C#N)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001212511050	780600152	/nfs/dbraw/zinc/60/01/52/780600152.db2.gz	PUEMWLHIGBQZSR-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
N#Cc1ccnc(-c2c(F)cc([O-])cc2F)c1F	ZINC001241119232	780647256	/nfs/dbraw/zinc/64/72/56/780647256.db2.gz	ZSSBXXBNLPWYKO-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241182816	780687924	/nfs/dbraw/zinc/68/79/24/780687924.db2.gz	BIYDJLSDHRVHMF-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185965	780691157	/nfs/dbraw/zinc/69/11/57/780691157.db2.gz	RWIVTHUFAXUFPR-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC001241246851	780730916	/nfs/dbraw/zinc/73/09/16/780730916.db2.gz	FYGRZJJJRKUBEC-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241348061	780800758	/nfs/dbraw/zinc/80/07/58/780800758.db2.gz	ARCSHDQFQBRDSL-UHFFFAOYSA-N	-1	0	287.706	2.929	20	30		CFEDRM
COc1cc(C#N)ccc1-c1ccccc1C(=O)[O-]	ZINC001241402036	780852702	/nfs/dbraw/zinc/85/27/02/780852702.db2.gz	HCYJXKZLUBYARH-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
Nc1ncc(-c2cccc(/C=N/[O-])c2)c(C(F)(F)F)n1	ZINC001241653020	781048509	/nfs/dbraw/zinc/04/85/09/781048509.db2.gz	YLKTUCRUKBVENO-BLLMUTORSA-N	-1	0	282.225	2.553	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000703727915	781052177	/nfs/dbraw/zinc/05/21/77/781052177.db2.gz	OCRAHMYEQJUWIP-QWHCGFSZSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000703732582	781053105	/nfs/dbraw/zinc/05/31/05/781053105.db2.gz	COZSFPSAWFEKJJ-CHWSQXEVSA-N	-1	0	269.385	2.964	20	30		CFEDRM
CCCCCCCNC(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000703734908	781053378	/nfs/dbraw/zinc/05/33/78/781053378.db2.gz	QACFUUIVNHHOGZ-UHFFFAOYSA-N	-1	0	298.305	2.615	20	30		CFEDRM
N#Cc1cc2cc(-c3cncc(C(=O)[O-])c3)ccc2[nH]1	ZINC001241803670	781135602	/nfs/dbraw/zinc/13/56/02/781135602.db2.gz	WDMHNMHJKGGCMX-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3cc(F)cc(C(=O)[O-])c3)cnc12	ZINC001241835339	781149102	/nfs/dbraw/zinc/14/91/02/781149102.db2.gz	KNYJQUJXQWOXGC-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#CCc1ccncc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241835238	781149325	/nfs/dbraw/zinc/14/93/25/781149325.db2.gz	GDJOXWQLDKCHIV-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccn1	ZINC001241835726	781150130	/nfs/dbraw/zinc/15/01/30/781150130.db2.gz	UZMMFDVNLCOXSC-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241836948	781150208	/nfs/dbraw/zinc/15/02/08/781150208.db2.gz	HCVHSMFWESIFKQ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2ccc(CC#N)c(C#N)c2)cc1C(=O)[O-]	ZINC001241868898	781159459	/nfs/dbraw/zinc/15/94/59/781159459.db2.gz	SEDUSPMSNRRFNB-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1ccc(-c2ccccc2C=NO)cc1C(=O)[O-]	ZINC001241881116	781162553	/nfs/dbraw/zinc/16/25/53/781162553.db2.gz	MNXVDBOXQIZEOK-UHFFFAOYSA-N	-1	0	271.272	2.869	20	30		CFEDRM
C#Cc1cccc(-c2ccccc2S(=O)(=O)[O-])c1	ZINC001241920608	781182771	/nfs/dbraw/zinc/18/27/71/781182771.db2.gz	XLKUZCDNNNHJPP-UHFFFAOYSA-N	-1	0	258.298	2.582	20	30		CFEDRM
C=CCCc1cccc(-c2cnn(CC(=O)[O-])c2)c1	ZINC001242184946	781317335	/nfs/dbraw/zinc/31/73/35/781317335.db2.gz	QZZNBETUDHIXEO-UHFFFAOYSA-N	-1	0	256.305	2.753	20	30		CFEDRM
N#CCc1cc2ccccc2c(-c2cnn(CC(=O)[O-])c2)c1	ZINC001242186567	781318273	/nfs/dbraw/zinc/31/82/73/781318273.db2.gz	GNJAVTBAYVXOOQ-UHFFFAOYSA-N	-1	0	291.310	2.854	20	30		CFEDRM
N#Cc1ncccc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001242308906	781385003	/nfs/dbraw/zinc/38/50/03/781385003.db2.gz	KWYBSHBLOWQCAS-UHFFFAOYSA-N	-1	0	271.330	2.634	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])nc2)c(CC#N)c1	ZINC001242336241	781407388	/nfs/dbraw/zinc/40/73/88/781407388.db2.gz	FQPJHQYKHPYROB-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])nc2)c(C)c1C#N	ZINC001242337050	781408643	/nfs/dbraw/zinc/40/86/43/781408643.db2.gz	WGYUKYBRSMZPSM-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cc2[nH]ccc2c(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242337787	781409591	/nfs/dbraw/zinc/40/95/91/781409591.db2.gz	JINHKOHVQNJLIC-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242380644	781449198	/nfs/dbraw/zinc/44/91/98/781449198.db2.gz	QHOSZSFCUVRSHX-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ncc2c(c1C#N)CCC2	ZINC001242389177	781457731	/nfs/dbraw/zinc/45/77/31/781457731.db2.gz	CAJDCTVSPBFZLG-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cnc2c(C#N)c[nH]c2c1	ZINC001242391963	781460618	/nfs/dbraw/zinc/46/06/18/781460618.db2.gz	HOSZSGJJXQBGTG-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(CC#N)cnc1F	ZINC001242392165	781462049	/nfs/dbraw/zinc/46/20/49/781462049.db2.gz	OQSXMAXXQMLQNZ-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
[O-]/N=C/c1ccc(F)c(-c2cnn(C(F)(F)F)c2)c1	ZINC001242465351	781520479	/nfs/dbraw/zinc/52/04/79/781520479.db2.gz	ZVAFDVBGVWHPOV-HAVNEIBRSA-N	-1	0	273.189	2.974	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccccc2C(=O)[O-])c1	ZINC001242878026	781817279	/nfs/dbraw/zinc/81/72/79/781817279.db2.gz	PZWYLNHKNLXSKK-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
N#Cc1cc(-c2ccccc2C(=O)[O-])nc(C2CC2)n1	ZINC001242878163	781817902	/nfs/dbraw/zinc/81/79/02/781817902.db2.gz	DKNGOADDHNSHFM-UHFFFAOYSA-N	-1	0	265.272	2.591	20	30		CFEDRM
N#CCc1cc(-c2ccccc2C(=O)[O-])ccc1C#N	ZINC001242878854	781818040	/nfs/dbraw/zinc/81/80/40/781818040.db2.gz	QYDYSMGFZGHWJG-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
COc1ccc(-c2ccccc2C(=O)[O-])nc1CC#N	ZINC001242879400	781818586	/nfs/dbraw/zinc/81/85/86/781818586.db2.gz	WNCKZMDSMAMHAR-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccccc3C(=O)[O-])cn12	ZINC001242880140	781820412	/nfs/dbraw/zinc/82/04/12/781820412.db2.gz	VCVFQNHLQHBKCM-UHFFFAOYSA-N	-1	0	263.256	2.571	20	30		CFEDRM
N#C[C@H](NC(=O)C(F)(F)c1ccccc1)C1CCCC1	ZINC001119605070	781835096	/nfs/dbraw/zinc/83/50/96/781835096.db2.gz	LWXAZPPQPSJXHP-ZDUSSCGKSA-N	-1	0	278.302	2.977	20	30		CFEDRM
[O-]/N=C/c1cc(-c2ccncn2)cc(C(F)(F)F)c1	ZINC001242917666	781839439	/nfs/dbraw/zinc/83/94/39/781839439.db2.gz	HLUFIIXKYMCEEJ-NGYBGAFCSA-N	-1	0	267.210	2.971	20	30		CFEDRM
Cc1cc(N[C@@H](CC(C)C)C(=O)[O-])cc(C#N)c1[N+](=O)[O-]	ZINC000595965317	349773059	/nfs/dbraw/zinc/77/30/59/349773059.db2.gz	CIYNSOCATOTTDJ-LBPRGKRZSA-N	-1	0	291.307	2.686	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc2cc(C#N)ccc2n1	ZINC000595973375	349773798	/nfs/dbraw/zinc/77/37/98/349773798.db2.gz	KCDQDVIXJCNEFT-RISCZKNCSA-N	-1	0	295.342	2.796	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=c1[n-]c(C#N)c(Cl)s1)OC	ZINC000596249651	349840135	/nfs/dbraw/zinc/84/01/35/349840135.db2.gz	JQFREQIZFROXJM-APPZFPTMSA-N	-1	0	273.789	2.563	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccncc1	ZINC000079153387	347292153	/nfs/dbraw/zinc/29/21/53/347292153.db2.gz	PUVNFJVFPXGBFP-AATRIKPKSA-N	-1	0	282.365	2.570	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081284078	347411835	/nfs/dbraw/zinc/41/18/35/347411835.db2.gz	ZYYRFHYHMGYZTA-QMMMGPOBSA-N	-1	0	275.333	2.722	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)c(C)c1	ZINC000084844142	347475656	/nfs/dbraw/zinc/47/56/56/347475656.db2.gz	UJVIAFPYXLIDMB-UHFFFAOYSA-N	-1	0	281.377	2.995	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000089286191	347515419	/nfs/dbraw/zinc/51/54/19/347515419.db2.gz	OKJLHSXURAEHIW-UHFFFAOYSA-N	-1	0	283.393	2.675	20	30		CFEDRM
C=CC1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1	ZINC000111632165	347755294	/nfs/dbraw/zinc/75/52/94/347755294.db2.gz	FDBNKBKQUONSHI-UHFFFAOYSA-N	-1	0	267.275	2.709	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2n[nH]c3c2CCCC3)n1	ZINC000122764021	347817159	/nfs/dbraw/zinc/81/71/59/347817159.db2.gz	QKPTYBGAHNAXHT-JTQLQIEISA-N	-1	0	286.360	2.544	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1NCC1(C(=O)[O-])CCC1	ZINC000166681612	348043181	/nfs/dbraw/zinc/04/31/81/348043181.db2.gz	XCGFHEYPKBVLIU-UHFFFAOYSA-N	-1	0	299.252	2.639	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000232620872	348212032	/nfs/dbraw/zinc/21/20/32/348212032.db2.gz	OASSKZJWTIJFJO-LBPRGKRZSA-N	-1	0	270.373	2.531	20	30		CFEDRM
C[C@H]1CN(c2cccc(Cl)c2C#N)CC[C@@H]1C(=O)[O-]	ZINC000302566050	348374316	/nfs/dbraw/zinc/37/43/16/348374316.db2.gz	ZTSUDZFKEPKQGZ-UWVGGRQHSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CCCn1nccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000584731178	348711079	/nfs/dbraw/zinc/71/10/79/348711079.db2.gz	DTSCFTXFURINBN-JTQLQIEISA-N	-1	0	274.349	2.548	20	30		CFEDRM
N#Cc1cc(F)ccc1NC1CCC(C(=O)[O-])CC1	ZINC000104244457	185941705	/nfs/dbraw/zinc/94/17/05/185941705.db2.gz	CNODOPJDAMKJEM-UHFFFAOYSA-N	-1	0	262.284	2.753	20	30		CFEDRM
N#CC1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1	ZINC000590487556	348904353	/nfs/dbraw/zinc/90/43/53/348904353.db2.gz	MCLCEZDYLLBCSE-UHFFFAOYSA-N	-1	0	286.718	2.794	20	30		CFEDRM
CCc1cc(C#N)c([N-]S(=O)(=O)CCCCF)s1	ZINC000590592716	348912508	/nfs/dbraw/zinc/91/25/08/348912508.db2.gz	VPZWQEIQLJCCSK-UHFFFAOYSA-N	-1	0	290.385	2.674	20	30		CFEDRM
N#C[C@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cc2Cl)C1	ZINC000592421978	349118882	/nfs/dbraw/zinc/11/88/82/349118882.db2.gz	ZIECKVHYGXEWKB-IONNQARKSA-N	-1	0	265.700	2.537	20	30		CFEDRM
Cc1c(C#N)c(=NC(=O)c2ccc(C3CCC3)cc2)[n-]n1C	ZINC000592651967	349145754	/nfs/dbraw/zinc/14/57/54/349145754.db2.gz	WYZOMLRMHCHDRG-UHFFFAOYSA-N	-1	0	294.358	2.542	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1	ZINC000598138193	350208890	/nfs/dbraw/zinc/20/88/90/350208890.db2.gz	WRPVMHPVCPSRBM-MRVPVSSYSA-N	-1	0	298.264	2.928	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000598422039	350267520	/nfs/dbraw/zinc/26/75/20/350267520.db2.gz	SMPKNBXYUZVXDL-PHIMTYICSA-N	-1	0	288.303	2.624	20	30		CFEDRM
CC[C@H](Sc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000600674095	350595021	/nfs/dbraw/zinc/59/50/21/350595021.db2.gz	CYNFZGCJNHOARR-QMMMGPOBSA-N	-1	0	256.714	2.562	20	30		CFEDRM
CC[C@H](Sc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000600675967	350595529	/nfs/dbraw/zinc/59/55/29/350595529.db2.gz	QQJYPTFEVMKLMQ-QMMMGPOBSA-N	-1	0	256.714	2.562	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(CSC)cc1)C(=O)[O-]	ZINC000600876128	350621984	/nfs/dbraw/zinc/62/19/84/350621984.db2.gz	WPFWECNHPJTXIR-CYBMUJFWSA-N	-1	0	293.388	2.699	20	30		CFEDRM
C[C@@H]1CN(c2cc(C#N)nc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000600803812	350615300	/nfs/dbraw/zinc/61/53/00/350615300.db2.gz	ZEIYQACSNBESLG-DGCLKSJQSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CC2(CC2)C1	ZINC000601629342	350749953	/nfs/dbraw/zinc/74/99/53/350749953.db2.gz	JCJOLIMYRVOUQX-UHFFFAOYSA-N	-1	0	278.258	2.693	20	30		CFEDRM
Cc1[n-]n(CCc2ccccc2F)c(=O)c1CCC#N	ZINC000601947359	350814304	/nfs/dbraw/zinc/81/43/04/350814304.db2.gz	RICNTQDKOIFOQW-ZDUSSCGKSA-N	-1	0	273.311	2.506	20	30		CFEDRM
Cc1[n-]n([C@H](C)COc2ccccc2)c(=O)c1CCC#N	ZINC000601947201	350814483	/nfs/dbraw/zinc/81/44/83/350814483.db2.gz	SPMPDPRXDSIKMF-IUODEOHRSA-N	-1	0	285.347	2.592	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c(C3CC3)cc2=O)cc1Cl	ZINC000601949401	350816162	/nfs/dbraw/zinc/81/61/62/350816162.db2.gz	ONIZUEAIVXBHBJ-UHFFFAOYSA-N	-1	0	259.696	2.714	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)ccc2C)c(=O)c1CCC#N	ZINC000601950077	350816703	/nfs/dbraw/zinc/81/67/03/350816703.db2.gz	UBBJCUBQFDPFJI-GFCCVEGCSA-N	-1	0	259.284	2.777	20	30		CFEDRM
C[C@H]1CCc2c1[n-]n(-c1ccc(C#N)c(Cl)c1)c2=O	ZINC000601950489	350816933	/nfs/dbraw/zinc/81/69/33/350816933.db2.gz	UWACFTDMKQCMHT-GZMMTYOYSA-N	-1	0	273.723	2.960	20	30		CFEDRM
N#Cc1cnc(NCCCCCC(=O)[O-])c(Cl)c1	ZINC000416424747	233578975	/nfs/dbraw/zinc/57/89/75/233578975.db2.gz	BANJIMLXEJLJBV-UHFFFAOYSA-N	-1	0	267.716	2.664	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(C#N)ccc1C	ZINC000601984048	350823112	/nfs/dbraw/zinc/82/31/12/350823112.db2.gz	IBLGQBWPLOMKCL-HNNXBMFYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCC(C)(C)CCC#N	ZINC000601981990	350823120	/nfs/dbraw/zinc/82/31/20/350823120.db2.gz	IJWDEYFLKIGGSP-INIZCTEOSA-N	-1	0	296.411	2.960	20	30		CFEDRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCC(C)(C)CC#N	ZINC000602000303	350827448	/nfs/dbraw/zinc/82/74/48/350827448.db2.gz	PDJNNLHSMWYJRC-OAHLLOKOSA-N	-1	0	282.384	2.570	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1CCC#N	ZINC000603923432	351192156	/nfs/dbraw/zinc/19/21/56/351192156.db2.gz	IXKYGMKEZGTPNS-ZDUSSCGKSA-N	-1	0	255.321	2.946	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1	ZINC000291916819	198104543	/nfs/dbraw/zinc/10/45/43/198104543.db2.gz	UCERURMNTLGMFZ-UHFFFAOYSA-N	-1	0	297.405	2.846	20	30		CFEDRM
CCSCC[C@H](C)N(C)C(=O)c1cc(O)cc(C#N)c1	ZINC000614370564	352086444	/nfs/dbraw/zinc/08/64/44/352086444.db2.gz	HYMSIEUBMZQHGT-NSHDSACASA-N	-1	0	292.404	2.868	20	30		CFEDRM
CC(C)c1noc(=N[C@@H]2CCc3cc(C#N)ccc32)[n-]1	ZINC000618693570	352862672	/nfs/dbraw/zinc/86/26/72/352862672.db2.gz	ZFDQEDXDXGMRSI-CYBMUJFWSA-N	-1	0	268.320	2.586	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c([O-])c(F)c1	ZINC000620306001	353149321	/nfs/dbraw/zinc/14/93/21/353149321.db2.gz	YYLPCSOQESACEV-PHIMTYICSA-N	-1	0	279.286	2.994	20	30		CFEDRM
N#Cc1nc(NC2CCC(C(=O)[O-])CC2)ccc1Cl	ZINC000263543592	383679523	/nfs/dbraw/zinc/67/95/23/383679523.db2.gz	FIOVEBBQRDPTRV-UHFFFAOYSA-N	-1	0	279.727	2.662	20	30		CFEDRM
N#Cc1cc(NC(=O)NOCCC(F)(F)F)ccc1F	ZINC000157319369	188309874	/nfs/dbraw/zinc/30/98/74/188309874.db2.gz	SRSAZVIHTJBJSM-UHFFFAOYSA-N	-1	0	291.204	2.703	20	30		CFEDRM
C=CCCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-]	ZINC000621582763	353381755	/nfs/dbraw/zinc/38/17/55/353381755.db2.gz	YCBZLSNXMGKWPH-KBPBESRZSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)C1CC(C(=O)[O-])C1	ZINC000630293635	355043016	/nfs/dbraw/zinc/04/30/16/355043016.db2.gz	ZCKXPXNRFWHTCZ-UHFFFAOYSA-N	-1	0	287.359	2.702	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc(C(=O)[O-])c1	ZINC000630203722	355027872	/nfs/dbraw/zinc/02/78/72/355027872.db2.gz	DLIOLTQQDONCDC-FZMZJTMJSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000630317845	355049479	/nfs/dbraw/zinc/04/94/79/355049479.db2.gz	BPSPRKHEXVOFMZ-KBPBESRZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000630318177	355049486	/nfs/dbraw/zinc/04/94/86/355049486.db2.gz	FHUOHRIJRUBLGQ-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)[O-]	ZINC000630319065	355049989	/nfs/dbraw/zinc/04/99/89/355049989.db2.gz	RJWNMVHEUSONMC-CQSZACIVSA-N	-1	0	292.379	2.835	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-]	ZINC000630319688	355050155	/nfs/dbraw/zinc/05/01/55/355050155.db2.gz	FVNRFBQUFWTGNT-CYBMUJFWSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1oc(C(F)F)cc1C)C(=O)[O-]	ZINC000630321657	355050848	/nfs/dbraw/zinc/05/08/48/355050848.db2.gz	LBXVQPAGGUXGEO-MRVPVSSYSA-N	-1	0	287.262	2.675	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630321195	355050850	/nfs/dbraw/zinc/05/08/50/355050850.db2.gz	GULZXHZLSDHSPG-NWDGAFQWSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000630323903	355051634	/nfs/dbraw/zinc/05/16/34/355051634.db2.gz	BLDKULKTYJAXIX-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-]	ZINC000630325751	355052505	/nfs/dbraw/zinc/05/25/05/355052505.db2.gz	KYPOMMCDPRYITM-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(OCC)c1)C(=O)[O-]	ZINC000630544596	355107739	/nfs/dbraw/zinc/10/77/39/355107739.db2.gz	HBDBGPBKQLZUGT-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N(C)[C@@H](C)C(=O)[O-])c1	ZINC000630547317	355108033	/nfs/dbraw/zinc/10/80/33/355108033.db2.gz	HZRXAJHNSGBBPQ-NSHDSACASA-N	-1	0	292.335	2.578	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccccc1Cl)C(=O)[O-]	ZINC000630466841	355090778	/nfs/dbraw/zinc/09/07/78/355090778.db2.gz	ADXUWVWTLRZQOK-GFCCVEGCSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C(C)=O)ccc2[O-])C1	ZINC000632314831	355688068	/nfs/dbraw/zinc/68/80/68/355688068.db2.gz	CBXRZPHGZQDZJG-UHFFFAOYSA-N	-1	0	259.305	2.890	20	30		CFEDRM
O=C([O-])CCC(=O)Nc1cccc(C#Cc2cccs2)c1	ZINC000678977118	540525250	/nfs/dbraw/zinc/52/52/50/540525250.db2.gz	NNHNTJVCIUHDAE-UHFFFAOYSA-N	-1	0	299.351	2.951	20	30		CFEDRM
C#CCO[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000297020719	200063729	/nfs/dbraw/zinc/06/37/29/200063729.db2.gz	GWBDWMBFDLIDOG-SSDOTTSWSA-N	-1	0	288.130	2.676	20	30		CFEDRM
C=CCC[C@@H](C(=O)[N-]OC(C)(C)CO)c1ccccc1	ZINC000297159452	200101485	/nfs/dbraw/zinc/10/14/85/200101485.db2.gz	JPWLRNYEJOKBIX-CQSZACIVSA-N	-1	0	277.364	2.555	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1	ZINC000179081198	189167237	/nfs/dbraw/zinc/16/72/37/189167237.db2.gz	HXPSXLXTBBHZNU-ZDUSSCGKSA-N	-1	0	261.321	2.675	20	30		CFEDRM
CC(C)Cn1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cn1	ZINC000180726053	189271891	/nfs/dbraw/zinc/27/18/91/189271891.db2.gz	NXTZWGVTZMEWTD-HWKANZROSA-N	-1	0	296.330	2.674	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000393739220	541019240	/nfs/dbraw/zinc/01/92/40/541019240.db2.gz	SWQVVFNQAAGPCS-STQMWFEESA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C1CCC1)C1CCC1)C(=O)[O-]	ZINC000316216327	541050129	/nfs/dbraw/zinc/05/01/29/541050129.db2.gz	ANVGQBSWMYIAEX-ZDUSSCGKSA-N	-1	0	279.380	2.738	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(F)c([O-])c1	ZINC001243047480	781951770	/nfs/dbraw/zinc/95/17/70/781951770.db2.gz	SYOFPRZAZWHUDA-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000135968976	541274724	/nfs/dbraw/zinc/27/47/24/541274724.db2.gz	ZMUYJLOWTVVWLW-QGZVFWFLSA-N	-1	0	289.375	2.844	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)C1CCCC1	ZINC000049513550	260662304	/nfs/dbraw/zinc/66/23/04/260662304.db2.gz	KKCNCDTXYDMMSS-UHFFFAOYSA-N	-1	0	259.371	2.796	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/C=C\c1ccncc1	ZINC000447357146	241371914	/nfs/dbraw/zinc/37/19/14/241371914.db2.gz	WXCCGXTVIMWWGF-HSFFGMMNSA-N	-1	0	277.283	2.773	20	30		CFEDRM
N#CCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000029967000	372389309	/nfs/dbraw/zinc/38/93/09/372389309.db2.gz	XQMYRZZTUNRCBO-UHFFFAOYSA-N	-1	0	290.319	2.693	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041547463	372847754	/nfs/dbraw/zinc/84/77/54/372847754.db2.gz	ZBLKMGPZOKJHSH-JTQLQIEISA-N	-1	0	281.271	2.923	20	30		CFEDRM
CC[C@H](CC(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000451724069	383692065	/nfs/dbraw/zinc/69/20/65/383692065.db2.gz	KSYWGFKCANBOFU-SNVBAGLBSA-N	-1	0	274.368	2.591	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cc(C(=O)[O-])cs1	ZINC000378729157	781964094	/nfs/dbraw/zinc/96/40/94/781964094.db2.gz	KETKUGUFXMPUIF-ZVMGRCLESA-N	-1	0	259.714	2.939	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C#N)cs2)n1	ZINC000083937519	374759406	/nfs/dbraw/zinc/75/94/06/374759406.db2.gz	KMFBMJDPMFJEBC-SECBINFHSA-N	-1	0	273.342	2.875	20	30		CFEDRM
CCOc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000093242824	375199807	/nfs/dbraw/zinc/19/98/07/375199807.db2.gz	PHGZJJDOHCUFJM-JTQLQIEISA-N	-1	0	287.344	2.735	20	30		CFEDRM
N#Cc1c(F)cccc1NC1CCC(C(=O)[O-])CC1	ZINC000093396080	375228693	/nfs/dbraw/zinc/22/86/93/375228693.db2.gz	USYHIMXPWPOOPZ-UHFFFAOYSA-N	-1	0	262.284	2.753	20	30		CFEDRM
CC(C)C[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000124643363	377072567	/nfs/dbraw/zinc/07/25/67/377072567.db2.gz	UNTMTZIMFZTTPX-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1	ZINC000126528292	377232802	/nfs/dbraw/zinc/23/28/02/377232802.db2.gz	MUOIOMPGKDNWBY-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CCCc1nc(=NC(=O)NC[C@@H]2CC=CCC2)s[n-]1	ZINC000330487479	378569762	/nfs/dbraw/zinc/56/97/62/378569762.db2.gz	HHUKYQPQWXCZSJ-SNVBAGLBSA-N	-1	0	280.397	2.595	20	30		CFEDRM
Cn1cc(C#N)cc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000334205387	378922132	/nfs/dbraw/zinc/92/21/32/378922132.db2.gz	XRMPMBGBQBMPFP-UHFFFAOYSA-N	-1	0	293.685	2.647	20	30		CFEDRM
C=CCN(C(=O)c1ccc([O-])c(Cl)c1)C1CC1	ZINC000165378929	379038281	/nfs/dbraw/zinc/03/82/81/379038281.db2.gz	NGWCVBJVXRJZPM-UHFFFAOYSA-N	-1	0	251.713	2.836	20	30		CFEDRM
C=CCN(C(=O)CC1(C(=O)[O-])CCCCC1)C1CC1	ZINC000165194934	379033221	/nfs/dbraw/zinc/03/32/21/379033221.db2.gz	OBEBGAXSVCPJOT-UHFFFAOYSA-N	-1	0	265.353	2.589	20	30		CFEDRM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000334348784	379135451	/nfs/dbraw/zinc/13/54/51/379135451.db2.gz	ZGKURPWUUJBAMB-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)Nc1cc2[nH]ccc2cc1C	ZINC000335203466	380001652	/nfs/dbraw/zinc/00/16/52/380001652.db2.gz	PGHRNGALSGOHQV-NSHDSACASA-N	-1	0	277.349	2.520	20	30		CFEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000336290487	380310403	/nfs/dbraw/zinc/31/04/03/380310403.db2.gz	LQRPLQMVHSTRCO-INWYIAFRSA-N	-1	0	268.675	2.673	20	30		CFEDRM
N#Cc1c[nH]c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000336589586	380511852	/nfs/dbraw/zinc/51/18/52/380511852.db2.gz	UTYOMRIWGMJNHX-UHFFFAOYSA-N	-1	0	279.658	2.637	20	30		CFEDRM
N#CCN(C(=O)c1cc(F)c([O-])c(F)c1)C1CCCC1	ZINC000180043099	380613761	/nfs/dbraw/zinc/61/37/61/380613761.db2.gz	HBICWLVEWATEMD-UHFFFAOYSA-N	-1	0	280.274	2.579	20	30		CFEDRM
CCCc1nc(=NCc2ccc(C#N)c(F)c2)s[n-]1	ZINC000404569273	380901880	/nfs/dbraw/zinc/90/18/80/380901880.db2.gz	GLNJWSLLCRPXIM-UHFFFAOYSA-N	-1	0	276.340	2.535	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)C2CC(C(C)(C)C)C2)[n-]1	ZINC000410540396	380982466	/nfs/dbraw/zinc/98/24/66/380982466.db2.gz	MISGLUBZWZMNEA-UHFFFAOYSA-N	-1	0	288.395	2.768	20	30		CFEDRM
CC[C@H](CO)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000183385581	381264317	/nfs/dbraw/zinc/26/43/17/381264317.db2.gz	YOBCIJRDFKTONL-SVOHMGGZSA-N	-1	0	262.136	2.889	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)o1	ZINC000342452055	381338814	/nfs/dbraw/zinc/33/88/14/381338814.db2.gz	RLCBTSUQXBEXQP-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(C3CC3)ccn2)cc1[O-]	ZINC000359649320	381532982	/nfs/dbraw/zinc/53/29/82/381532982.db2.gz	GDINUENBKWLJRM-UHFFFAOYSA-N	-1	0	279.299	2.789	20	30		CFEDRM
C#CCO[N-]C(=O)CSc1ccc(C(C)C)cc1	ZINC000291169282	381693415	/nfs/dbraw/zinc/69/34/15/381693415.db2.gz	DLMIZOOTBKRNTE-UHFFFAOYSA-N	-1	0	263.362	2.583	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1noc2cc(OC)ccc21	ZINC000291798890	381772505	/nfs/dbraw/zinc/77/25/05/381772505.db2.gz	BBGVMMBYJWHKHU-UHFFFAOYSA-N	-1	0	296.348	2.544	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C/c2ccc(C#N)cn2)cc1)C(=O)[O-]	ZINC000349104546	381824575	/nfs/dbraw/zinc/82/45/75/381824575.db2.gz	FLTIIWXENBGXIK-RDNKVPPGSA-N	-1	0	294.310	2.976	20	30		CFEDRM
C=C(C)Cn1c(-c2ccoc2)n[n-]c1=NC(C)(C)C	ZINC000361319288	381819794	/nfs/dbraw/zinc/81/97/94/381819794.db2.gz	VEDQZBRBXDQGIL-UHFFFAOYSA-N	-1	0	260.341	2.747	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC[C@@H]2CCCCO2)s1	ZINC000351629770	382050699	/nfs/dbraw/zinc/05/06/99/382050699.db2.gz	QBMSKYVYBGPPBE-JTQLQIEISA-N	-1	0	285.438	2.609	20	30		CFEDRM
Cc1sc(/C=C/c2cc(C#N)n(C)c2)nc1C(=O)[O-]	ZINC000352029534	382139556	/nfs/dbraw/zinc/13/95/56/382139556.db2.gz	ZXWRUVNHVYIJFC-ONEGZZNKSA-N	-1	0	273.317	2.530	20	30		CFEDRM
Cc1nc(=N[C@@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419011569	382216241	/nfs/dbraw/zinc/21/62/41/382216241.db2.gz	AUYHOAGMTCJFKW-CYBMUJFWSA-N	-1	0	270.361	2.630	20	30		CFEDRM
N#Cc1nc(NC(=O)c2ccc3sccc3c2)[n-]c1C#N	ZINC000352143020	382193108	/nfs/dbraw/zinc/19/31/08/382193108.db2.gz	XISILJQROFYMFB-UHFFFAOYSA-N	-1	0	293.311	2.620	20	30		CFEDRM
Cc1ccccc1-c1n[n-]c(=NCc2ccc(C#N)cc2)o1	ZINC000357703240	382286082	/nfs/dbraw/zinc/28/60/82/382286082.db2.gz	SHPOTXBZSFNTNW-UHFFFAOYSA-N	-1	0	290.326	2.951	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000293707525	382244134	/nfs/dbraw/zinc/24/41/34/382244134.db2.gz	FDWCVOJYPXQGTB-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000345951907	382324486	/nfs/dbraw/zinc/32/44/86/382324486.db2.gz	DZNQKQPDEYAGGK-JSGCOSHPSA-N	-1	0	297.395	2.507	20	30		CFEDRM
CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188612603	382443052	/nfs/dbraw/zinc/44/30/52/382443052.db2.gz	NXDRVRKYLMUUJL-OCCSQVGLSA-N	-1	0	290.388	2.668	20	30		CFEDRM
CC1(CCNC(=O)c2cc(F)cc3n[nH]nc32)CC1	ZINC000328660866	382562077	/nfs/dbraw/zinc/56/20/77/382562077.db2.gz	WCUUQJLNFPWGSR-UHFFFAOYSA-N	-1	0	262.288	2.592	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000398087936	382635024	/nfs/dbraw/zinc/63/50/24/382635024.db2.gz	MYVANBLOBHCGPP-XUXIUFHCSA-N	-1	0	294.395	2.626	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000393737929	382624914	/nfs/dbraw/zinc/62/49/14/382624914.db2.gz	RJCTWTOAWFSICN-LBPRGKRZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1C	ZINC000189795173	382640997	/nfs/dbraw/zinc/64/09/97/382640997.db2.gz	WEXXZOUZVPRQRN-JTNHKYCSSA-N	-1	0	272.348	2.818	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190893648	382684039	/nfs/dbraw/zinc/68/40/39/382684039.db2.gz	ZSFGHVVZABEYTP-LLVKDONJSA-N	-1	0	292.298	2.725	20	30		CFEDRM
C=CCCC[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000398181896	382635355	/nfs/dbraw/zinc/63/53/55/382635355.db2.gz	ONIUFAWOYNXCGI-VIFPVBQESA-N	-1	0	279.296	2.845	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000192860336	382713095	/nfs/dbraw/zinc/71/30/95/382713095.db2.gz	XJEAHDNVJPZCRK-ZDUSSCGKSA-N	-1	0	275.348	2.702	20	30		CFEDRM
CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(C#N)cc2)s[n-]1	ZINC000336833344	382727349	/nfs/dbraw/zinc/72/73/49/382727349.db2.gz	YFBGATVDSYEZBV-ZJUUUORDSA-N	-1	0	288.376	2.712	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)s1	ZINC000230333406	382859689	/nfs/dbraw/zinc/85/96/89/382859689.db2.gz	FCABWOCFXQMYPK-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
COc1ccc2occ(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000442542634	382936011	/nfs/dbraw/zinc/93/60/11/382936011.db2.gz	SUZCETVFKJWONG-LBPRGKRZSA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1ccc(F)cc1)C(=O)[O-]	ZINC000579609136	383036037	/nfs/dbraw/zinc/03/60/37/383036037.db2.gz	OKPXORAVHZDIAW-AWEZNQCLSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1	ZINC000565801914	383181729	/nfs/dbraw/zinc/18/17/29/383181729.db2.gz	VPBNCGLGAMLWEZ-SSDOTTSWSA-N	-1	0	298.264	2.574	20	30		CFEDRM
C=CCOc1ccccc1CN=c1ccc(OC(C)C)n[n-]1	ZINC000562238795	383155807	/nfs/dbraw/zinc/15/58/07/383155807.db2.gz	AGDFULYVPNZKOW-UHFFFAOYSA-N	-1	0	299.374	2.863	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000566984837	383231940	/nfs/dbraw/zinc/23/19/40/383231940.db2.gz	UYDYBTUGZASWOK-STQMWFEESA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000280636884	194910391	/nfs/dbraw/zinc/91/03/91/194910391.db2.gz	MKQSHURUIXJRMU-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(-c2ccoc2C)on1	ZINC000427770091	383415200	/nfs/dbraw/zinc/41/52/00/383415200.db2.gz	JXXZABLOQYKOCH-UHFFFAOYSA-N	-1	0	296.348	2.951	20	30		CFEDRM
C=CC1CCN(C(=O)C[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000634904689	383398630	/nfs/dbraw/zinc/39/86/30/383398630.db2.gz	VVFHAJDXQCJSSG-HNNXBMFYSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000634927831	383407738	/nfs/dbraw/zinc/40/77/38/383407738.db2.gz	YTFVTYZDZIVFLJ-SYQHCUMBSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000634938887	383412547	/nfs/dbraw/zinc/41/25/47/383412547.db2.gz	VJLOAPPUGQIIEY-CZUORRHYSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1coc2c1cccc2C)C(=O)[O-]	ZINC000425250404	383350173	/nfs/dbraw/zinc/35/01/73/383350173.db2.gz	FOUVCCFKCBWCOS-CYBMUJFWSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634838593	383374759	/nfs/dbraw/zinc/37/47/59/383374759.db2.gz	LYHCEOBEKMEZSZ-AWEZNQCLSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CCCC1	ZINC000634840298	383375864	/nfs/dbraw/zinc/37/58/64/383375864.db2.gz	HTSJOQSLIVXODQ-STQMWFEESA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634941469	383414519	/nfs/dbraw/zinc/41/45/19/383414519.db2.gz	CZMIBJJWUKGYCS-SWLSCSKDSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634852128	383382447	/nfs/dbraw/zinc/38/24/47/383382447.db2.gz	NEHDNUJPLOYCDW-HNNXBMFYSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C[C@@]1(C(=O)[O-])CCSC1	ZINC000634947448	383417420	/nfs/dbraw/zinc/41/74/20/383417420.db2.gz	OVBPQZPDFQTPOA-HNNXBMFYSA-N	-1	0	299.436	2.693	20	30		CFEDRM
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F	ZINC000340956884	383509470	/nfs/dbraw/zinc/50/94/70/383509470.db2.gz	NWFXYGDATGWYKH-UHFFFAOYSA-N	-1	0	294.307	2.654	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000635529996	383578739	/nfs/dbraw/zinc/57/87/39/383578739.db2.gz	NDVANVZLOPKIJZ-CYBMUJFWSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CC(C)CN=c1[n-]nc(S[C@H]2CC[C@@H](C#N)C2)s1	ZINC000430137499	383589290	/nfs/dbraw/zinc/58/92/90/383589290.db2.gz	YUJBWXCLEGRYRW-ZJUUUORDSA-N	-1	0	282.438	2.812	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C(C1CCC1)C1CCC1	ZINC000570842413	383640807	/nfs/dbraw/zinc/64/08/07/383640807.db2.gz	KOJOAKZMPXTIBD-UHFFFAOYSA-N	-1	0	298.390	2.736	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000262837307	383642104	/nfs/dbraw/zinc/64/21/04/383642104.db2.gz	GNCKBLLTSSXQGE-OAHLLOKOSA-N	-1	0	287.359	2.715	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCSc1ccccc1)C(=O)[O-]	ZINC000262971216	383646540	/nfs/dbraw/zinc/64/65/40/383646540.db2.gz	SOQVUFKSIKSXDS-ZDUSSCGKSA-N	-1	0	293.388	2.704	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000436473189	383821573	/nfs/dbraw/zinc/82/15/73/383821573.db2.gz	AVDDINLBJVOSBS-HWKANZROSA-N	-1	0	266.256	2.527	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)CCCC#N)c1	ZINC000436651301	383863873	/nfs/dbraw/zinc/86/38/73/383863873.db2.gz	DPHNEHBOGBNECB-UHFFFAOYSA-N	-1	0	260.293	2.617	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H](C)C(F)(F)F)s1	ZINC000439036122	384032984	/nfs/dbraw/zinc/03/29/84/384032984.db2.gz	FPISRBSGJIODRG-ZCFIWIBFSA-N	-1	0	283.344	2.848	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000680998864	542397056	/nfs/dbraw/zinc/39/70/56/542397056.db2.gz	ODYBMACZSKSDTF-SNVBAGLBSA-N	-1	0	287.319	2.571	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000286724140	385695938	/nfs/dbraw/zinc/69/59/38/385695938.db2.gz	KPGHNCPBUZNUSS-UHFFFAOYSA-N	-1	0	255.676	2.927	20	30		CFEDRM
COc1nc(C)ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000347227618	533181313	/nfs/dbraw/zinc/18/13/13/533181313.db2.gz	MKGBAVBBNWAJDN-LLVKDONJSA-N	-1	0	287.344	2.654	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2sccc2C#N)s1	ZINC000336483887	128393903	/nfs/dbraw/zinc/39/39/03/128393903.db2.gz	CUSJLQFORGZGKA-UHFFFAOYSA-N	-1	0	259.315	2.805	20	30		CFEDRM
N#CC(=C([O-])c1cc2cccc(F)c2o1)c1ccncn1	ZINC000682129491	542524364	/nfs/dbraw/zinc/52/43/64/542524364.db2.gz	VOBLISHWWADBLZ-JTQLQIEISA-N	-1	0	281.246	2.852	20	30		CFEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000237579950	131043392	/nfs/dbraw/zinc/04/33/92/131043392.db2.gz	DJYJUNMUQXOWLY-CYBMUJFWSA-N	-1	0	261.321	2.593	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000237947138	131068214	/nfs/dbraw/zinc/06/82/14/131068214.db2.gz	WVAPAZMJBKHERS-UHFFFAOYSA-N	-1	0	289.331	2.857	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(F)cc1	ZINC000262888113	131270807	/nfs/dbraw/zinc/27/08/07/131270807.db2.gz	HQNKVCJFFHJPBT-GFCCVEGCSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000263265030	131287760	/nfs/dbraw/zinc/28/77/60/131287760.db2.gz	KSKWIVKBYJVBKJ-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2o1	ZINC000683690188	542708952	/nfs/dbraw/zinc/70/89/52/542708952.db2.gz	YKJOXWPBQYNKEV-QMMMGPOBSA-N	-1	0	269.285	2.774	20	30		CFEDRM
CC[C@@H](CC(C)C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410539274	393629587	/nfs/dbraw/zinc/62/95/87/393629587.db2.gz	JFWSIQHBKCQGNS-LBPRGKRZSA-N	-1	0	276.384	2.768	20	30		CFEDRM
C=CC[C@H](Cc1ccccc1)N=c1nc(C)[n-]s1	ZINC000413587945	393786045	/nfs/dbraw/zinc/78/60/45/393786045.db2.gz	XNPRUQOXIVEDNV-CYBMUJFWSA-N	-1	0	259.378	2.868	20	30		CFEDRM
CC(C)C[C@H](CNc1c(C#N)nnc2ccccc21)C(=O)[O-]	ZINC000424379961	393841499	/nfs/dbraw/zinc/84/14/99/393841499.db2.gz	WJHDZBSCWOXFCW-LLVKDONJSA-N	-1	0	298.346	2.660	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OC(C)C	ZINC000416940003	393945577	/nfs/dbraw/zinc/94/55/77/393945577.db2.gz	IEDGPYQWLRKCHT-NSHDSACASA-N	-1	0	282.365	2.518	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(C#N)cc1C(F)(F)F	ZINC000416427975	393919007	/nfs/dbraw/zinc/91/90/07/393919007.db2.gz	SAPLIWPKKIKCEV-ZETCQYMHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
N#Cc1nnc2ccccc2c1NCCCCCC(=O)[O-]	ZINC000416428014	393919230	/nfs/dbraw/zinc/91/92/30/393919230.db2.gz	ORJCIJXZOWIVNE-UHFFFAOYSA-N	-1	0	284.319	2.558	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])n1	ZINC000416443195	393919917	/nfs/dbraw/zinc/91/99/17/393919917.db2.gz	VJRVJOFOJHUYCX-LBPRGKRZSA-N	-1	0	275.352	2.953	20	30		CFEDRM
N#CCc1cccc(C(=O)NCCCCCCC(=O)[O-])c1	ZINC000262991366	393960750	/nfs/dbraw/zinc/96/07/50/393960750.db2.gz	OMCLDNLCVGRNPD-UHFFFAOYSA-N	-1	0	288.347	2.518	20	30		CFEDRM
CC1(C)CCC[C@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)C1	ZINC000130020277	394099001	/nfs/dbraw/zinc/09/90/01/394099001.db2.gz	WMPLIDNEBVLUMV-SNVBAGLBSA-N	-1	0	285.351	2.698	20	30		CFEDRM
C=CCN(CCC#N)C(=O)CCCc1ccc(O)c(F)c1	ZINC000359398099	394132108	/nfs/dbraw/zinc/13/21/08/394132108.db2.gz	ZBFYMPDMPIYLLM-UHFFFAOYSA-N	-1	0	290.338	2.782	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000685020320	542888451	/nfs/dbraw/zinc/88/84/51/542888451.db2.gz	ZUGZUYWCIORUOV-SJCJKPOMSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000644974564	395155446	/nfs/dbraw/zinc/15/54/46/395155446.db2.gz	QEVBMXIBUZLUGM-UHFFFAOYSA-N	-1	0	280.397	2.561	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000647597998	395395505	/nfs/dbraw/zinc/39/55/05/395395505.db2.gz	BEFTWUVUOHNNRJ-TUAOUCFPSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000183603728	543039773	/nfs/dbraw/zinc/03/97/73/543039773.db2.gz	KOGVBUISEKDFBI-UHFFFAOYSA-N	-1	0	257.692	2.833	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccs1	ZINC000356230866	155189283	/nfs/dbraw/zinc/18/92/83/155189283.db2.gz	WNUGFEICESCWNT-XQRVVYSFSA-N	-1	0	256.286	2.883	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc(OCC(=O)[O-])cc1	ZINC000352020023	154444367	/nfs/dbraw/zinc/44/43/67/154444367.db2.gz	FPWDWCUDIVKKIK-YVMONPNESA-N	-1	0	280.283	2.587	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)NC[C@H](C)C(=O)[O-]	ZINC000653545120	413359295	/nfs/dbraw/zinc/35/92/95/413359295.db2.gz	TUUAOTKFHCEOGV-NSHDSACASA-N	-1	0	276.336	2.647	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)s1	ZINC000020255767	171110336	/nfs/dbraw/zinc/11/03/36/171110336.db2.gz	ZQRUFIIRAWGDJD-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
N#Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000022239026	171381477	/nfs/dbraw/zinc/38/14/77/171381477.db2.gz	LDOHZRMPDYCJGT-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)C	ZINC000034607324	171845801	/nfs/dbraw/zinc/84/58/01/171845801.db2.gz	NEWVZWQJWRVDIO-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NCCCCCC(=O)[O-])n1	ZINC000035663948	172343450	/nfs/dbraw/zinc/34/34/50/172343450.db2.gz	OSNLPLZEWAPKSY-UHFFFAOYSA-N	-1	0	261.325	2.627	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CC1(C(=O)[O-])CCCCC1	ZINC000035721737	172377436	/nfs/dbraw/zinc/37/74/36/172377436.db2.gz	HNTLEHYITZUSSM-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000654810462	414003896	/nfs/dbraw/zinc/00/38/96/414003896.db2.gz	YLYMEJTXTPUMDK-GFCCVEGCSA-N	-1	0	282.384	2.770	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(C)(C)C)n2)n1	ZINC000654968930	414042906	/nfs/dbraw/zinc/04/29/06/414042906.db2.gz	UBXCNNQWCWUVRQ-SNVBAGLBSA-N	-1	0	288.376	2.893	20	30		CFEDRM
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000037377102	173166214	/nfs/dbraw/zinc/16/62/14/173166214.db2.gz	ISEINOLAJSQXOH-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1ccc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000037561774	173272559	/nfs/dbraw/zinc/27/25/59/173272559.db2.gz	IRBHGYJXHAMAGS-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000655555828	414323303	/nfs/dbraw/zinc/32/33/03/414323303.db2.gz	AFJRYVQCWQZILL-OLZOCXBDSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000655555829	414324574	/nfs/dbraw/zinc/32/45/74/414324574.db2.gz	AFJRYVQCWQZILL-QWHCGFSZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1	ZINC000659170197	414461364	/nfs/dbraw/zinc/46/13/64/414461364.db2.gz	RLTWLZHFRLLHDZ-AWEZNQCLSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000659183006	414463349	/nfs/dbraw/zinc/46/33/49/414463349.db2.gz	OTFSPPRSGMNALY-VXGBXAGGSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000659227896	414475017	/nfs/dbraw/zinc/47/50/17/414475017.db2.gz	GFDAVUYFRZHPFW-GASCZTMLSA-N	-1	0	285.343	2.637	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000655872941	414486739	/nfs/dbraw/zinc/48/67/39/414486739.db2.gz	SZSAYCUDDNSSEK-OCCSQVGLSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876774	414487082	/nfs/dbraw/zinc/48/70/82/414487082.db2.gz	SSDGGGUOIKQGFR-QNWHQSFQSA-N	-1	0	296.411	2.776	20	30		CFEDRM
C=CCN(CC=C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655908658	414492116	/nfs/dbraw/zinc/49/21/16/414492116.db2.gz	RLIQAONDVBKNPK-RWMBFGLXSA-N	-1	0	294.395	2.505	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1	ZINC000659409568	414516896	/nfs/dbraw/zinc/51/68/96/414516896.db2.gz	QCZHVROQSZVFNR-UONOGXRCSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000659407693	414517262	/nfs/dbraw/zinc/51/72/62/414517262.db2.gz	KSHTWJLLVHBFPT-UHFFFAOYSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659410647	414517964	/nfs/dbraw/zinc/51/79/64/414517964.db2.gz	XZLLOOMADWSDLN-YIYPIFLZSA-N	-1	0	294.395	2.674	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659423790	414519361	/nfs/dbraw/zinc/51/93/61/414519361.db2.gz	PJKJXUSEAVCCFS-OLZOCXBDSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CCCNC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1	ZINC000656588208	414611017	/nfs/dbraw/zinc/61/10/17/414611017.db2.gz	FZMUDUYUZLAKIS-CQSZACIVSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CCCC1(CNC(=O)N[C@H](CC)C(=O)[O-])CCCC1	ZINC000656589101	414611271	/nfs/dbraw/zinc/61/12/71/414611271.db2.gz	YOJGUWWETRYSRD-GFCCVEGCSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1	ZINC000663034888	414647329	/nfs/dbraw/zinc/64/73/29/414647329.db2.gz	VGVCZJSSDZLKPP-MRXNPFEDSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000663142903	414654763	/nfs/dbraw/zinc/65/47/63/414654763.db2.gz	ZONXSSPAELSQGC-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000663137477	414654939	/nfs/dbraw/zinc/65/49/39/414654939.db2.gz	IDGABSHZCITYIO-NSHDSACASA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000663137476	414654952	/nfs/dbraw/zinc/65/49/52/414654952.db2.gz	IDGABSHZCITYIO-LLVKDONJSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000040521803	174310556	/nfs/dbraw/zinc/31/05/56/174310556.db2.gz	XHMIILBXXCOKNA-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
CC(C)C[C@H](Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000043441642	175045693	/nfs/dbraw/zinc/04/56/93/175045693.db2.gz	GPIMVZKEXDESBZ-LBPRGKRZSA-N	-1	0	250.273	2.609	20	30		CFEDRM
CC(C)C[C@@H](Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000043441643	175045837	/nfs/dbraw/zinc/04/58/37/175045837.db2.gz	GPIMVZKEXDESBZ-GFCCVEGCSA-N	-1	0	250.273	2.609	20	30		CFEDRM
O=C(N=c1cn[n-]s1)NCCC1CCCCC1	ZINC000330203558	228064727	/nfs/dbraw/zinc/06/47/27/228064727.db2.gz	AWRWSPRPEVHYRU-UHFFFAOYSA-N	-1	0	254.359	2.834	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncc3c(C#N)c[nH]c3n2)c1	ZINC001243177151	782036996	/nfs/dbraw/zinc/03/69/96/782036996.db2.gz	FMHNBWLRHVOZND-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cccc(O)c1)C1CCCCC1	ZINC000040360496	260222415	/nfs/dbraw/zinc/22/24/15/260222415.db2.gz	IJZUMGMLPJNRBR-CQSZACIVSA-N	-1	0	258.321	2.594	20	30		CFEDRM
C=CC(C)(C)CNS(=O)(=O)c1cccc(C)c1F	ZINC000313230924	260266255	/nfs/dbraw/zinc/26/62/55/260266255.db2.gz	WRZCMKWIBJENNT-UHFFFAOYSA-N	-1	0	271.357	2.625	20	30		CFEDRM
C=CCC[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-]	ZINC000518110712	260342742	/nfs/dbraw/zinc/34/27/42/260342742.db2.gz	UQEXOPHFUFGOAX-MELADBBJSA-N	-1	0	294.395	2.674	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@H]3OCC[C@@H]32)c1	ZINC000155082151	261097623	/nfs/dbraw/zinc/09/76/23/261097623.db2.gz	ZYQBKKSKSHMMEL-FTTXBGJKSA-N	-1	0	290.319	2.677	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000318480471	261212565	/nfs/dbraw/zinc/21/25/65/261212565.db2.gz	BLPBPDNXMVQCEO-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
CCc1nn(C)c(CC)c1C/N=C/c1ccccc1O	ZINC000162332040	261277631	/nfs/dbraw/zinc/27/76/31/261277631.db2.gz	OHDMEEIIVGVTSD-LICLKQGHSA-N	-1	0	271.364	2.870	20	30		CFEDRM
C#C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000491230503	261381114	/nfs/dbraw/zinc/38/11/14/261381114.db2.gz	NFEPXFASZYTZQP-MLJKTZRHSA-N	-1	0	260.293	2.767	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000184602193	262287868	/nfs/dbraw/zinc/28/78/68/262287868.db2.gz	YLOLCQMIBKJMJF-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000337101785	262419759	/nfs/dbraw/zinc/41/97/59/262419759.db2.gz	WNOOLWGDZPIBDL-LBPRGKRZSA-N	-1	0	285.347	2.662	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCO1	ZINC000271927195	263000334	/nfs/dbraw/zinc/00/03/34/263000334.db2.gz	JMLPNYHQPPCDPK-RWZPWVAFSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CC(C)(C#N)CC(=O)N1CCCc2cccc(O)c21	ZINC000279568895	263056232	/nfs/dbraw/zinc/05/62/32/263056232.db2.gz	YLTASZPNYLNLKW-UHFFFAOYSA-N	-1	0	258.321	2.611	20	30		CFEDRM
C=C(C)CCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000452717564	263136292	/nfs/dbraw/zinc/13/62/92/263136292.db2.gz	LXUBEODJGBQEOT-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000296814170	263196759	/nfs/dbraw/zinc/19/67/59/263196759.db2.gz	GMPAPVUWCJSXMP-YUMQZZPRSA-N	-1	0	298.264	2.622	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1ccccc1OCC(F)F	ZINC000120305631	263284065	/nfs/dbraw/zinc/28/40/65/263284065.db2.gz	RRAMNZRFCPPSKH-UHFFFAOYSA-N	-1	0	291.319	2.648	20	30		CFEDRM
C=CCOc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000341505257	263339975	/nfs/dbraw/zinc/33/99/75/263339975.db2.gz	GCQAWJINBAYVBN-NSHDSACASA-N	-1	0	299.355	2.901	20	30		CFEDRM
CCCCCNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330634513	264000897	/nfs/dbraw/zinc/00/08/97/264000897.db2.gz	LKGATVKVFFIWKW-UHFFFAOYSA-N	-1	0	270.402	2.774	20	30		CFEDRM
Cc1cnc(C(=O)Nc2nnc(C(C)C)s2)c([O-])c1	ZINC000330873292	264059173	/nfs/dbraw/zinc/05/91/73/264059173.db2.gz	HTUCIAKEUCWNSQ-UHFFFAOYSA-N	-1	0	278.337	2.707	20	30		CFEDRM
CCC(CC)NC(=O)N=c1[n-]nc(CC(F)(F)F)s1	ZINC000331166529	264144669	/nfs/dbraw/zinc/14/46/69/264144669.db2.gz	MLIXCOLGYDEXPF-UHFFFAOYSA-N	-1	0	296.318	2.579	20	30		CFEDRM
C=CCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000356578170	266140620	/nfs/dbraw/zinc/14/06/20/266140620.db2.gz	JRTPVVVSRIAEBA-UHFFFAOYSA-N	-1	0	276.292	2.985	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000357662153	266342400	/nfs/dbraw/zinc/34/24/00/266342400.db2.gz	OCQAOVGIXVBURN-LLVKDONJSA-N	-1	0	280.287	2.658	20	30		CFEDRM
C=C(C)Cn1c(-c2ccoc2)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000358823933	266497212	/nfs/dbraw/zinc/49/72/12/266497212.db2.gz	DOEPWRRDWCGBAE-UHFFFAOYSA-N	-1	0	298.350	2.620	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])n1	ZINC000362502333	266997012	/nfs/dbraw/zinc/99/70/12/266997012.db2.gz	ZABTWQQXZCGNPQ-UHFFFAOYSA-N	-1	0	296.326	2.608	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000362937676	267063592	/nfs/dbraw/zinc/06/35/92/267063592.db2.gz	BTZTVXHOUSJUHM-NSHDSACASA-N	-1	0	294.424	2.731	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nccc(C#N)c2C)c1	ZINC001243178509	782039415	/nfs/dbraw/zinc/03/94/15/782039415.db2.gz	QOAJMTVNUNVNCV-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000094703527	279165623	/nfs/dbraw/zinc/16/56/23/279165623.db2.gz	AXEXNYAFQSPWGJ-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
C[C@@H](Oc1cccc(/C=C\c2ccc(C#N)cn2)c1)C(=O)[O-]	ZINC000255320913	281094009	/nfs/dbraw/zinc/09/40/09/281094009.db2.gz	UZMVGOUOOXYNEB-SMYYYNMVSA-N	-1	0	294.310	2.976	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000255597923	281102820	/nfs/dbraw/zinc/10/28/20/281102820.db2.gz	MJACIFLREOZXFF-WAYWQWQTSA-N	-1	0	295.254	2.730	20	30		CFEDRM
C[C@@H]1CCN(c2c(Cl)cccc2C#N)C[C@H]1C(=O)[O-]	ZINC000564085051	290191813	/nfs/dbraw/zinc/19/18/13/290191813.db2.gz	SGRVWBOHIKDPHA-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1C#N	ZINC000564572966	290216421	/nfs/dbraw/zinc/21/64/21/290216421.db2.gz	YPXRMHYUFQHRAQ-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C#N)c(C)n1	ZINC001243199976	782060297	/nfs/dbraw/zinc/06/02/97/782060297.db2.gz	FHZTVXPBKQZNPY-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2C)nc1	ZINC001243202942	782062818	/nfs/dbraw/zinc/06/28/18/782062818.db2.gz	KDMMJEJOFGEKPK-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cc(F)cnc1C#N	ZINC001243203868	782064511	/nfs/dbraw/zinc/06/45/11/782064511.db2.gz	PEGINJKFLCOSST-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(-c2nccc(F)c2C#N)ccc1C(=O)[O-]	ZINC001243212841	782074350	/nfs/dbraw/zinc/07/43/50/782074350.db2.gz	UGJLSGTYMHGRBJ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(-c2cccc(CC#N)n2)ccc1C(=O)[O-]	ZINC001243212860	782074541	/nfs/dbraw/zinc/07/45/41/782074541.db2.gz	UNSPKMJWQXYMAB-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(-c2cc(CC#N)cnc2F)ccc1C(=O)[O-]	ZINC001243216058	782076865	/nfs/dbraw/zinc/07/68/65/782076865.db2.gz	DBQLWMTYAAPJRG-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cc(Cl)ccc2O)C1	ZINC000531563054	328018207	/nfs/dbraw/zinc/01/82/07/328018207.db2.gz	LMUKSLXWBLBFBV-UHFFFAOYSA-N	-1	0	264.712	2.924	20	30		CFEDRM
C=CCCCCCNC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-]	ZINC000563351333	328057040	/nfs/dbraw/zinc/05/70/40/328057040.db2.gz	YYVMODKMLVMWEQ-IHRRRGAJSA-N	-1	0	294.395	2.628	20	30		CFEDRM
CC(C)[C@H](C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000270263116	328192745	/nfs/dbraw/zinc/19/27/45/328192745.db2.gz	WMQLXTFVEDDOMV-JTQLQIEISA-N	-1	0	288.244	2.721	20	30		CFEDRM
N#Cc1ccc(NS(=O)(=O)c2cccc(F)c2)c(F)c1	ZINC000165821918	322385887	/nfs/dbraw/zinc/38/58/87/322385887.db2.gz	QZPOSNVKUVFDER-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CC(C)c1n[n-]c(=NCC(C)(C)CCC#N)s1	ZINC000340936751	328402636	/nfs/dbraw/zinc/40/26/36/328402636.db2.gz	PCAYRZYQSRETMJ-UHFFFAOYSA-N	-1	0	252.387	2.825	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OC(C)(C)C	ZINC000416955325	328435417	/nfs/dbraw/zinc/43/54/17/328435417.db2.gz	MGDPDUJVJRYKLU-LLVKDONJSA-N	-1	0	296.392	2.908	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)ccc1C(=O)[O-]	ZINC000386936061	324485117	/nfs/dbraw/zinc/48/51/17/324485117.db2.gz	PUYGQVUTRRIYLA-UHFFFAOYSA-N	-1	0	295.298	2.521	20	30		CFEDRM
CCC[C@@H](CC)S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N	ZINC000581373141	325115189	/nfs/dbraw/zinc/11/51/89/325115189.db2.gz	KGOBWXQEGQEIGG-GFCCVEGCSA-N	-1	0	298.412	2.656	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2CC[C@H](C)C2)s1	ZINC000338507770	327004936	/nfs/dbraw/zinc/00/49/36/327004936.db2.gz	DXJKVPHQBADTSG-DTWKUNHWSA-N	-1	0	255.412	2.839	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000263517571	327074069	/nfs/dbraw/zinc/07/40/69/327074069.db2.gz	FMEGLPWTPFQHJS-RWMBFGLXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1cccc(CC#N)c1)C(=O)[O-]	ZINC000313440454	327130544	/nfs/dbraw/zinc/13/05/44/327130544.db2.gz	SSJQSCNBZVXPAP-UHFFFAOYSA-N	-1	0	288.347	2.972	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)c(C)c1	ZINC000042275909	327236711	/nfs/dbraw/zinc/23/67/11/327236711.db2.gz	FREXBWMGKYXBNN-UHFFFAOYSA-N	-1	0	267.350	2.749	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N(C)[C@H](C)C(=O)[O-])c1	ZINC000570583583	327602118	/nfs/dbraw/zinc/60/21/18/327602118.db2.gz	HZRXAJHNSGBBPQ-LLVKDONJSA-N	-1	0	292.335	2.578	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000393758901	329089463	/nfs/dbraw/zinc/08/94/63/329089463.db2.gz	IPELJPVIAJRNON-GXSJLCMTSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N[C@@](C)(CC)C(=O)[O-])c1	ZINC000582643988	329117377	/nfs/dbraw/zinc/11/73/77/329117377.db2.gz	NRWKEYCJTBUZIJ-HNNXBMFYSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N[C@](C)(CC)C(=O)[O-])c1	ZINC000582643991	329117406	/nfs/dbraw/zinc/11/74/06/329117406.db2.gz	NRWKEYCJTBUZIJ-OAHLLOKOSA-N	-1	0	292.335	2.626	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ocnc2C2CC2)n1	ZINC000582630921	329119453	/nfs/dbraw/zinc/11/94/53/329119453.db2.gz	ZSMBSOSHISFZKG-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000398194168	329437363	/nfs/dbraw/zinc/43/73/63/329437363.db2.gz	BXXXHSQTAZPIEE-STQMWFEESA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(-c2cccnc2)[n-]s1	ZINC000425222234	329641139	/nfs/dbraw/zinc/64/11/39/329641139.db2.gz	LMSFTMNQMFDMTA-UHFFFAOYSA-N	-1	0	288.376	2.563	20	30		CFEDRM
C=CCOCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000418903823	329682524	/nfs/dbraw/zinc/68/25/24/329682524.db2.gz	SCWUBUUBUAKYTM-UHFFFAOYSA-N	-1	0	277.368	2.545	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(Cc3ccccc3)s2)CCC1	ZINC000419014817	329703369	/nfs/dbraw/zinc/70/33/69/329703369.db2.gz	ADJGFUAERXWUHM-UHFFFAOYSA-N	-1	0	284.388	2.657	20	30		CFEDRM
C=CCCCCCn1cn[n-]c1=Nc1cccnc1	ZINC000419016563	329703606	/nfs/dbraw/zinc/70/36/06/329703606.db2.gz	DWTCUUVFCYSJIC-UHFFFAOYSA-N	-1	0	257.341	2.585	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(-c3ccccc3)s2)CCC1	ZINC000419019569	329703846	/nfs/dbraw/zinc/70/38/46/329703846.db2.gz	JLONJGIQZJBDMB-UHFFFAOYSA-N	-1	0	270.361	2.733	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000336796452	329944677	/nfs/dbraw/zinc/94/46/77/329944677.db2.gz	SLCWWBQJRVIWGJ-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CCc1ccccc1C(=O)[O-]	ZINC000262134496	330000421	/nfs/dbraw/zinc/00/04/21/330000421.db2.gz	HVGFFYMDTDCQGT-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000572380014	330021028	/nfs/dbraw/zinc/02/10/28/330021028.db2.gz	WGLJAXLXFTURET-GXSJLCMTSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000572380016	330021167	/nfs/dbraw/zinc/02/11/67/330021167.db2.gz	WGLJAXLXFTURET-MWLCHTKSSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000262788964	330031600	/nfs/dbraw/zinc/03/16/00/330031600.db2.gz	BQSVLGPYBAWUMW-WCQYABFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)CC(C)C)C(=O)[O-]	ZINC000262811590	330033340	/nfs/dbraw/zinc/03/33/40/330033340.db2.gz	DKJOLIICUNXZEP-LLVKDONJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000262879447	330036060	/nfs/dbraw/zinc/03/60/60/330036060.db2.gz	KKPWBRHNECDMNR-AWEZNQCLSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](c1ccccc1)C(C)C)C(=O)[O-]	ZINC000262887226	330036306	/nfs/dbraw/zinc/03/63/06/330036306.db2.gz	LDVJGUHGLKDSOL-CABCVRRESA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1ccc(C)s1)C(=O)[O-]	ZINC000262898666	330036324	/nfs/dbraw/zinc/03/63/24/330036324.db2.gz	MCJLWKZLSYLNFN-ZDUSSCGKSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000262955986	330037663	/nfs/dbraw/zinc/03/76/63/330037663.db2.gz	RFXXOKPEHYELRF-LLVKDONJSA-N	-1	0	279.336	2.554	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000263278297	330051628	/nfs/dbraw/zinc/05/16/28/330051628.db2.gz	NWJITUWRLCKAKY-OLZOCXBDSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-]	ZINC000263511066	330058380	/nfs/dbraw/zinc/05/83/80/330058380.db2.gz	CHRDWRQXCVUGRI-HNNXBMFYSA-N	-1	0	285.343	2.795	20	30		CFEDRM
C=CC(C)(C)CCN=c1[n-]c([C@@H](C)OC)ns1	ZINC000528075829	330305482	/nfs/dbraw/zinc/30/54/82/330305482.db2.gz	UPONAZGPGLWPJK-SECBINFHSA-N	-1	0	255.387	2.682	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(F)ccc1OC(C)C	ZINC000120166916	330385896	/nfs/dbraw/zinc/38/58/96/330385896.db2.gz	AJZLOISITJWFNP-UHFFFAOYSA-N	-1	0	287.356	2.931	20	30		CFEDRM
C=CC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000451810763	331043277	/nfs/dbraw/zinc/04/32/77/331043277.db2.gz	MBULSRCHQNIDSL-UHFFFAOYSA-N	-1	0	293.310	2.594	20	30		CFEDRM
C=C(C)CCNC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000454310571	331143941	/nfs/dbraw/zinc/14/39/41/331143941.db2.gz	BMZZIADTTWSVCV-UHFFFAOYSA-N	-1	0	282.413	2.951	20	30		CFEDRM
C#CCN(C(=O)NCCCCCC(=O)[O-])C1CCCCC1	ZINC000491426666	332209339	/nfs/dbraw/zinc/20/93/39/332209339.db2.gz	HGCFFECGWNYHQS-UHFFFAOYSA-N	-1	0	294.395	2.609	20	30		CFEDRM
C#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(F)cc1	ZINC000491814127	332365861	/nfs/dbraw/zinc/36/58/61/332365861.db2.gz	CMJJABIZXIMHOD-SECBINFHSA-N	-1	0	277.192	2.517	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccnc2C)n1	ZINC000178316005	333070924	/nfs/dbraw/zinc/07/09/24/333070924.db2.gz	UMWUTZNPXWEDGH-NSHDSACASA-N	-1	0	257.318	2.645	20	30		CFEDRM
N#C[C@@H](C(=O)c1cc(F)cc2nccnc21)c1ccccn1	ZINC000193590200	333253809	/nfs/dbraw/zinc/25/38/09/333253809.db2.gz	IDRWASUAVKLOFK-GFCCVEGCSA-N	-1	0	292.273	2.654	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1Cl	ZINC000231820432	333330238	/nfs/dbraw/zinc/33/02/38/333330238.db2.gz	UUWGVHAZGHKWAT-QMMMGPOBSA-N	-1	0	276.720	2.523	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-]	ZINC000315921481	333384447	/nfs/dbraw/zinc/38/44/47/333384447.db2.gz	PLKYQPUWPGIYMZ-NEPJUHHUSA-N	-1	0	293.388	2.704	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000316238114	333386411	/nfs/dbraw/zinc/38/64/11/333386411.db2.gz	XRAMIYMGBBZOJC-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C/c1ccc(C)cc1)C(=O)[O-]	ZINC000316356056	333388863	/nfs/dbraw/zinc/38/88/63/333388863.db2.gz	PGXDSEMBQGOEAS-VNDWYCCKSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)C(=O)[O-]	ZINC000567504575	333763409	/nfs/dbraw/zinc/76/34/09/333763409.db2.gz	UMATWKCRWUGNMW-RDBSUJKOSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCOCCSc1n[n-]c(=Nc2ccccc2)s1	ZINC000549298982	334189751	/nfs/dbraw/zinc/18/97/51/334189751.db2.gz	AOYLEKOUGAYVRP-UHFFFAOYSA-N	-1	0	293.417	2.998	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)o1	ZINC000551790776	334261723	/nfs/dbraw/zinc/26/17/23/334261723.db2.gz	GMETWSPUIQIROQ-LLVKDONJSA-N	-1	0	294.314	2.668	20	30		CFEDRM
C=CCCCCCNC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000565226032	334546277	/nfs/dbraw/zinc/54/62/77/334546277.db2.gz	UASLCYPJUBQCMS-UHFFFAOYSA-N	-1	0	291.347	2.626	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000262863699	334575848	/nfs/dbraw/zinc/57/58/48/334575848.db2.gz	IXPBCYNNDIRXBK-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
N#CCc1cncc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243324272	782138692	/nfs/dbraw/zinc/13/86/92/782138692.db2.gz	OQQMRSUKKIEKAE-UHFFFAOYSA-N	-1	0	273.679	2.561	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc([O-])c(F)c2F)cc1C#N	ZINC001243343301	782149444	/nfs/dbraw/zinc/14/94/44/782149444.db2.gz	ZNTFBEIUTUFCBP-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000262945865	534516123	/nfs/dbraw/zinc/51/61/23/534516123.db2.gz	MARDPPLJOQJQSF-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000262185390	534567332	/nfs/dbraw/zinc/56/73/32/534567332.db2.gz	PIHVAHAOMVIITO-HNNXBMFYSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000236795316	534569181	/nfs/dbraw/zinc/56/91/81/534569181.db2.gz	RTENNGNYUAITQD-AWEZNQCLSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCC1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CCC1	ZINC000263517941	534588025	/nfs/dbraw/zinc/58/80/25/534588025.db2.gz	FQPRDIHETTZOFX-AWEZNQCLSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=CCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000262601115	534605208	/nfs/dbraw/zinc/60/52/08/534605208.db2.gz	JXGXNPZLKFLRLA-UHFFFAOYSA-N	-1	0	281.739	2.719	20	30		CFEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C	ZINC000262965108	534618980	/nfs/dbraw/zinc/61/89/80/534618980.db2.gz	IHQMOTGXNNXULW-CQSZACIVSA-N	-1	0	261.321	2.512	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1	ZINC000191547247	534621795	/nfs/dbraw/zinc/62/17/95/534621795.db2.gz	LGMQZLCMCCYBTC-AWEZNQCLSA-N	-1	0	275.348	2.545	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230333869	524689207	/nfs/dbraw/zinc/68/92/07/524689207.db2.gz	NFCBSBIIVIGDNR-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000347782131	534851035	/nfs/dbraw/zinc/85/10/35/534851035.db2.gz	WTDOUWIOSOZZFK-SECBINFHSA-N	-1	0	288.376	2.962	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000050429796	526002622	/nfs/dbraw/zinc/00/26/22/526002622.db2.gz	BQKUUQHOPZDQOL-OLZOCXBDSA-N	-1	0	286.331	2.696	20	30		CFEDRM
CSc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000360235544	526134974	/nfs/dbraw/zinc/13/49/74/526134974.db2.gz	RORFOZKLXDVWAV-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1	ZINC000336338956	526561557	/nfs/dbraw/zinc/56/15/57/526561557.db2.gz	WKHLBWGHYMFNNS-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
N#Cc1ccnc(NCCCCCC(=O)[O-])c1Cl	ZINC000236428398	526760014	/nfs/dbraw/zinc/76/00/14/526760014.db2.gz	KLQYUXWINBOBAB-UHFFFAOYSA-N	-1	0	267.716	2.664	20	30		CFEDRM
CCCc1nc(C)c(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354467335	528717302	/nfs/dbraw/zinc/71/73/02/528717302.db2.gz	LBKRMISPHJLEKQ-JTQLQIEISA-N	-1	0	286.360	2.684	20	30		CFEDRM
CCC(CC)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C	ZINC000354482243	528909416	/nfs/dbraw/zinc/90/94/16/528909416.db2.gz	ZJGDZHOYMZMJNM-ZDUSSCGKSA-N	-1	0	297.362	2.833	20	30		CFEDRM
COCc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1	ZINC000435341819	536740731	/nfs/dbraw/zinc/74/07/31/536740731.db2.gz	BDKKZIVBDOOHOT-FLIBITNWSA-N	-1	0	295.342	2.657	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cnc3ccccc3n2)c1	ZINC000744555090	574080251	/nfs/dbraw/zinc/08/02/51/574080251.db2.gz	BIXNYODKKIJFJD-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
CCCCCCCCC(=O)N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000736983632	574091385	/nfs/dbraw/zinc/09/13/85/574091385.db2.gz	PZUDQLAOIWWNSV-CYBMUJFWSA-N	-1	0	284.400	2.996	20	30		CFEDRM
Cc1ccc(CC(N=Nc2nnc(C)c(=O)[n-]2)C(C)C)cc1	ZINC000741457247	574118350	/nfs/dbraw/zinc/11/83/50/574118350.db2.gz	OVMNRDYUDQDUOC-UHFFFAOYSA-N	-1	0	299.378	2.861	20	30		CFEDRM
CN(Cc1ccc(NC[C@@H](C#N)CCC#N)cc1)C(=O)[O-]	ZINC000737485839	574144108	/nfs/dbraw/zinc/14/41/08/574144108.db2.gz	HXDVGSDZTNKCEY-CYBMUJFWSA-N	-1	0	286.335	2.652	20	30		CFEDRM
CN(Cc1ccccc1F)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737491685	574145077	/nfs/dbraw/zinc/14/50/77/574145077.db2.gz	FNVCVCVIJVPBPK-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)c1cccc(Cl)c1	ZINC000737527219	574145748	/nfs/dbraw/zinc/14/57/48/574145748.db2.gz	FNBBESCCCPHJPY-SNVBAGLBSA-N	-1	0	281.739	2.543	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@@H]2c2ccccc2)[n-]c1=O	ZINC000732528252	574159808	/nfs/dbraw/zinc/15/98/08/574159808.db2.gz	UPQXMRUQGZJRTH-GFCCVEGCSA-N	-1	0	283.335	2.621	20	30		CFEDRM
CCn1cc(/C=C2/Oc3cc(O)cc(C)c3C2=O)cn1	ZINC000732530777	574160292	/nfs/dbraw/zinc/16/02/92/574160292.db2.gz	QZGHJVDUVPDBKX-WLRTZDKTSA-N	-1	0	270.288	2.533	20	30		CFEDRM
Cn1c(C=NNc2cccc(C(=O)[O-])c2)nc2ccccc21	ZINC000755464978	574163631	/nfs/dbraw/zinc/16/36/31/574163631.db2.gz	BICCDTQOGVHVJS-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
CCn1nc(C)c(C=NNc2cccc(C(=O)[O-])c2)c1C	ZINC000755465292	574163658	/nfs/dbraw/zinc/16/36/58/574163658.db2.gz	HUGWCMJDQPQWRY-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC(=O)[O-])cc1	ZINC000738429996	574168368	/nfs/dbraw/zinc/16/83/68/574168368.db2.gz	FJZZXJFZWJJMAK-UHFFFAOYSA-N	-1	0	299.246	2.695	20	30		CFEDRM
Cc1ccc(O)c(C=NNc2ccccc2C(=O)[O-])c1	ZINC000755601098	574170778	/nfs/dbraw/zinc/17/07/78/574170778.db2.gz	MIRCOBOOAJVBIF-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000738488987	574171199	/nfs/dbraw/zinc/17/11/99/574171199.db2.gz	PWQGWDXMXBTEQV-SNVBAGLBSA-N	-1	0	277.324	2.540	20	30		CFEDRM
CCCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755617146	574172362	/nfs/dbraw/zinc/17/23/62/574172362.db2.gz	GUPCNGMTGWMDFC-UHFFFAOYSA-N	-1	0	261.350	2.709	20	30		CFEDRM
N#CCCCCOC(=O)c1c(F)cc([O-])cc1F	ZINC000746984454	574174218	/nfs/dbraw/zinc/17/42/18/574174218.db2.gz	DOXYSJVCARRQFG-UHFFFAOYSA-N	-1	0	255.220	2.521	20	30		CFEDRM
Cc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738756573	574176601	/nfs/dbraw/zinc/17/66/01/574176601.db2.gz	MQNRVDDDSMKYLC-OAHLLOKOSA-N	-1	0	295.294	2.849	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2ccnc3ccccc32)c1	ZINC000755698420	574178392	/nfs/dbraw/zinc/17/83/92/574178392.db2.gz	FDWYXIPRSQEVAM-UHFFFAOYSA-N	-1	0	297.339	2.862	20	30		CFEDRM
CC(C)[C@H](C/N=C/c1cc(Cl)ccc1O)NC(=O)[O-]	ZINC000738773218	574183775	/nfs/dbraw/zinc/18/37/75/574183775.db2.gz	IURCUSZFSLOHKB-DMSFABOWSA-N	-1	0	284.743	2.757	20	30		CFEDRM
CC(C)N(CCC(=O)N(CCC#N)CC(C)(C)C)C(=O)[O-]	ZINC000738838123	574186948	/nfs/dbraw/zinc/18/69/48/574186948.db2.gz	IXPUPVQPRDHGMW-UHFFFAOYSA-N	-1	0	297.399	2.553	20	30		CFEDRM
C[C@@H](CC#N)OC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738891529	574189460	/nfs/dbraw/zinc/18/94/60/574189460.db2.gz	DHMRKEWYHDXETI-AAEUAGOBSA-N	-1	0	290.319	2.621	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCC1	ZINC000739065960	574196172	/nfs/dbraw/zinc/19/61/72/574196172.db2.gz	FSDXHNXUSCVDID-UHFFFAOYSA-N	-1	0	277.255	2.548	20	30		CFEDRM
N#Cc1c(Cl)nsc1NC1CCC(C(=O)[O-])CC1	ZINC000739093232	574197996	/nfs/dbraw/zinc/19/79/96/574197996.db2.gz	MZKVZFPEKHSSOX-UHFFFAOYSA-N	-1	0	285.756	2.723	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCN(C(=O)[O-])C2)cc1Cl	ZINC000739121459	574199145	/nfs/dbraw/zinc/19/91/45/574199145.db2.gz	QPBDDRJBMLTMMV-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)C2CCCCC2)C(=O)[O-])cc1	ZINC000739112010	574199202	/nfs/dbraw/zinc/19/92/02/574199202.db2.gz	XPOPQLHGVBRQSA-CQSZACIVSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739115911	574199283	/nfs/dbraw/zinc/19/92/83/574199283.db2.gz	WENPAQHPMUADDN-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1nnc2ccccc2c1Oc1cccc(C(=O)[O-])c1	ZINC000739145601	574199585	/nfs/dbraw/zinc/19/95/85/574199585.db2.gz	QIQSAQALWMFQKH-UHFFFAOYSA-N	-1	0	291.266	2.992	20	30		CFEDRM
C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739194347	574200512	/nfs/dbraw/zinc/20/05/12/574200512.db2.gz	QTQDZVOMBGAAAL-CABZTGNLSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CN(C[C@H]1CCN(c2ccc(Cl)cc2C#N)C1)C(=O)[O-]	ZINC000739665465	574222002	/nfs/dbraw/zinc/22/20/02/574222002.db2.gz	WLTQYGHHEJONFA-SNVBAGLBSA-N	-1	0	293.754	2.648	20	30		CFEDRM
Cc1ccc(N=NC2CCC[C@@H]2CNC(=O)[O-])cc1	ZINC000740138806	574239473	/nfs/dbraw/zinc/23/94/73/574239473.db2.gz	CGCIYXNFKRHHHE-LLVKDONJSA-N	-1	0	261.325	2.831	20	30		CFEDRM
O=C([O-])c1coc(CON=Cc2cccc(F)c2)c1	ZINC000740269718	574245069	/nfs/dbraw/zinc/24/50/69/574245069.db2.gz	WKPQSGSUUWJFEW-UHFFFAOYSA-N	-1	0	263.224	2.668	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NCCN(C(=O)[O-])C1CC1	ZINC000740315020	574246402	/nfs/dbraw/zinc/24/64/02/574246402.db2.gz	JLINGVDHVIBSES-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H]1CCCCN(C(=O)[O-])C1	ZINC000740311676	574246482	/nfs/dbraw/zinc/24/64/82/574246482.db2.gz	SUPUEZYUHZPKDQ-JTQLQIEISA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cnc(N[C@@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1	ZINC000740321680	574247300	/nfs/dbraw/zinc/24/73/00/574247300.db2.gz	GKTSDEDZEJGZIH-SNVBAGLBSA-N	-1	0	294.742	2.551	20	30		CFEDRM
CN(CC1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-]	ZINC000739665014	574254126	/nfs/dbraw/zinc/25/41/26/574254126.db2.gz	VUGVVLYOPDHZMV-UHFFFAOYSA-N	-1	0	291.326	2.524	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2ccnc3ccccc23)CC1	ZINC000740551807	574255304	/nfs/dbraw/zinc/25/53/04/574255304.db2.gz	VZNWYGCKAKJSTF-UHFFFAOYSA-N	-1	0	298.346	2.635	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cccs1	ZINC000756906079	574271803	/nfs/dbraw/zinc/27/18/03/574271803.db2.gz	SQZYGIVVIDVNIM-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
CCCCCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905457	574272029	/nfs/dbraw/zinc/27/20/29/574272029.db2.gz	AJZYPONTLMRPQS-UHFFFAOYSA-N	-1	0	250.298	2.981	20	30		CFEDRM
Cc1ccc(O)c(C=NNc2cc(F)c(F)cc2F)n1	ZINC000734301578	574280756	/nfs/dbraw/zinc/28/07/56/574280756.db2.gz	GBOSCDOKFHRYLG-UHFFFAOYSA-N	-1	0	281.237	2.959	20	30		CFEDRM
CC(C)(C)[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000749402011	574293607	/nfs/dbraw/zinc/29/36/07/574293607.db2.gz	IGMDDXDDEAVNOG-SCSAIBSYSA-N	-1	0	283.187	2.980	20	30		CFEDRM
COc1cc(C(C)=NOCC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000749636803	574303561	/nfs/dbraw/zinc/30/35/61/574303561.db2.gz	RZGXDFZHWARBPG-UHFFFAOYSA-N	-1	0	282.296	2.706	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccn1	ZINC000734963494	574308388	/nfs/dbraw/zinc/30/83/88/574308388.db2.gz	BPJSUHLGNCNRPU-UHFFFAOYSA-N	-1	0	298.408	2.637	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)cc2)[nH]1	ZINC000749806817	574310207	/nfs/dbraw/zinc/31/02/07/574310207.db2.gz	GUODYOBQXXLFAB-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2nccc3sccc32)[nH]1	ZINC000749816183	574310752	/nfs/dbraw/zinc/31/07/52/574310752.db2.gz	XUQOQABOPKVWLC-UHFFFAOYSA-N	-1	0	286.316	2.769	20	30		CFEDRM
C=CC[C@H](C)C(C)N=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000735409768	574322874	/nfs/dbraw/zinc/32/28/74/574322874.db2.gz	KVJRAFYJBJZDFZ-JTQLQIEISA-N	-1	0	270.340	2.867	20	30		CFEDRM
C=CCCCOc1ccc(-c2nn[nH]n2)cc1OCC	ZINC000735413672	574322879	/nfs/dbraw/zinc/32/28/79/574322879.db2.gz	XDXBTCIPWJCOPX-UHFFFAOYSA-N	-1	0	274.324	2.610	20	30		CFEDRM
C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CNC(=O)[O-])CC1	ZINC000739055946	574335754	/nfs/dbraw/zinc/33/57/54/574335754.db2.gz	YNZSMWDJANBHQN-LBPRGKRZSA-N	-1	0	287.363	2.599	20	30		CFEDRM
[O-]c1c(F)cc(C=NO[C@H]2CCCCO2)cc1F	ZINC000755822849	574349772	/nfs/dbraw/zinc/34/97/72/574349772.db2.gz	VOLSGTNBZHNRBZ-NSHDSACASA-N	-1	0	257.236	2.548	20	30		CFEDRM
C=CCCOCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736107940	574350200	/nfs/dbraw/zinc/35/02/00/574350200.db2.gz	BMBPLRNAGZKOQQ-CYBMUJFWSA-N	-1	0	298.722	2.602	20	30		CFEDRM
C=CCCOCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000736108214	574350331	/nfs/dbraw/zinc/35/03/31/574350331.db2.gz	NOMJZLWRNRNYQI-UHFFFAOYSA-N	-1	0	283.711	2.569	20	30		CFEDRM
C=CCCOCc1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000736107970	574350400	/nfs/dbraw/zinc/35/04/00/574350400.db2.gz	DFSHLWGHGSBKQY-UHFFFAOYSA-N	-1	0	274.276	2.528	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736094530	574350716	/nfs/dbraw/zinc/35/07/16/574350716.db2.gz	JUAZGILYZXLKOF-UHFFFAOYSA-N	-1	0	283.328	2.778	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000736097233	574351191	/nfs/dbraw/zinc/35/11/91/574351191.db2.gz	YPWWCEIHAXVDHG-SECBINFHSA-N	-1	0	263.297	2.863	20	30		CFEDRM
C=CCCCN(C)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000736098069	574351286	/nfs/dbraw/zinc/35/12/86/574351286.db2.gz	QPWXRNGAHVXBGY-UHFFFAOYSA-N	-1	0	278.352	2.622	20	30		CFEDRM
CCCCCCCCC(=O)NC1(c2nnn[n-]2)CCCC1	ZINC000736161216	574352645	/nfs/dbraw/zinc/35/26/45/574352645.db2.gz	UWTXKERKKHVEMP-UHFFFAOYSA-N	-1	0	293.415	2.836	20	30		CFEDRM
C[C@H](C#N)CSc1ccccc1N[C@@H](C)C(=O)[O-]	ZINC000736201530	574354153	/nfs/dbraw/zinc/35/41/53/574354153.db2.gz	HPPZGJXEICLNHT-ZJUUUORDSA-N	-1	0	264.350	2.823	20	30		CFEDRM
CC(C)c1ccc(NC(=O)[C@H](C)C#N)c(C(=O)[O-])c1	ZINC000736201512	574354313	/nfs/dbraw/zinc/35/43/13/574354313.db2.gz	HOUXXFBPSZAOAZ-SECBINFHSA-N	-1	0	260.293	2.606	20	30		CFEDRM
CC(C)(C)/C=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250017	574357153	/nfs/dbraw/zinc/35/71/53/574357153.db2.gz	FPPGSGTXANWSCW-CKXPSTMWSA-N	-1	0	287.315	2.829	20	30		CFEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]2C)o1	ZINC000736259576	574358175	/nfs/dbraw/zinc/35/81/75/574358175.db2.gz	FHGBQVVZVQQGBU-QMMMGPOBSA-N	-1	0	289.343	2.566	20	30		CFEDRM
COc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000750921898	574362842	/nfs/dbraw/zinc/36/28/42/574362842.db2.gz	LTHRJZCYGBWDQN-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000398198757	574363513	/nfs/dbraw/zinc/36/35/13/574363513.db2.gz	DPOJZYZTUYBFSM-OLZOCXBDSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])C(C)(C)C	ZINC000398202190	574363579	/nfs/dbraw/zinc/36/35/79/574363579.db2.gz	FZLZHUHORBAPHQ-MNOVXSKESA-N	-1	0	270.373	2.530	20	30		CFEDRM
COc1ccc(NN=C2Oc3cc([O-])cc(C)c3C2=O)cc1	ZINC000750946517	574365273	/nfs/dbraw/zinc/36/52/73/574365273.db2.gz	SBYIBSOFZKKQEN-UHFFFAOYSA-N	-1	0	298.298	2.710	20	30		CFEDRM
C=CCCCC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000825671469	601450579	/nfs/dbraw/zinc/45/05/79/601450579.db2.gz	PTXPIRGRBNMHCL-MRXNPFEDSA-N	-1	0	275.348	2.849	20	30		CFEDRM
CCOc1cccc(/C=N\[C@H](CC(C)C)C(=O)[O-])c1O	ZINC000818251182	597016170	/nfs/dbraw/zinc/01/61/70/597016170.db2.gz	RQPCLKFZDODKOL-DZZSIBQASA-N	-1	0	279.336	2.709	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\[C@H](CC(C)C)C(=O)[O-])c1	ZINC000818244775	597016530	/nfs/dbraw/zinc/01/65/30/597016530.db2.gz	LJJKUNHQOTWFBU-WPBJZHHJSA-N	-1	0	279.336	2.709	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000108847232	597499830	/nfs/dbraw/zinc/49/98/30/597499830.db2.gz	CNMKDBZSFDWGII-LBPRGKRZSA-N	-1	0	255.358	2.670	20	30		CFEDRM
CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCCCC1	ZINC000819832853	597605866	/nfs/dbraw/zinc/60/58/66/597605866.db2.gz	DIHJQYFXCNFLRM-MRXNPFEDSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CCc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1C	ZINC000820480064	597607644	/nfs/dbraw/zinc/60/76/44/597607644.db2.gz	QOCMNCOZCGJHFL-HNNXBMFYSA-N	-1	0	274.320	2.501	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1csc2ccccc12	ZINC000819857473	597610418	/nfs/dbraw/zinc/61/04/18/597610418.db2.gz	XPAUMFYSVWFHGH-CQSZACIVSA-N	-1	0	288.328	2.844	20	30		CFEDRM
O=C([O-])CCNN=Cc1ccc(-c2cccs2)cc1F	ZINC000821525080	597739819	/nfs/dbraw/zinc/73/98/19/597739819.db2.gz	XZRMPKPOTWYXHN-UHFFFAOYSA-N	-1	0	292.335	2.952	20	30		CFEDRM
CC1(C)C(=NNCCC(=O)[O-])C[C@@H]1c1ccccc1	ZINC000820206195	597741985	/nfs/dbraw/zinc/74/19/85/597741985.db2.gz	SSSORLBFJJHILP-GFCCVEGCSA-N	-1	0	260.337	2.620	20	30		CFEDRM
N#Cc1cccc(CNc2cccc(CC(=O)[O-])c2)c1F	ZINC000821340582	597747075	/nfs/dbraw/zinc/74/70/75/597747075.db2.gz	ONLOLWKWMXOKDK-UHFFFAOYSA-N	-1	0	284.290	2.937	20	30		CFEDRM
Cc1ccnc(NCc2ccc(C(=O)[O-])cc2)c1C#N	ZINC000135040974	597783075	/nfs/dbraw/zinc/78/30/75/597783075.db2.gz	DUHRRWSRZMUKGE-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000814683961	598095168	/nfs/dbraw/zinc/09/51/68/598095168.db2.gz	XYEYSBLBYHHYPG-UHFFFAOYSA-N	-1	0	277.280	2.638	20	30		CFEDRM
Cc1ccc([N+](=O)[O-])cc1N=NC1CCC(C(=O)[O-])CC1	ZINC000814823893	598096970	/nfs/dbraw/zinc/09/69/70/598096970.db2.gz	AVJGMINPRWNSRI-UHFFFAOYSA-N	-1	0	291.307	2.946	20	30		CFEDRM
C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000820129908	598154336	/nfs/dbraw/zinc/15/43/36/598154336.db2.gz	RXMKKJUHZLKCJH-NSHDSACASA-N	-1	0	294.310	2.747	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000821340417	598181052	/nfs/dbraw/zinc/18/10/52/598181052.db2.gz	HIHIEJTZKOWSGR-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
O=C([O-])c1cccc(C=Nn2cnnc2-c2ccccc2)c1	ZINC000814779819	598201389	/nfs/dbraw/zinc/20/13/89/598201389.db2.gz	TXAPMPHLOBOAAL-UHFFFAOYSA-N	-1	0	292.298	2.526	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1cccc(OCCCC#N)c1	ZINC000820089053	598217540	/nfs/dbraw/zinc/21/75/40/598217540.db2.gz	KISZIKIITSZLAR-LLVKDONJSA-N	-1	0	262.309	2.644	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2ccccc21	ZINC000819857153	598221544	/nfs/dbraw/zinc/22/15/44/598221544.db2.gz	SRMOBSIZWKKBQS-INIZCTEOSA-N	-1	0	282.299	2.783	20	30		CFEDRM
CCCCc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820317207	598221616	/nfs/dbraw/zinc/22/16/16/598221616.db2.gz	NPRXZWFUEBGVRE-INIZCTEOSA-N	-1	0	288.347	2.972	20	30		CFEDRM
Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c(Cl)c1	ZINC000821088556	598221734	/nfs/dbraw/zinc/22/17/34/598221734.db2.gz	YTUGDTGPTBUYCK-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819713344	598227414	/nfs/dbraw/zinc/22/74/14/598227414.db2.gz	KTZGXPVLBWBMOH-INIZCTEOSA-N	-1	0	292.379	2.586	20	30		CFEDRM
CC(C)c1ccc(N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820057600	598230697	/nfs/dbraw/zinc/23/06/97/598230697.db2.gz	PGFYRCPWNPNRHL-INIZCTEOSA-N	-1	0	288.347	2.777	20	30		CFEDRM
N#Cc1cc(NC(=O)c2ccc(C(=O)[O-])s2)ccc1F	ZINC000051638688	599844013	/nfs/dbraw/zinc/84/40/13/599844013.db2.gz	APCYATLUZCXBNU-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000163158077	600269748	/nfs/dbraw/zinc/26/97/48/600269748.db2.gz	JGNNKFNLGZRLAF-SNVBAGLBSA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000161197421	600277742	/nfs/dbraw/zinc/27/77/42/600277742.db2.gz	PCCJTGBACABMFC-UHFFFAOYSA-N	-1	0	268.700	2.567	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000063009187	600395383	/nfs/dbraw/zinc/39/53/83/600395383.db2.gz	WHXNZJHGQWWAQZ-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCCOc1ccc(C#N)cc1	ZINC000090097484	600583986	/nfs/dbraw/zinc/58/39/86/600583986.db2.gz	XTUDYPALTSYEJM-SNVBAGLBSA-N	-1	0	265.334	2.533	20	30		CFEDRM
C#CCCCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000825605850	600822564	/nfs/dbraw/zinc/82/25/64/600822564.db2.gz	TZFPVECMFCRJLY-UHFFFAOYSA-N	-1	0	289.360	2.832	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000825636499	600929627	/nfs/dbraw/zinc/92/96/27/600929627.db2.gz	LXVSYMWLDLXFCR-ZIAGYGMSSA-N	-1	0	285.343	2.522	20	30		CFEDRM
Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000832943625	601065267	/nfs/dbraw/zinc/06/52/67/601065267.db2.gz	BCEZUCTVMXOOHW-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
N#CCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000111476045	601126044	/nfs/dbraw/zinc/12/60/44/601126044.db2.gz	YOUXOSDNKQTAIQ-QWHCGFSZSA-N	-1	0	286.331	2.582	20	30		CFEDRM
N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C1CCCCC1	ZINC000821319952	601139543	/nfs/dbraw/zinc/13/95/43/601139543.db2.gz	CGZGGBWLMSEYSW-CQSZACIVSA-N	-1	0	286.331	2.587	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C1CC1	ZINC000825600372	601143485	/nfs/dbraw/zinc/14/34/85/601143485.db2.gz	LRMVFWRQNPJDHV-CYBMUJFWSA-N	-1	0	273.288	2.735	20	30		CFEDRM
C=CCCCC(=O)N(CC(=O)[O-])c1cccc(F)c1	ZINC000825664552	601144450	/nfs/dbraw/zinc/14/44/50/601144450.db2.gz	DTZACAZRRRJXMX-UHFFFAOYSA-N	-1	0	265.284	2.600	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc(NC(=O)[O-])cc1	ZINC000833076491	601225642	/nfs/dbraw/zinc/22/56/42/601225642.db2.gz	HLCSIQMDRHIUKS-UHFFFAOYSA-N	-1	0	254.249	2.787	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000161919267	601243300	/nfs/dbraw/zinc/24/33/00/601243300.db2.gz	QVSAYXAOPCUDFA-UHFFFAOYSA-N	-1	0	288.347	2.536	20	30		CFEDRM
N#Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)s1	ZINC000833070492	601276760	/nfs/dbraw/zinc/27/67/60/601276760.db2.gz	JBNJUFOKWABOPK-UHFFFAOYSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)s2)c(C(=O)[O-])c1	ZINC000832947860	601277310	/nfs/dbraw/zinc/27/73/10/601277310.db2.gz	HLEQNTIKTCLWQH-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1ccnc(C(=O)[O-])c1	ZINC000825671219	601289669	/nfs/dbraw/zinc/28/96/69/601289669.db2.gz	HDPXHLHSZVCJIE-UHFFFAOYSA-N	-1	0	276.336	2.598	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)ccc1O	ZINC000832859245	601331708	/nfs/dbraw/zinc/33/17/08/601331708.db2.gz	MYCGUILHHDBATP-QPJJXVBHSA-N	-1	0	271.272	2.623	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\COc3c(F)cccc3C2=O)[nH]1	ZINC000833312115	601332003	/nfs/dbraw/zinc/33/20/03/601332003.db2.gz	JQIZXCYZOXWVPN-SOFGYWHQSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Oc3ccc(Cl)cc3C2=O)[nH]1	ZINC000833312641	601332136	/nfs/dbraw/zinc/33/21/36/601332136.db2.gz	SHTISOUVDZBPNY-SDQBBNPISA-N	-1	0	289.674	2.983	20	30		CFEDRM
CC(C)(C#N)CCCOc1ccc(C(=O)[O-])cc1C=O	ZINC000826072047	601346558	/nfs/dbraw/zinc/34/65/58/601346558.db2.gz	RPTFVTWDGXAFHY-UHFFFAOYSA-N	-1	0	275.304	2.906	20	30		CFEDRM
CCCCC[C@H](/N=C/c1cccc(OC)c1O)C(=O)[O-]	ZINC000829312365	601365388	/nfs/dbraw/zinc/36/53/88/601365388.db2.gz	VLKRYRLIBWSDFE-SEJMYLSOSA-N	-1	0	279.336	2.853	20	30		CFEDRM
C=CCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000825671668	601437917	/nfs/dbraw/zinc/43/79/17/601437917.db2.gz	ZPAKBTKVTMIWLU-AWEZNQCLSA-N	-1	0	275.348	2.636	20	30		CFEDRM
N#Cc1csc(/C=C/c2ccc(C(=O)[O-])cn2)c1	ZINC000833078421	601444890	/nfs/dbraw/zinc/44/48/90/601444890.db2.gz	JODYZMFHMBCELV-ONEGZZNKSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc(C#N)s1)c1ccc(C(=O)[O-])o1	ZINC000827854263	601468878	/nfs/dbraw/zinc/46/88/78/601468878.db2.gz	UDYUQCOUFIGNEJ-SSDOTTSWSA-N	-1	0	291.284	2.829	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2cccc(F)c2C(=O)[O-])c1	ZINC000833078042	601557612	/nfs/dbraw/zinc/55/76/12/601557612.db2.gz	AZRPBVPNWMQWQX-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
C[C@H](SCC#Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000827902174	601576920	/nfs/dbraw/zinc/57/69/20/601576920.db2.gz	FUESZVMAOVIMGC-VIFPVBQESA-N	-1	0	254.738	2.898	20	30		CFEDRM
CCCCCCCCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1	ZINC000111249188	601698885	/nfs/dbraw/zinc/69/88/85/601698885.db2.gz	WOAOTBRETYRCJY-QWHCGFSZSA-N	-1	0	269.385	2.916	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc(F)c2)c[nH]1	ZINC000833092683	601791459	/nfs/dbraw/zinc/79/14/59/601791459.db2.gz	JTWPYMFEDLTGFS-SNAWJCMRSA-N	-1	0	259.236	2.748	20	30		CFEDRM
Cc1cc(C)c2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)CO2	ZINC000832875392	601793187	/nfs/dbraw/zinc/79/31/87/601793187.db2.gz	WWPCYCQDCFGTTQ-LFYBBSHMSA-N	-1	0	297.310	2.988	20	30		CFEDRM
CCc1ccccc1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814801226	601797168	/nfs/dbraw/zinc/79/71/68/601797168.db2.gz	BJBHRVYBVJMRNP-UHFFFAOYSA-N	-1	0	257.293	2.721	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1	ZINC000832419593	601825743	/nfs/dbraw/zinc/82/57/43/601825743.db2.gz	QEQIFJKSJOPIJY-DJWKRKHSSA-N	-1	0	288.255	2.588	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832952941	601826064	/nfs/dbraw/zinc/82/60/64/601826064.db2.gz	HVWSALLRUZHZCJ-HWKANZROSA-N	-1	0	271.272	2.623	20	30		CFEDRM
Cc1ccc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)nc1	ZINC000794901863	602073775	/nfs/dbraw/zinc/07/37/75/602073775.db2.gz	JHAFMIFFTVIPSU-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
CCC(CC)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794908007	602075028	/nfs/dbraw/zinc/07/50/28/602075028.db2.gz	HEWZAOCUEJAESP-NSHDSACASA-N	-1	0	278.352	2.651	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000229755148	602198965	/nfs/dbraw/zinc/19/89/65/602198965.db2.gz	FSJIRGFWSBRIBC-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000229760813	602199178	/nfs/dbraw/zinc/19/91/78/602199178.db2.gz	UVTUIWPEHDMTGJ-UHFFFAOYSA-N	-1	0	296.273	2.588	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000229756628	602208618	/nfs/dbraw/zinc/20/86/18/602208618.db2.gz	ZRBHBQQJBVSOLA-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
Cc1cn(Cc2ccc(F)cc2C(=O)[O-])cc1C#N	ZINC000832985708	602301563	/nfs/dbraw/zinc/30/15/63/602301563.db2.gz	YKZPIALZFXOSIP-UHFFFAOYSA-N	-1	0	258.252	2.554	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000825671564	602392643	/nfs/dbraw/zinc/39/26/43/602392643.db2.gz	ULUZULOWAOFVTG-UHFFFAOYSA-N	-1	0	251.257	2.819	20	30		CFEDRM
C#CCCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823445380	603064198	/nfs/dbraw/zinc/06/41/98/603064198.db2.gz	YOVTYVYEZSRXJE-UHFFFAOYSA-N	-1	0	280.711	2.573	20	30		CFEDRM
CN(C[C@H]1CCN(c2c(Cl)cccc2C#N)C1)C(=O)[O-]	ZINC000828266846	603185848	/nfs/dbraw/zinc/18/58/48/603185848.db2.gz	JFXUAEAZSFEYIK-SNVBAGLBSA-N	-1	0	293.754	2.648	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823500688	603214273	/nfs/dbraw/zinc/21/42/73/603214273.db2.gz	KEAZPCVHHWUKGS-UHFFFAOYSA-N	-1	0	274.320	2.899	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1	ZINC000831122241	603442998	/nfs/dbraw/zinc/44/29/98/603442998.db2.gz	ALNNWUFNAMODII-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccccc1CC)C(=O)[O-]	ZINC000900322339	620661631	/nfs/dbraw/zinc/66/16/31/620661631.db2.gz	KVIHRTVQMXIUPB-ZDUSSCGKSA-N	-1	0	276.336	2.790	20	30		CFEDRM
CC(C)C[C@H](NC(=O)[O-])c1noc(C2(C#N)CCCC2)n1	ZINC000824216960	603767069	/nfs/dbraw/zinc/76/70/69/603767069.db2.gz	ASMOHPTWWDZHJC-JTQLQIEISA-N	-1	0	292.339	2.760	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccccc1CN(CC)C(=O)[O-]	ZINC000823490845	603767440	/nfs/dbraw/zinc/76/74/40/603767440.db2.gz	MHHJQCKYJOIBFE-LLVKDONJSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000900355423	620663977	/nfs/dbraw/zinc/66/39/77/620663977.db2.gz	MNIFUJIKXNQXHM-UHFFFAOYSA-N	-1	0	274.320	2.801	20	30		CFEDRM
C#Cc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1	ZINC000900355952	620664000	/nfs/dbraw/zinc/66/40/00/620664000.db2.gz	WWZSIEUXXAMXNB-UHFFFAOYSA-N	-1	0	286.331	2.577	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1	ZINC000823496507	603869037	/nfs/dbraw/zinc/86/90/37/603869037.db2.gz	KKBYDHYPOKJGFH-KBPBESRZSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=CCC(CC=C)C(=O)OC[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490754	604069622	/nfs/dbraw/zinc/06/96/22/604069622.db2.gz	KRGARCYVUJKICV-LBPRGKRZSA-N	-1	0	281.352	2.688	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000823445410	604083643	/nfs/dbraw/zinc/08/36/43/604083643.db2.gz	ZUSKAAPZNOCQHB-UHFFFAOYSA-N	-1	0	275.308	2.702	20	30		CFEDRM
CCC[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(C#N)cc1	ZINC000826757151	604161446	/nfs/dbraw/zinc/16/14/46/604161446.db2.gz	DFVNQWXRNXBKTI-ZWNOBZJWSA-N	-1	0	290.319	2.599	20	30		CFEDRM
C=CCCOC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823496929	604232286	/nfs/dbraw/zinc/23/22/86/604232286.db2.gz	SYTXRLDDCVRQLX-YPMHNXCESA-N	-1	0	277.320	2.751	20	30		CFEDRM
C=C1CCN(C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823485674	604339339	/nfs/dbraw/zinc/33/93/39/604339339.db2.gz	IGNWTKPRFUZENF-UONOGXRCSA-N	-1	0	294.395	2.581	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H]2CC(=O)[O-])nc2ccccc12	ZINC000068769313	604467400	/nfs/dbraw/zinc/46/74/00/604467400.db2.gz	XMEMWKPZOXCJHG-GFCCVEGCSA-N	-1	0	281.315	2.550	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)OCC	ZINC000833366914	604537241	/nfs/dbraw/zinc/53/72/41/604537241.db2.gz	FUCYPOKUCYAIRE-CYBMUJFWSA-N	-1	0	277.320	2.695	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)OCC	ZINC000833367673	604539740	/nfs/dbraw/zinc/53/97/40/604539740.db2.gz	QRRLGZRZLVRNNS-CYBMUJFWSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)OCC	ZINC000819706047	604553398	/nfs/dbraw/zinc/55/33/98/604553398.db2.gz	KRVNAIBPOKVHOW-CYBMUJFWSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cc(C(=O)[O-])cs1)OCC	ZINC000833367748	604566538	/nfs/dbraw/zinc/56/65/38/604566538.db2.gz	SVCJXGIQKBGYFW-SNVBAGLBSA-N	-1	0	283.349	2.756	20	30		CFEDRM
C#Cc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)nc1	ZINC000825636573	604580693	/nfs/dbraw/zinc/58/06/93/604580693.db2.gz	NHCWTPPLIBATJK-SNVBAGLBSA-N	-1	0	299.282	2.581	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1)OCC	ZINC000833368382	604596710	/nfs/dbraw/zinc/59/67/10/604596710.db2.gz	GMAVBBRDIRWMOD-UKRRQHHQSA-N	-1	0	292.331	2.727	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1cccc(C(=O)[O-])c1)OCC	ZINC000833368388	604603701	/nfs/dbraw/zinc/60/37/01/604603701.db2.gz	GSCPSYVTIYLXDI-CYBMUJFWSA-N	-1	0	278.304	2.662	20	30		CFEDRM
CC1CC(C#N)(C(=O)OCc2ccc(F)cc2C(=O)[O-])C1	ZINC000828156171	604603944	/nfs/dbraw/zinc/60/39/44/604603944.db2.gz	DZVHWIKNTVNUDG-UHFFFAOYSA-N	-1	0	291.278	2.507	20	30		CFEDRM
CC(C)N(Cc1cccc(C(=O)[O-])c1C#N)CC(F)F	ZINC000833497424	604614714	/nfs/dbraw/zinc/61/47/14/604614714.db2.gz	AXFTVPZGZBKDOH-UHFFFAOYSA-N	-1	0	282.290	2.732	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1sccc1C(=O)[O-])OCC	ZINC000833368407	604614730	/nfs/dbraw/zinc/61/47/30/604614730.db2.gz	HGGVVJJLXZZLEO-SNVBAGLBSA-N	-1	0	283.349	2.756	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1	ZINC000220150207	604626171	/nfs/dbraw/zinc/62/61/71/604626171.db2.gz	AHNRCPLJJSVOIT-RUDMXATFSA-N	-1	0	268.268	2.987	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833019646	604630973	/nfs/dbraw/zinc/63/09/73/604630973.db2.gz	BARMXOJYWVLKKN-FPLPWBNLSA-N	-1	0	271.272	2.886	20	30		CFEDRM
CN(Cc1cc(C#N)cs1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000833694866	604645448	/nfs/dbraw/zinc/64/54/48/604645448.db2.gz	TYUWHMJZYMLYAV-CQSZACIVSA-N	-1	0	286.356	2.877	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C#N)cc1F	ZINC000232362461	604648592	/nfs/dbraw/zinc/64/85/92/604648592.db2.gz	DWZLTXZWEWQHJB-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
Cc1cc(COc2ccc(C#N)cc2F)oc1C(=O)[O-]	ZINC000232362651	604648595	/nfs/dbraw/zinc/64/85/95/604648595.db2.gz	ZPDNKQVAKDCKMK-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccs1	ZINC000763369716	604668546	/nfs/dbraw/zinc/66/85/46/604668546.db2.gz	WONLXLUWYSBNSH-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCC2	ZINC000042343222	620676171	/nfs/dbraw/zinc/67/61/71/620676171.db2.gz	AGNDFLMRLYQNHX-UHFFFAOYSA-N	-1	0	281.377	2.610	20	30		CFEDRM
C=CCCC(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833373455	604700133	/nfs/dbraw/zinc/70/01/33/604700133.db2.gz	PTJAOTLTXROQSG-UHFFFAOYSA-N	-1	0	252.241	2.533	20	30		CFEDRM
O=C([O-])[C@H]1CCCCN1CC#Cc1cccc(Cl)c1	ZINC000833188794	604797170	/nfs/dbraw/zinc/79/71/70/604797170.db2.gz	IWFVGUUXRMVILQ-CQSZACIVSA-N	-1	0	277.751	2.631	20	30		CFEDRM
C=CCCCC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000833373000	604866533	/nfs/dbraw/zinc/86/65/33/604866533.db2.gz	CSOJXHDYNXGSLU-UHFFFAOYSA-N	-1	0	253.342	2.589	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)C1CC1	ZINC000162394918	604916110	/nfs/dbraw/zinc/91/61/10/604916110.db2.gz	NFRISFVONWJCMW-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CC1	ZINC000162380889	604918713	/nfs/dbraw/zinc/91/87/13/604918713.db2.gz	NLLNCKQIXYEBLP-UHFFFAOYSA-N	-1	0	288.347	2.886	20	30		CFEDRM
C=C(Br)CN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148074534	604951373	/nfs/dbraw/zinc/95/13/73/604951373.db2.gz	GRWIQMHFTUNGEJ-SNVBAGLBSA-N	-1	0	296.164	2.974	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(F)c1C(=O)[O-])C1CC1	ZINC000162398562	604973603	/nfs/dbraw/zinc/97/36/03/604973603.db2.gz	BRVMOXXOWZCZIM-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
CC(=NN[C@H](C)CC#N)[C@H](C)CCCCC(=O)[O-]	ZINC000814883427	604984284	/nfs/dbraw/zinc/98/42/84/604984284.db2.gz	NJJBKZDKKXFTND-GHMZBOCLSA-N	-1	0	253.346	2.535	20	30		CFEDRM
C#CCCCCc1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000833361739	605004499	/nfs/dbraw/zinc/00/44/99/605004499.db2.gz	JPZUTBHOJGYPIX-UHFFFAOYSA-N	-1	0	270.288	2.781	20	30		CFEDRM
CC#CCN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000833380872	605005481	/nfs/dbraw/zinc/00/54/81/605005481.db2.gz	RCEOYRCCLAUTIL-NSHDSACASA-N	-1	0	272.131	2.732	20	30		CFEDRM
N#Cc1c(Cl)nsc1N1CCCC[C@@H]1CC(=O)[O-]	ZINC000833761115	605006897	/nfs/dbraw/zinc/00/68/97/605006897.db2.gz	OMDJFPRHLNAFFR-SSDOTTSWSA-N	-1	0	285.756	2.502	20	30		CFEDRM
C#CCCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000232536742	605017651	/nfs/dbraw/zinc/01/76/51/605017651.db2.gz	UMRKPLNCHXMQSN-ZDUSSCGKSA-N	-1	0	279.380	2.529	20	30		CFEDRM
C#CCCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F	ZINC000833362900	605019646	/nfs/dbraw/zinc/01/96/46/605019646.db2.gz	QCSXHEDLYBIDJO-AWEZNQCLSA-N	-1	0	278.279	2.688	20	30		CFEDRM
C=CCCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000833373392	605026146	/nfs/dbraw/zinc/02/61/46/605026146.db2.gz	NECIYMKFLNDYBY-ZDUSSCGKSA-N	-1	0	275.348	2.845	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NOC2CCCC2)cc1)C(=O)[O-]	ZINC000794921112	605040265	/nfs/dbraw/zinc/04/02/65/605040265.db2.gz	BRRPWCTXOVGVHX-LLVKDONJSA-N	-1	0	277.320	2.832	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(Cl)nc1	ZINC000833407676	605040969	/nfs/dbraw/zinc/04/09/69/605040969.db2.gz	VAJLSTPJLMTJLO-VIFPVBQESA-N	-1	0	292.726	2.628	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1cccc(C#N)c1F	ZINC000833454561	605068828	/nfs/dbraw/zinc/06/88/28/605068828.db2.gz	CZFDEKPTTWHHDK-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000398195227	605078895	/nfs/dbraw/zinc/07/88/95/605078895.db2.gz	CHFFVKVKXOYEFX-SECBINFHSA-N	-1	0	278.352	2.804	20	30		CFEDRM
C=CCOc1ccccc1CNCc1ccoc1C(=O)[O-]	ZINC000833379028	605092730	/nfs/dbraw/zinc/09/27/30/605092730.db2.gz	VJABNWGEMUSXCN-UHFFFAOYSA-N	-1	0	287.315	2.832	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc(O)cc1	ZINC000812443001	605098702	/nfs/dbraw/zinc/09/87/02/605098702.db2.gz	KYWVJSICRJEMMF-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1cccc(O)c1	ZINC000812444923	605101035	/nfs/dbraw/zinc/10/10/35/605101035.db2.gz	PLWZUIBWNDIUBO-UHFFFAOYSA-N	-1	0	270.288	2.927	20	30		CFEDRM
CC#CCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833380350	605103161	/nfs/dbraw/zinc/10/31/61/605103161.db2.gz	BYPUBQPHJNVEOU-UHFFFAOYSA-N	-1	0	268.110	2.583	20	30		CFEDRM
C=CCOCCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833375966	605134608	/nfs/dbraw/zinc/13/46/08/605134608.db2.gz	PMKYEUURNCVWQO-UHFFFAOYSA-N	-1	0	296.294	2.721	20	30		CFEDRM
C[C@H]1OCCC1N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833634221	605156976	/nfs/dbraw/zinc/15/69/76/605156976.db2.gz	LPRDWDUKBLKETE-SSDOTTSWSA-N	-1	0	268.700	2.615	20	30		CFEDRM
CO[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833718919	605158046	/nfs/dbraw/zinc/15/80/46/605158046.db2.gz	SMOGGSYRWMEVIH-MRVPVSSYSA-N	-1	0	270.716	2.861	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000833603485	605163251	/nfs/dbraw/zinc/16/32/51/605163251.db2.gz	BIKYASQXJXCNSL-HONMWMINSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000833607022	605164082	/nfs/dbraw/zinc/16/40/82/605164082.db2.gz	YAQOISRNZICVAU-SWHYSGLUSA-N	-1	0	287.315	2.663	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)c1ccc(C#N)s1)C(=O)[O-]	ZINC000833430608	605233015	/nfs/dbraw/zinc/23/30/15/605233015.db2.gz	YASQZQYPSVMOCH-VIFPVBQESA-N	-1	0	281.333	2.666	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)c1cccc(CC#N)c1)C(=O)[O-]	ZINC000833429905	605236979	/nfs/dbraw/zinc/23/69/79/605236979.db2.gz	QBZGPGWTLOEOCT-CYBMUJFWSA-N	-1	0	289.331	2.799	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263288091	605243671	/nfs/dbraw/zinc/24/36/71/605243671.db2.gz	UVZCCTZWEVABRY-LBPRGKRZSA-N	-1	0	290.363	2.929	20	30		CFEDRM
N#Cc1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1	ZINC000831152524	605249284	/nfs/dbraw/zinc/24/92/84/605249284.db2.gz	GEIREGLVJAYVSO-UHFFFAOYSA-N	-1	0	295.298	2.681	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCCCC1N=Nc1ccnc(F)c1	ZINC000834186342	605307320	/nfs/dbraw/zinc/30/73/20/605307320.db2.gz	SRLDERDMEQJTNT-SNVBAGLBSA-N	-1	0	280.303	2.589	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823491227	605311623	/nfs/dbraw/zinc/31/16/23/605311623.db2.gz	SURAYFTUQINABE-SNVBAGLBSA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000935869661	649956861	/nfs/dbraw/zinc/95/68/61/649956861.db2.gz	TWWLPJUBUCJNDF-JTQLQIEISA-N	-1	0	286.335	2.718	20	30		CFEDRM
C=CCOc1ccc(CNc2cncc(C(=O)[O-])c2)cc1	ZINC000833377743	605325069	/nfs/dbraw/zinc/32/50/69/605325069.db2.gz	LMTHTZIGDPEHOC-UHFFFAOYSA-N	-1	0	284.315	2.957	20	30		CFEDRM
CC(=NOCC(C)C)c1ccccc1OCC(=O)[O-]	ZINC000833387166	605329847	/nfs/dbraw/zinc/32/98/47/605329847.db2.gz	RHJWTJGIDDAQJT-UHFFFAOYSA-N	-1	0	265.309	2.547	20	30		CFEDRM
C[C@@]1(C#N)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC000833550523	605340104	/nfs/dbraw/zinc/34/01/04/605340104.db2.gz	AWMZAPBELBFXQG-HNNXBMFYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C#N)C(C)C)ccc1NC(=O)[O-]	ZINC000829970872	605349786	/nfs/dbraw/zinc/34/97/86/605349786.db2.gz	IMBYRFKGQMABSU-LBPRGKRZSA-N	-1	0	276.292	2.790	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000135312104	605396533	/nfs/dbraw/zinc/39/65/33/605396533.db2.gz	GGQOQQCIZHWIOR-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccsc2C(=O)[O-])C1	ZINC000833550789	605416310	/nfs/dbraw/zinc/41/63/10/605416310.db2.gz	DJRUJEUSGBCTHJ-CYBMUJFWSA-N	-1	0	264.350	2.572	20	30		CFEDRM
C#CCCCCCC(=O)N(C)c1ccccc1C(=O)[O-]	ZINC000833362095	605577991	/nfs/dbraw/zinc/57/79/91/605577991.db2.gz	ZBWBXQSNJQFSMT-UHFFFAOYSA-N	-1	0	273.332	2.931	20	30		CFEDRM
C#CCCCCCC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000833361623	605579921	/nfs/dbraw/zinc/57/99/21/605579921.db2.gz	DOYQVPUCGYTHMO-UHFFFAOYSA-N	-1	0	279.380	2.864	20	30		CFEDRM
C#CCCCCCC(=O)N(CC(=O)[O-])c1cccc(F)c1	ZINC000833362058	605619270	/nfs/dbraw/zinc/61/92/70/605619270.db2.gz	XJAUYLWZIYKOPK-UHFFFAOYSA-N	-1	0	291.322	2.827	20	30		CFEDRM
CC[C@H](C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833637352	605671972	/nfs/dbraw/zinc/67/19/72/605671972.db2.gz	DCDSCVCZUWRFQY-MJVIPROJSA-N	-1	0	289.331	2.909	20	30		CFEDRM
CC[C@@H](C)[C@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833639339	605672551	/nfs/dbraw/zinc/67/25/51/605672551.db2.gz	SUCDAUZBANSWOK-MNOVXSKESA-N	-1	0	289.331	2.982	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000833361791	605706594	/nfs/dbraw/zinc/70/65/94/605706594.db2.gz	MABVHIFGGWXVRW-UHFFFAOYSA-N	-1	0	275.304	2.613	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NOCC(F)(F)F	ZINC000834107094	605725434	/nfs/dbraw/zinc/72/54/34/605725434.db2.gz	WBBRSUUUGDVBRC-SCZZXKLOSA-N	-1	0	294.273	2.864	20	30		CFEDRM
O=C([O-])N[C@@H]1CC(=NOCC(F)(F)F)c2ccccc21	ZINC000834159430	605746101	/nfs/dbraw/zinc/74/61/01/605746101.db2.gz	ZIBKWNHWYORGDG-SECBINFHSA-N	-1	0	288.225	2.682	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C	ZINC000826820933	605755035	/nfs/dbraw/zinc/75/50/35/605755035.db2.gz	QFKHTFDPZRZAIO-CHWSQXEVSA-N	-1	0	284.400	2.994	20	30		CFEDRM
N#Cc1ccc2nc(N[C@@H]3CCCN(C(=O)[O-])C3)ccc2c1	ZINC000833976608	605767917	/nfs/dbraw/zinc/76/79/17/605767917.db2.gz	IKKCXXSJUPTRFE-CYBMUJFWSA-N	-1	0	296.330	2.661	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1nccc2sccc21	ZINC000834169413	605858734	/nfs/dbraw/zinc/85/87/34/605858734.db2.gz	MACWCVLTXFKJQA-VIFPVBQESA-N	-1	0	290.348	2.884	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cc(F)c(F)c(F)c1	ZINC000834171331	605861576	/nfs/dbraw/zinc/86/15/76/605861576.db2.gz	XYSMXGWHPIPOOX-SECBINFHSA-N	-1	0	287.241	2.692	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1=NNCc1cnc2ccccc2c1	ZINC000834170642	605861885	/nfs/dbraw/zinc/86/18/85/605861885.db2.gz	VNGGUBOGOXSYRN-CQSZACIVSA-N	-1	0	298.346	2.501	20	30		CFEDRM
C=C(C)[C@H]1CC=C(COC(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000833368685	605905535	/nfs/dbraw/zinc/90/55/35/605905535.db2.gz	PILSPTXLKFTUPU-NSHDSACASA-N	-1	0	291.303	2.832	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000834096888	605990802	/nfs/dbraw/zinc/99/08/02/605990802.db2.gz	GMBBEHHDXWOTAM-UHFFFAOYSA-N	-1	0	292.295	2.527	20	30		CFEDRM
N#CCC[C@H](C#N)COc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000833969671	606039912	/nfs/dbraw/zinc/03/99/12/606039912.db2.gz	WKKWYGSMCAIQCX-GFCCVEGCSA-N	-1	0	299.330	2.545	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](C=NOCc2ccccc2)C1	ZINC000834101313	606050138	/nfs/dbraw/zinc/05/01/38/606050138.db2.gz	XMDPHJPFAZQVGD-ZDUSSCGKSA-N	-1	0	262.309	2.579	20	30		CFEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1ccncc1Cl	ZINC000834184055	606080529	/nfs/dbraw/zinc/08/05/29/606080529.db2.gz	MZUAQVIIZWCCDX-NSHDSACASA-N	-1	0	296.758	2.525	20	30		CFEDRM
CC(C)=CCCC(C)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000820004821	606433525	/nfs/dbraw/zinc/43/35/25/606433525.db2.gz	DNZSSSLCIJYSOL-UHFFFAOYSA-N	-1	0	289.343	2.697	20	30		CFEDRM
Oc1ccc(C=Nc2cc(F)ccc2F)c(O)c1O	ZINC000255084802	617954493	/nfs/dbraw/zinc/95/44/93/617954493.db2.gz	LLZFRFSFIBYHPG-UHFFFAOYSA-N	-1	0	265.215	2.832	20	30		CFEDRM
Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049417399	617603735	/nfs/dbraw/zinc/60/37/35/617603735.db2.gz	IYQTXQNNYJFYPP-UHFFFAOYSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CCCOc1cccc(C(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049417495	617604050	/nfs/dbraw/zinc/60/40/50/617604050.db2.gz	JPPDPALTDCHKAD-UHFFFAOYSA-N	-1	0	285.365	2.518	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c1	ZINC000049515779	617607944	/nfs/dbraw/zinc/60/79/44/617607944.db2.gz	CPQOYNHYUJYXAL-NSHDSACASA-N	-1	0	295.360	2.697	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cccc(OCC(=O)[O-])c1	ZINC000811671574	617715734	/nfs/dbraw/zinc/71/57/34/617715734.db2.gz	HOADMCKYISOYCO-PAIKAKGKSA-N	-1	0	283.711	2.643	20	30		CFEDRM
CC(=NOC1CCC1)c1ccc(C(=O)[O-])c(F)c1	ZINC000812236028	617747819	/nfs/dbraw/zinc/74/78/19/617747819.db2.gz	FZYLBHIKDGTLQT-UHFFFAOYSA-N	-1	0	251.257	2.817	20	30		CFEDRM
N#Cc1ccsc1NC(=O)c1ccnc(F)c1F	ZINC000097865370	617791518	/nfs/dbraw/zinc/79/15/18/617791518.db2.gz	WPIGNYLWTSWVQD-UHFFFAOYSA-N	-1	0	265.244	2.545	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cnn(C3CCC3)c2)cc1	ZINC000901120137	620753277	/nfs/dbraw/zinc/75/32/77/620753277.db2.gz	UHZONIHQRRJHRE-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cnn(CC3CCC3)c2)cc1	ZINC000901120188	620753327	/nfs/dbraw/zinc/75/33/27/620753327.db2.gz	VHXOKUWGVGLEDC-UHFFFAOYSA-N	-1	0	298.346	2.827	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C\c1cccc(OCC(=O)[O-])c1	ZINC000255421711	617885668	/nfs/dbraw/zinc/88/56/68/617885668.db2.gz	VXWROMUSFOMQLQ-WAYWQWQTSA-N	-1	0	286.283	2.948	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000890811403	617909584	/nfs/dbraw/zinc/90/95/84/617909584.db2.gz	DFEJBFHDWIGNID-UHFFFAOYSA-N	-1	0	278.308	2.729	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CCCO2)c1[O-]	ZINC000255519965	618085337	/nfs/dbraw/zinc/08/53/37/618085337.db2.gz	ZDFSXVYFABMZSE-PJJXNUOTSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000909321757	618107422	/nfs/dbraw/zinc/10/74/22/618107422.db2.gz	RRGBUKRSNVPXFS-HNNXBMFYSA-N	-1	0	295.310	2.691	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccn3ccnc3c2)c1	ZINC000255567823	618128189	/nfs/dbraw/zinc/12/81/89/618128189.db2.gz	WDUJWDQAFHKRAK-YBEGLDIGSA-N	-1	0	296.286	2.567	20	30		CFEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000255268451	618153944	/nfs/dbraw/zinc/15/39/44/618153944.db2.gz	OMJGASWSBWVZGP-PLNGDYQASA-N	-1	0	261.302	2.759	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1	ZINC000255322764	618197056	/nfs/dbraw/zinc/19/70/56/618197056.db2.gz	JJPDBABMJAOVAT-DLGQBQFBSA-N	-1	0	287.319	2.875	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1[N+](=O)[O-]	ZINC000176821861	618205776	/nfs/dbraw/zinc/20/57/76/618205776.db2.gz	YZNYAMHAASIRNW-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CCc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176832844	618210380	/nfs/dbraw/zinc/21/03/80/618210380.db2.gz	HQBXKTQMIUHXGD-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
COCCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881335	618212154	/nfs/dbraw/zinc/21/21/54/618212154.db2.gz	IXZMTOFJAIHPGW-GFCCVEGCSA-N	-1	0	299.392	2.851	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])o1	ZINC000176956692	618246930	/nfs/dbraw/zinc/24/69/30/618246930.db2.gz	ALIHESOZBCGRIZ-ZZXKWVIFSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000049178064	618252381	/nfs/dbraw/zinc/25/23/81/618252381.db2.gz	XWELYJIRHYENBF-GFCCVEGCSA-N	-1	0	299.392	2.845	20	30		CFEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000049178097	618252394	/nfs/dbraw/zinc/25/23/94/618252394.db2.gz	BVXPMUKPYVGVBY-LBPRGKRZSA-N	-1	0	299.392	2.845	20	30		CFEDRM
C=C1CCC(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1	ZINC000909430852	618253100	/nfs/dbraw/zinc/25/31/00/618253100.db2.gz	KGHJWXISZGBSMS-MRXNPFEDSA-N	-1	0	299.370	2.943	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@H]1CCCC(C)(C)C1	ZINC000179414952	618273231	/nfs/dbraw/zinc/27/32/31/618273231.db2.gz	QYRYDWROFLBYOV-NWDGAFQWSA-N	-1	0	287.363	2.528	20	30		CFEDRM
Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179737736	618343371	/nfs/dbraw/zinc/34/33/71/618343371.db2.gz	HVTHZLAPDDFASP-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CCOCCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1	ZINC000179741253	618343484	/nfs/dbraw/zinc/34/34/84/618343484.db2.gz	HSZAECOLRCJZFY-UHFFFAOYSA-N	-1	0	288.347	2.799	20	30		CFEDRM
CC(C)Oc1cccnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179735402	618343804	/nfs/dbraw/zinc/34/38/04/618343804.db2.gz	QZDGWTCLNCHATK-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
CCS[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000179742855	618346711	/nfs/dbraw/zinc/34/67/11/618346711.db2.gz	HLLTZKDCJCWCSX-CYBMUJFWSA-N	-1	0	278.377	2.980	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(cccc2F)s1	ZINC000092463522	618346840	/nfs/dbraw/zinc/34/68/40/618346840.db2.gz	QGGWMGNXKGDNCE-UHFFFAOYSA-N	-1	0	293.319	2.753	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc(C)sc1C	ZINC000092467519	618348280	/nfs/dbraw/zinc/34/82/80/618348280.db2.gz	DLZNMZYAHCICHL-JTQLQIEISA-N	-1	0	296.392	2.708	20	30		CFEDRM
CCCCCCCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000147254346	618382442	/nfs/dbraw/zinc/38/24/42/618382442.db2.gz	GYDYYLMWUDKPJP-QWHCGFSZSA-N	-1	0	284.400	2.899	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(C2CCC2)c1	ZINC000909515248	618535899	/nfs/dbraw/zinc/53/58/99/618535899.db2.gz	RSMCEJSRWWOISY-UHFFFAOYSA-N	-1	0	273.332	2.667	20	30		CFEDRM
C=CCCC[C@H](C(=O)[N-]S(=O)(=O)CC)c1ccccc1	ZINC000892685285	618708265	/nfs/dbraw/zinc/70/82/65/618708265.db2.gz	YGEASQCOPSZUDW-AWEZNQCLSA-N	-1	0	295.404	2.592	20	30		CFEDRM
N#CCc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1	ZINC000314099716	618775425	/nfs/dbraw/zinc/77/54/25/618775425.db2.gz	BNEZYUHZRKYTSB-UHFFFAOYSA-N	-1	0	284.315	2.646	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000909331747	618944255	/nfs/dbraw/zinc/94/42/55/618944255.db2.gz	GLINQXUAPGYMMX-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000909360553	619002444	/nfs/dbraw/zinc/00/24/44/619002444.db2.gz	UVJUIYZASRZEGQ-ZDUSSCGKSA-N	-1	0	279.311	2.670	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC1	ZINC000909360266	619002685	/nfs/dbraw/zinc/00/26/85/619002685.db2.gz	MQXHHJWPNNOMPV-CQSZACIVSA-N	-1	0	291.322	2.814	20	30		CFEDRM
C=C1CCC(C(=O)NC(CC)(CC)CC(=O)[O-])CC1	ZINC000909378105	619030560	/nfs/dbraw/zinc/03/05/60/619030560.db2.gz	VOXXQVQJNIWKPV-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C#CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000909392415	619051613	/nfs/dbraw/zinc/05/16/13/619051613.db2.gz	FSYFZQHOLPGARE-ZDUSSCGKSA-N	-1	0	297.713	2.525	20	30		CFEDRM
Cc1nc(NC(C)(C)CCC(=O)[O-])c(Cl)cc1C#N	ZINC000261582963	619173402	/nfs/dbraw/zinc/17/34/02/619173402.db2.gz	GZWKKUFXKRSCGY-UHFFFAOYSA-N	-1	0	281.743	2.970	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518301	619348549	/nfs/dbraw/zinc/34/85/49/619348549.db2.gz	QLOMYTVVPCWKRU-KTKRTIGZSA-N	-1	0	267.350	2.990	20	30		CFEDRM
CN(Cc1cc(F)cc(F)c1[O-])CC(C)(C)C#N	ZINC000894857662	619485666	/nfs/dbraw/zinc/48/56/66/619485666.db2.gz	MNFIIKNLULUPNN-UHFFFAOYSA-N	-1	0	254.280	2.652	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(C)c(C)cc1C)C(=O)[O-]	ZINC000793081232	619508303	/nfs/dbraw/zinc/50/83/03/619508303.db2.gz	IQRGZYRUVLHNAJ-AWEZNQCLSA-N	-1	0	262.353	2.789	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000909527888	619590386	/nfs/dbraw/zinc/59/03/86/619590386.db2.gz	JPTSHCIFOHDKCS-XHDPSFHLSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000896505950	619752844	/nfs/dbraw/zinc/75/28/44/619752844.db2.gz	QQUSBVCMEZWGLL-JTQLQIEISA-N	-1	0	295.180	2.890	20	30		CFEDRM
COC1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000840705650	619840308	/nfs/dbraw/zinc/84/03/08/619840308.db2.gz	HHUZIUTYMVJGJH-XNTDXEJSSA-N	-1	0	278.308	2.679	20	30		CFEDRM
Cc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2C)o1	ZINC000079137366	619840731	/nfs/dbraw/zinc/84/07/31/619840731.db2.gz	ZFPYJWGCEYLVHK-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CC1(C)OCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708557	619880777	/nfs/dbraw/zinc/88/07/77/619880777.db2.gz	YCEWPKWXKIFWNP-LBMJDHPKSA-N	-1	0	298.726	2.940	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCC[C@@H]3C[C@@H]32)c1	ZINC000840710288	619905399	/nfs/dbraw/zinc/90/53/99/619905399.db2.gz	IRJLBRSGPJFSPO-CPVZDRJSSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=CCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000814004058	619959351	/nfs/dbraw/zinc/95/93/51/619959351.db2.gz	CQRVFDPFTHIWSP-UHFFFAOYSA-N	-1	0	252.270	2.682	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909603209	619989696	/nfs/dbraw/zinc/98/96/96/619989696.db2.gz	ZUFFNBLWEONEFC-QGZVFWFLSA-N	-1	0	289.375	2.747	20	30		CFEDRM
COc1ccc(CCCCCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000067600042	620186917	/nfs/dbraw/zinc/18/69/17/620186917.db2.gz	GPKQVABKALVIGO-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
C=CCC[C@H](NC(=O)N(C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000929041658	620196434	/nfs/dbraw/zinc/19/64/34/620196434.db2.gz	AABUXMRBVJXYNE-OCCSQVGLSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N(C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000929041660	620196437	/nfs/dbraw/zinc/19/64/37/620196437.db2.gz	AABUXMRBVJXYNE-TZMCWYRMSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1	ZINC000898096135	620338020	/nfs/dbraw/zinc/33/80/20/620338020.db2.gz	PBYQASUGWXOMEP-UHFFFAOYSA-N	-1	0	293.367	2.906	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2C[C@H]2C(F)(F)F)c1	ZINC000899225841	620535221	/nfs/dbraw/zinc/53/52/21/620535221.db2.gz	FDSMKRRQWRYIMP-IUNUGJHRSA-N	-1	0	288.225	2.918	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000899296683	620541646	/nfs/dbraw/zinc/54/16/46/620541646.db2.gz	AWEPNZFKRIXNRJ-LLVKDONJSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CC1(CC(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	ZINC000899298621	620542744	/nfs/dbraw/zinc/54/27/44/620542744.db2.gz	NOSATMTZHZPMFX-CYBMUJFWSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C#CCCc1cc(=O)n([C@@H]2CCc3c2cccc3F)[n-]1	ZINC000899356809	620550825	/nfs/dbraw/zinc/55/08/25/620550825.db2.gz	UAYSSFJTZGQJLX-OAHLLOKOSA-N	-1	0	270.307	2.815	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1ccc(F)cc1[O-])CCC2	ZINC000899363794	620551016	/nfs/dbraw/zinc/55/10/16/620551016.db2.gz	UIVDHYXTXNXYRF-BQYQJAHWSA-N	-1	0	286.306	2.650	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)c(F)c2)c(=O)c1CCC#N	ZINC000899361257	620552677	/nfs/dbraw/zinc/55/26/77/620552677.db2.gz	WLIYEKBWGPBPQO-JTQLQIEISA-N	-1	0	263.247	2.607	20	30		CFEDRM
O=C(/C=C\c1cnn(CC2CCC2)c1)c1ccc(O)cc1[O-]	ZINC000899362118	620553108	/nfs/dbraw/zinc/55/31/08/620553108.db2.gz	KPVUNSONBRYICN-DAXSKMNVSA-N	-1	0	298.342	2.991	20	30		CFEDRM
Cc1c(C(=O)/C=C\c2cc(C(=O)[O-])co2)cnn1C(C)C	ZINC000899368600	620555191	/nfs/dbraw/zinc/55/51/91/620555191.db2.gz	KJJXHCMDVIQOCH-PLNGDYQASA-N	-1	0	288.303	2.960	20	30		CFEDRM
O=C([O-])c1cncc(C(=O)/C=C/c2ccnn2C2CCC2)c1	ZINC000899390254	620557783	/nfs/dbraw/zinc/55/77/83/620557783.db2.gz	WCKGEODLNXBOFV-SNAWJCMRSA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1cncc(/C=C/C(=O)c2ccnn2C2CCC2)c1	ZINC000899399688	620560175	/nfs/dbraw/zinc/56/01/75/620560175.db2.gz	BMDXTAGMJBUFFY-SNAWJCMRSA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1coc(/C=C\C(=O)c2cnn(C3CCC3)c2)c1	ZINC000899399695	620560244	/nfs/dbraw/zinc/56/02/44/620560244.db2.gz	BOKFRVFWSPJAKN-PLNGDYQASA-N	-1	0	286.287	2.795	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000042232367	620572443	/nfs/dbraw/zinc/57/24/43/620572443.db2.gz	MFIZOVASCYZEQJ-NSHDSACASA-N	-1	0	265.334	2.688	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250407	620586332	/nfs/dbraw/zinc/58/63/32/620586332.db2.gz	XTJCUGQQYLWYKV-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
C#Cc1cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1	ZINC000899796985	620601056	/nfs/dbraw/zinc/60/10/56/620601056.db2.gz	VBRYCEJBBCINMQ-ZDUSSCGKSA-N	-1	0	273.332	2.743	20	30		CFEDRM
C=C1CCN(C(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)CC1	ZINC000899818392	620604064	/nfs/dbraw/zinc/60/40/64/620604064.db2.gz	DHFDAKNVTATDTR-HNNXBMFYSA-N	-1	0	287.359	2.732	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899820935	620604682	/nfs/dbraw/zinc/60/46/82/620604682.db2.gz	XEAYDQMFFMQLBK-STQMWFEESA-N	-1	0	269.385	2.984	20	30		CFEDRM
C#CC1(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)CCCC1	ZINC000899833818	620604698	/nfs/dbraw/zinc/60/46/98/620604698.db2.gz	FLQUTTUFQLGZPT-HNNXBMFYSA-N	-1	0	299.370	2.616	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899820934	620604726	/nfs/dbraw/zinc/60/47/26/620604726.db2.gz	XEAYDQMFFMQLBK-QWHCGFSZSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1	ZINC000899855620	620607093	/nfs/dbraw/zinc/60/70/93/620607093.db2.gz	IWTKCZYSSPCILO-UHFFFAOYSA-N	-1	0	271.316	2.642	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000901449182	620824506	/nfs/dbraw/zinc/82/45/06/620824506.db2.gz	HXCOCITYTLJFQR-NJZAAPMLSA-N	-1	0	257.333	2.969	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000901569203	620862679	/nfs/dbraw/zinc/86/26/79/620862679.db2.gz	JXRLOMMCTCMFPC-LLVKDONJSA-N	-1	0	282.384	2.712	20	30		CFEDRM
CC(C)(C)c1[n-]n(Cc2ccns2)c(=O)c1CCC#N	ZINC000902719323	621155155	/nfs/dbraw/zinc/15/51/55/621155155.db2.gz	MZPUZAIRKYPAIZ-UHFFFAOYSA-N	-1	0	290.392	2.847	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2sc(C)cc2C#N)c(C)o1	ZINC000903169925	621279842	/nfs/dbraw/zinc/27/98/42/621279842.db2.gz	VRCTWVJBTLKLNH-UHFFFAOYSA-N	-1	0	296.373	2.939	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccccc1)C(=O)[O-]	ZINC000905016689	621682438	/nfs/dbraw/zinc/68/24/38/621682438.db2.gz	XCNUCQVBRITTAP-LBPRGKRZSA-N	-1	0	262.309	2.618	20	30		CFEDRM
C=C(Cl)CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000905390677	621754215	/nfs/dbraw/zinc/75/42/15/621754215.db2.gz	JXBDRSWTINTWSP-LBPRGKRZSA-N	-1	0	253.729	2.771	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(C(=O)[O-])cc1C	ZINC000905457455	621777158	/nfs/dbraw/zinc/77/71/58/621777158.db2.gz	WITICCYHRHUKNE-CQSZACIVSA-N	-1	0	277.320	2.960	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCc1cscc1C)C(=O)[O-]	ZINC000905540861	621787125	/nfs/dbraw/zinc/78/71/25/621787125.db2.gz	ZVQCKTYJYIVWRA-LBPRGKRZSA-N	-1	0	296.392	2.665	20	30		CFEDRM
CCS(=O)(=O)[N-]c1scc(C(C)(C)C)c1C#N	ZINC000906067160	621924978	/nfs/dbraw/zinc/92/49/78/621924978.db2.gz	QABJRIIGKVTZHN-UHFFFAOYSA-N	-1	0	272.395	2.679	20	30		CFEDRM
CCS(=O)(=O)[N-]c1sc2c(c1C#N)C(C)(C)CC2	ZINC000906078407	621929363	/nfs/dbraw/zinc/92/93/63/621929363.db2.gz	VMDQVCJKLUXYPW-UHFFFAOYSA-N	-1	0	284.406	2.605	20	30		CFEDRM
CCn1nc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C1CC1	ZINC000907146215	622093052	/nfs/dbraw/zinc/09/30/52/622093052.db2.gz	WJJUEABHVWXLOX-UHFFFAOYSA-N	-1	0	296.330	2.610	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000907574311	622137785	/nfs/dbraw/zinc/13/77/85/622137785.db2.gz	PCWXGQJIXYNKQA-SWLSCSKDSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000907577646	622138008	/nfs/dbraw/zinc/13/80/08/622138008.db2.gz	UQXRGMHRJVRYMG-RISCZKNCSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000907593538	622140722	/nfs/dbraw/zinc/14/07/22/622140722.db2.gz	QNQXYDKIPJODNL-ZFWWWQNUSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000907640513	622145469	/nfs/dbraw/zinc/14/54/69/622145469.db2.gz	SIZFRHCZCOYWOS-AAEUAGOBSA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000907642275	622145838	/nfs/dbraw/zinc/14/58/38/622145838.db2.gz	CPPNRCOAWIQFTG-CABZTGNLSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000907658593	622148026	/nfs/dbraw/zinc/14/80/26/622148026.db2.gz	CBBSVTNHROFWPO-FZMZJTMJSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1	ZINC000907662351	622148407	/nfs/dbraw/zinc/14/84/07/622148407.db2.gz	VXPFSCLFPIMBGX-GFCCVEGCSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000907659069	622148617	/nfs/dbraw/zinc/14/86/17/622148617.db2.gz	OSKLZSMBPWSQKQ-IUODEOHRSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000907705732	622153852	/nfs/dbraw/zinc/15/38/52/622153852.db2.gz	ZSGUZTWYVPVGMA-NWDGAFQWSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000907769858	622160634	/nfs/dbraw/zinc/16/06/34/622160634.db2.gz	ACRDKNUGPJKESA-QMMMGPOBSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C=CCCCN(CC)C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000908220906	622203080	/nfs/dbraw/zinc/20/30/80/622203080.db2.gz	XOXQDGUOSDOKLW-NTMALXAHSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=CC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000908597654	622248598	/nfs/dbraw/zinc/24/85/98/622248598.db2.gz	HVIZGPGGZRFOBS-CABCVRRESA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000908750450	622270893	/nfs/dbraw/zinc/27/08/93/622270893.db2.gz	AQZQGROJXQPICM-AWEZNQCLSA-N	-1	0	293.338	2.697	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1	ZINC000908775684	622272183	/nfs/dbraw/zinc/27/21/83/622272183.db2.gz	HFTIOWYMTZDEPM-CQSZACIVSA-N	-1	0	291.347	2.937	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909030934	622298362	/nfs/dbraw/zinc/29/83/62/622298362.db2.gz	QKCQAINFCAWEMC-AWEZNQCLSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=CCCCNC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909122573	622315419	/nfs/dbraw/zinc/31/54/19/622315419.db2.gz	ABQKDVBFPMAGJE-CYBMUJFWSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=C1CCC(C(=O)NCCCCCCC(=O)[O-])CC1	ZINC000909146542	622321937	/nfs/dbraw/zinc/32/19/37/622321937.db2.gz	QWRGNHQVMVGKQH-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909700619	622342540	/nfs/dbraw/zinc/34/25/40/622342540.db2.gz	MXEDACMQCBWXOK-LSDHHAIUSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)CC1	ZINC000909699234	622342835	/nfs/dbraw/zinc/34/28/35/622342835.db2.gz	PQVNRNVMAIZILW-INIZCTEOSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909705644	622343195	/nfs/dbraw/zinc/34/31/95/622343195.db2.gz	XWKOBIDHVUVKOY-CZUORRHYSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1sccc1C)C(=O)[O-]	ZINC000909711717	622343831	/nfs/dbraw/zinc/34/38/31/622343831.db2.gz	DYUGHRCGFJVKCZ-LBPRGKRZSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](SC)c1ccccc1)C(=O)[O-]	ZINC000909713467	622344412	/nfs/dbraw/zinc/34/44/12/622344412.db2.gz	QVRQKRHJBZHXFI-OLZOCXBDSA-N	-1	0	293.388	2.626	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909731673	622347459	/nfs/dbraw/zinc/34/74/59/622347459.db2.gz	PKBGDCJPABJUCD-UHFFFAOYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C#CCCCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-]	ZINC000909744367	622349951	/nfs/dbraw/zinc/34/99/51/622349951.db2.gz	LVMYZMKANFYNKE-CQSZACIVSA-N	-1	0	287.359	2.682	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000909868326	622362475	/nfs/dbraw/zinc/36/24/75/622362475.db2.gz	FPPYDSNQMVARCV-TZMCWYRMSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1	ZINC000909874233	622363490	/nfs/dbraw/zinc/36/34/90/622363490.db2.gz	AUQXDOSDHDQRJI-AWEZNQCLSA-N	-1	0	287.359	2.535	20	30		CFEDRM
C#CCCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21	ZINC000909951360	622375947	/nfs/dbraw/zinc/37/59/47/622375947.db2.gz	PXPCRNLWHPOOTF-OAHLLOKOSA-N	-1	0	299.370	2.724	20	30		CFEDRM
C=CC[C@H]1N(C(=O)[C@@H](CC)C(=O)[O-])CCCC1(C)C	ZINC000910024741	622387623	/nfs/dbraw/zinc/38/76/23/622387623.db2.gz	ZILAANKLZHNZJP-VXGBXAGGSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CC[C@H]1N(C(=O)c2cc(C(=O)[O-])on2)CCCC1(C)C	ZINC000910024742	622387677	/nfs/dbraw/zinc/38/76/77/622387677.db2.gz	ZKBJDDFEKWAAFG-GFCCVEGCSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000910040015	622395465	/nfs/dbraw/zinc/39/54/65/622395465.db2.gz	LYQQXPWPJVUESK-MRXNPFEDSA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=CC(C)(C)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1	ZINC000910206933	622415004	/nfs/dbraw/zinc/41/50/04/622415004.db2.gz	CUIBIGHHXGJGDD-UHFFFAOYSA-N	-1	0	291.322	2.621	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCCC(C)C)C(=O)[O-]	ZINC000910264791	622420401	/nfs/dbraw/zinc/42/04/01/622420401.db2.gz	CBMILJKDZVEHSU-SNVBAGLBSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910269308	622421924	/nfs/dbraw/zinc/42/19/24/622421924.db2.gz	AEBLMPOBHPUGRT-QMMMGPOBSA-N	-1	0	297.729	2.770	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000910291158	622429865	/nfs/dbraw/zinc/42/98/65/622429865.db2.gz	FJGBOYBAEPYNMR-HTAVTVPLSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000910293150	622430461	/nfs/dbraw/zinc/43/04/61/622430461.db2.gz	UWCXXYIVGIXAED-LBPRGKRZSA-N	-1	0	297.301	2.702	20	30		CFEDRM
C#CC1CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1	ZINC000910357979	622434925	/nfs/dbraw/zinc/43/49/25/622434925.db2.gz	XBKSEJYHKLAVCU-UHFFFAOYSA-N	-1	0	298.264	2.648	20	30		CFEDRM
C=CC(C)(C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000910366680	622436258	/nfs/dbraw/zinc/43/62/58/622436258.db2.gz	HGJGPOOBKXSIDF-LLVKDONJSA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)[O-]	ZINC000910377032	622437142	/nfs/dbraw/zinc/43/71/42/622437142.db2.gz	GVDVPRDOVDETJE-LLVKDONJSA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=CCN(CC(=O)[O-])c1nc(C2CCCCC2)ns1	ZINC000910395494	622440525	/nfs/dbraw/zinc/44/05/25/622440525.db2.gz	KJPQDHRXNIEGBV-UHFFFAOYSA-N	-1	0	281.381	2.663	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CCCC(C)C)C(=O)[O-]	ZINC000910574733	622455983	/nfs/dbraw/zinc/45/59/83/622455983.db2.gz	IJQCKISFJSFEKP-ZDUSSCGKSA-N	-1	0	267.369	2.576	20	30		CFEDRM
C=CC[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000910826401	622479211	/nfs/dbraw/zinc/47/92/11/622479211.db2.gz	BZJIGWXQYDSAKK-AWEZNQCLSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C[C@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC000910806026	622480132	/nfs/dbraw/zinc/48/01/32/622480132.db2.gz	CJISPGRHTUWVCJ-JVWICGRDSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCc1ccc(F)cc1)C(=O)[O-]	ZINC000910914609	622486107	/nfs/dbraw/zinc/48/61/07/622486107.db2.gz	JCFHYYBBPAJXJM-AWEZNQCLSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000910914314	622486343	/nfs/dbraw/zinc/48/63/43/622486343.db2.gz	IZIGANTZTFVBGY-JQWIXIFHSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1csc(C2CC2)n1)C(=O)[O-]	ZINC000910914884	622486405	/nfs/dbraw/zinc/48/64/05/622486405.db2.gz	OXFWJVDJCHSTRN-SNVBAGLBSA-N	-1	0	294.376	2.560	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC000910916296	622486791	/nfs/dbraw/zinc/48/67/91/622486791.db2.gz	UNSMGMCXEKTWOL-LBPRGKRZSA-N	-1	0	283.274	2.504	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000910915144	622486807	/nfs/dbraw/zinc/48/68/07/622486807.db2.gz	VMDBMZLIAIWLRX-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@]1(C)CC=CCC1)C(=O)[O-]	ZINC000910917144	622486825	/nfs/dbraw/zinc/48/68/25/622486825.db2.gz	MLXLJVTXIBKEFE-DOMZBBRYSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(F)ccc1F)C(=O)[O-]	ZINC000910916295	622486840	/nfs/dbraw/zinc/48/68/40/622486840.db2.gz	UNSMGMCXEKTWOL-GFCCVEGCSA-N	-1	0	283.274	2.504	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)[O-]	ZINC000910918447	622487361	/nfs/dbraw/zinc/48/73/61/622487361.db2.gz	LJVOTNRIHQJVNO-GETOMWPZSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@](C)(C=C)CC)C(=O)[O-]	ZINC000910917490	622487367	/nfs/dbraw/zinc/48/73/67/622487367.db2.gz	RFYJMMGHJIKMIE-SMDDNHRTSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)[O-]	ZINC000910922158	622487847	/nfs/dbraw/zinc/48/78/47/622487847.db2.gz	HSFPECJOEXXVMN-IJLUTSLNSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1CCC2(CC2)CC1)C(=O)[O-]	ZINC000910922640	622487887	/nfs/dbraw/zinc/48/78/87/622487887.db2.gz	LRZNFFLGYOTWGU-CYBMUJFWSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911065656	622502638	/nfs/dbraw/zinc/50/26/38/622502638.db2.gz	DCUJCNCLLKNOIK-KGLIPLIRSA-N	-1	0	289.331	2.613	20	30		CFEDRM
C=C(C)[C@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675368	622533971	/nfs/dbraw/zinc/53/39/71/622533971.db2.gz	CBFVUKJIWKWNBG-MFKMUULPSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675263	622534144	/nfs/dbraw/zinc/53/41/44/622534144.db2.gz	ALKWEMPZMCUTKO-YMTOWFKASA-N	-1	0	297.301	2.809	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000911778263	622550361	/nfs/dbraw/zinc/55/03/61/622550361.db2.gz	LJWGIYUJMVVMRE-OAHLLOKOSA-N	-1	0	279.380	2.720	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000819800854	622559408	/nfs/dbraw/zinc/55/94/08/622559408.db2.gz	AVQCNVLDNLHXTM-LLVKDONJSA-N	-1	0	250.323	2.678	20	30		CFEDRM
CO[C@H]1C[C@H]2CC(N=Nc3ccccc3C(=O)[O-])C[C@H]2C1	ZINC000819803061	622559494	/nfs/dbraw/zinc/55/94/94/622559494.db2.gz	GPUJIFUJIJOBTA-PJXYFTJBSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])C[C@H]1C)c1ccncc1	ZINC000819819022	622564177	/nfs/dbraw/zinc/56/41/77/622564177.db2.gz	REVMXKPHGXNIJH-MDZLAQPJSA-N	-1	0	275.352	2.609	20	30		CFEDRM
Cc1cccc2c(C([O-])=C(C#N)C(=O)NC(C)C)coc21	ZINC000819943125	622578365	/nfs/dbraw/zinc/57/83/65/622578365.db2.gz	OKDIGQTZHGDEAA-LBPRGKRZSA-N	-1	0	284.315	2.588	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])C(F)=C2CCC2)nc(C)n1	ZINC000819941359	622578866	/nfs/dbraw/zinc/57/88/66/622578866.db2.gz	LINSZGHELADYIX-NSHDSACASA-N	-1	0	259.284	2.677	20	30		CFEDRM
CC(C)OC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1	ZINC000821348578	622902049	/nfs/dbraw/zinc/90/20/49/622902049.db2.gz	DISURALQCPFUEX-UHFFFAOYSA-N	-1	0	274.320	2.550	20	30		CFEDRM
Cc1ccc2ncc(/C=C/C(=O)c3ccc(O)cc3[O-])n2c1	ZINC000151445337	622910218	/nfs/dbraw/zinc/91/02/18/622910218.db2.gz	NVXWBIGZCMCVRA-ZZXKWVIFSA-N	-1	0	294.310	2.950	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100046	622964806	/nfs/dbraw/zinc/96/48/06/622964806.db2.gz	PUUPDQIBLAGYAN-UHFFFAOYSA-N	-1	0	273.329	2.658	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)c1	ZINC000046929251	623105780	/nfs/dbraw/zinc/10/57/80/623105780.db2.gz	KECJOIFJWMEIFJ-GHMZBOCLSA-N	-1	0	267.350	2.605	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C(C)=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000823369143	623299796	/nfs/dbraw/zinc/29/97/96/623299796.db2.gz	XSPVZUZAFSPNPX-VNDWYCCKSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C(C)=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000823369142	623300122	/nfs/dbraw/zinc/30/01/22/623300122.db2.gz	XSPVZUZAFSPNPX-PLSXKVAHSA-N	-1	0	291.322	2.765	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2)C1	ZINC000062875084	623302061	/nfs/dbraw/zinc/30/20/61/623302061.db2.gz	IRTSDEVLOJNVJP-HNNXBMFYSA-N	-1	0	258.321	2.639	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1ncc2ccccc2c1O	ZINC000824234049	623473205	/nfs/dbraw/zinc/47/32/05/623473205.db2.gz	BZBXMUYACJSKTB-UHFFFAOYSA-N	-1	0	297.358	2.952	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000824659336	623541340	/nfs/dbraw/zinc/54/13/40/623541340.db2.gz	DMTKGWQQMFCSRX-UHFFFAOYSA-N	-1	0	277.217	2.681	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@]2(C#N)CC3CCC2CC3)c1	ZINC000913666556	623550779	/nfs/dbraw/zinc/55/07/79/623550779.db2.gz	CMQFYIOSWMEQOZ-MKTAYPAQSA-N	-1	0	295.342	2.688	20	30		CFEDRM
N#CC1(CNC(=O)c2cccc(F)c2[O-])CCCCC1	ZINC000825458553	623697196	/nfs/dbraw/zinc/69/71/96/623697196.db2.gz	KVZRVHJDBWYGEK-UHFFFAOYSA-N	-1	0	276.311	2.735	20	30		CFEDRM
C=CCCO[N-]C(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2	ZINC000825565798	623716853	/nfs/dbraw/zinc/71/68/53/623716853.db2.gz	KTFMUJPYGCAQTF-LLVKDONJSA-N	-1	0	290.363	2.540	20	30		CFEDRM
N#CCC1CN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000826991048	623920087	/nfs/dbraw/zinc/92/00/87/623920087.db2.gz	SZFDWOBPBAZOHS-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccc(F)cc2F)CCC1	ZINC000837048780	624084204	/nfs/dbraw/zinc/08/42/04/624084204.db2.gz	YIQQDKCVVBFPTI-UHFFFAOYSA-N	-1	0	267.275	2.620	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(F)c(Cl)c1	ZINC000915945695	624192183	/nfs/dbraw/zinc/19/21/83/624192183.db2.gz	ULJGUZSHWLAVEU-UHFFFAOYSA-N	-1	0	295.705	2.514	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc3c2OCO3)c1	ZINC000915936049	624194680	/nfs/dbraw/zinc/19/46/80/624194680.db2.gz	NFZQZJJDVGWSQG-UHFFFAOYSA-N	-1	0	284.271	2.560	20	30		CFEDRM
O=C([O-])CCOc1ccc(/C=C\C(=O)c2cccnc2)cc1	ZINC000915981531	624201351	/nfs/dbraw/zinc/20/13/51/624201351.db2.gz	ROQUOKXLBLXQQP-YVMONPNESA-N	-1	0	297.310	2.831	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCC[C@H](O)C2)c1[O-]	ZINC000915983222	624202377	/nfs/dbraw/zinc/20/23/77/624202377.db2.gz	UHVRVTSDSPGTIU-WPBQSACWSA-N	-1	0	298.726	2.676	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000916240387	624230034	/nfs/dbraw/zinc/23/00/34/624230034.db2.gz	AUAWBPHXPQFLET-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
CN(C)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)s1	ZINC000916240939	624230120	/nfs/dbraw/zinc/23/01/20/624230120.db2.gz	XHWOTRVFZIKRTA-UHFFFAOYSA-N	-1	0	289.360	2.958	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc(O)cc2)c1	ZINC000916255322	624230828	/nfs/dbraw/zinc/23/08/28/624230828.db2.gz	RKALWYJPYZCQJV-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ccccc2)ccc1[O-]	ZINC000916247487	624232252	/nfs/dbraw/zinc/23/22/52/624232252.db2.gz	YQSVJGWFHSYBLZ-UHFFFAOYSA-N	-1	0	257.249	2.746	20	30		CFEDRM
CC(C)=CCCC(C)=CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000916304074	624237869	/nfs/dbraw/zinc/23/78/69/624237869.db2.gz	YDJIQEBIPZCHLR-PUNNCJRTSA-N	-1	0	292.408	2.762	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=CC1CCCCC1	ZINC000916305493	624238138	/nfs/dbraw/zinc/23/81/38/624238138.db2.gz	SUDIZEWUDZJYGB-UHFFFAOYSA-N	-1	0	278.303	3.000	20	30		CFEDRM
Cn1cccc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000916878843	624290370	/nfs/dbraw/zinc/29/03/70/624290370.db2.gz	XBTYKBUKZRQZEK-CQSZACIVSA-N	-1	0	292.338	2.648	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2ccccc2s1	ZINC000916916883	624291862	/nfs/dbraw/zinc/29/18/62/624291862.db2.gz	DFMQMTKYKPQHCN-NSHDSACASA-N	-1	0	284.340	2.526	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CC(C)C)cc1	ZINC000916920502	624291960	/nfs/dbraw/zinc/29/19/60/624291960.db2.gz	LGIUTMMIQPHNRP-OAHLLOKOSA-N	-1	0	284.359	2.510	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc(CCC)c(C)s1	ZINC000916919097	624292066	/nfs/dbraw/zinc/29/20/66/624292066.db2.gz	YXRZYLJIJSBIIT-GFCCVEGCSA-N	-1	0	290.388	2.634	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000916944953	624294632	/nfs/dbraw/zinc/29/46/32/624294632.db2.gz	DAZYWRIPHOCRQT-OAHLLOKOSA-N	-1	0	286.375	2.876	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1cccs1	ZINC000917554485	624358757	/nfs/dbraw/zinc/35/87/57/624358757.db2.gz	QQSNVAIZVYXGMD-UHFFFAOYSA-N	-1	0	272.337	2.641	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830331673	624711053	/nfs/dbraw/zinc/71/10/53/624711053.db2.gz	IFPQMCSZURAQMS-UHFFFAOYSA-N	-1	0	265.284	2.885	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2cccc(F)c2)c1	ZINC000920383355	624716764	/nfs/dbraw/zinc/71/67/64/624716764.db2.gz	FBUOICISDVVSAY-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
C[C@H](NN=Cc1ccc(OCC(=O)[O-])cc1)c1ccccc1	ZINC000920386302	624716918	/nfs/dbraw/zinc/71/69/18/624716918.db2.gz	WJADQVVOUNSHGJ-ZDUSSCGKSA-N	-1	0	298.342	2.835	20	30		CFEDRM
C[C@@H](NN=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000920385875	624716944	/nfs/dbraw/zinc/71/69/44/624716944.db2.gz	JHVKYHKFNWOHPI-LLVKDONJSA-N	-1	0	285.303	2.985	20	30		CFEDRM
Cc1ccc(CC/N=C\c2c(O)c(C)ncc2CO)c(C)c1	ZINC000920864313	624776373	/nfs/dbraw/zinc/77/63/73/624776373.db2.gz	RXZZNQTVVSFJCO-GRSHGNNSSA-N	-1	0	298.386	2.866	20	30		CFEDRM
CC(C)C1N=NC(=S)N1N=Cc1ccc(O)c(Cl)c1	ZINC000921256827	624826695	/nfs/dbraw/zinc/82/66/95/624826695.db2.gz	ZWEYQHLVAPJQFK-UHFFFAOYSA-N	-1	0	296.783	2.931	20	30		CFEDRM
C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccccc1F	ZINC000830811193	624882575	/nfs/dbraw/zinc/88/25/75/624882575.db2.gz	RRUIZELQFMXKNO-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)o1	ZINC000175102087	624926483	/nfs/dbraw/zinc/92/64/83/624926483.db2.gz	MECWAQBHTDNRRK-CQSZACIVSA-N	-1	0	296.326	2.535	20	30		CFEDRM
Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000175101601	624926568	/nfs/dbraw/zinc/92/65/68/624926568.db2.gz	CCARSJSRIREGAK-CYBMUJFWSA-N	-1	0	298.367	2.695	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cscc1C	ZINC000175096104	624926609	/nfs/dbraw/zinc/92/66/09/624926609.db2.gz	WTCSCDNBMWVQCJ-NSHDSACASA-N	-1	0	278.377	2.685	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)c(F)c(F)c2)c1	ZINC000179732751	624975294	/nfs/dbraw/zinc/97/52/94/624975294.db2.gz	ZJDIGAJGDHTGTD-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)CC)c1ccccc1	ZINC000181966187	625241250	/nfs/dbraw/zinc/24/12/50/625241250.db2.gz	FJSQVGBZGMVQFD-STQMWFEESA-N	-1	0	295.404	2.591	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@H]2CCCCO2)c1	ZINC000182203772	625270247	/nfs/dbraw/zinc/27/02/47/625270247.db2.gz	MRYVMEQOHXSSHQ-QQFZQELXSA-N	-1	0	278.308	2.679	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1coc2ccccc12	ZINC000073087188	625771753	/nfs/dbraw/zinc/77/17/53/625771753.db2.gz	WVTNHUAETJHGHG-UHFFFAOYSA-N	-1	0	281.333	2.867	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834911693	625920067	/nfs/dbraw/zinc/92/00/67/625920067.db2.gz	GIHHYJCFRYKIGH-ZDUSSCGKSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CCCC(N=Nc1nnc(C)c(=O)[n-]1)C1CCCC1	ZINC000834925275	625925061	/nfs/dbraw/zinc/92/50/61/625925061.db2.gz	LACVXPFVQOVWPP-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
FC1(F)CC1=CNN=c1[n-]nc(-c2ccccn2)s1	ZINC000834972049	625939268	/nfs/dbraw/zinc/93/92/68/625939268.db2.gz	CJMHNJMPHYTRHP-ZETCQYMHSA-N	-1	0	281.291	2.653	20	30		CFEDRM
CCC1(CC)C(N=Nc2ccc(C(=O)[O-])nc2)C[C@H]1OC	ZINC000835006164	625954618	/nfs/dbraw/zinc/95/46/18/625954618.db2.gz	AFJCVGBUQUWPMJ-CYBMUJFWSA-N	-1	0	291.351	2.773	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008145	625954805	/nfs/dbraw/zinc/95/48/05/625954805.db2.gz	GFRGTPHIYFXLJT-ZDUSSCGKSA-N	-1	0	268.288	2.737	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1	ZINC000835008486	625955038	/nfs/dbraw/zinc/95/50/38/625955038.db2.gz	JWQVWFHIDGKGNJ-GXTWGEPZSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)[C@@H]1C	ZINC000835009369	625956111	/nfs/dbraw/zinc/95/61/11/625956111.db2.gz	UWRIGBDMUOAFDK-HTQZYQBOSA-N	-1	0	250.273	2.968	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835009310	625956298	/nfs/dbraw/zinc/95/62/98/625956298.db2.gz	UEJJNEHRDXXQGW-ZETCQYMHSA-N	-1	0	268.313	2.817	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2CCF)cn1	ZINC000835009802	625956882	/nfs/dbraw/zinc/95/68/82/625956882.db2.gz	CYUUQNZCXWQEEJ-SECBINFHSA-N	-1	0	265.288	2.707	20	30		CFEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)CS1	ZINC000835009952	625957166	/nfs/dbraw/zinc/95/71/66/625957166.db2.gz	JFBWRHRNWUCSQW-LBPRGKRZSA-N	-1	0	279.365	2.709	20	30		CFEDRM
CC[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011055	625958123	/nfs/dbraw/zinc/95/81/23/625958123.db2.gz	AWLJBEKONVNJJW-LLVKDONJSA-N	-1	0	280.299	2.881	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@@H]2CCOC2)c(F)c1	ZINC000835012898	625958426	/nfs/dbraw/zinc/95/84/26/625958426.db2.gz	ZEFNEOBUEXTNOA-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
C[C@H]1C(N=Nc2ncc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000835023616	625968488	/nfs/dbraw/zinc/96/84/88/625968488.db2.gz	MDYXSRNMQNLBTJ-HTQZYQBOSA-N	-1	0	283.278	2.649	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1cc(F)ccc1[O-]	ZINC000186418670	626060553	/nfs/dbraw/zinc/06/05/53/626060553.db2.gz	MOGXKFWFOYWPCZ-DAFODLJHSA-N	-1	0	261.227	2.962	20	30		CFEDRM
C#CCC1(NS(=O)(=O)c2sccc2Cl)CCC1	ZINC000922045619	626200778	/nfs/dbraw/zinc/20/07/78/626200778.db2.gz	GKWSOSXNYUSPQY-UHFFFAOYSA-N	-1	0	289.809	2.626	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1	ZINC000073838037	626396190	/nfs/dbraw/zinc/39/61/90/626396190.db2.gz	IKFUSYFZVXXACY-NSHDSACASA-N	-1	0	299.392	2.929	20	30		CFEDRM
N#C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CC12CCCC2	ZINC000923059258	626447126	/nfs/dbraw/zinc/44/71/26/626447126.db2.gz	NKJFWQROIYPEHV-INIZCTEOSA-N	-1	0	284.315	2.797	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000923059903	626447289	/nfs/dbraw/zinc/44/72/89/626447289.db2.gz	PGZYNPLMBCOJSN-CQSZACIVSA-N	-1	0	260.293	2.572	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000923069087	626448226	/nfs/dbraw/zinc/44/82/26/626448226.db2.gz	JXANKBPVUIRLQG-LBPRGKRZSA-N	-1	0	294.395	2.666	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCCCC1	ZINC000923076831	626449222	/nfs/dbraw/zinc/44/92/22/626449222.db2.gz	WYIWCLKAKPVURB-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CC(C)C2)cc(C(=O)[O-])c1	ZINC000923107196	626451658	/nfs/dbraw/zinc/45/16/58/626451658.db2.gz	YSVSBHCVBLMXKS-UHFFFAOYSA-N	-1	0	272.304	2.572	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923189696	626455726	/nfs/dbraw/zinc/45/57/26/626455726.db2.gz	XQJNUHASDHUNCX-LSDHHAIUSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC(=NNc1ccc(C#N)cc1)c1cc(C(=O)[O-])ccc1O	ZINC000757459058	626552577	/nfs/dbraw/zinc/55/25/77/626552577.db2.gz	CZNNMXOHXCOESR-UHFFFAOYSA-N	-1	0	295.298	2.798	20	30		CFEDRM
Cc1cc(N=NC(C)c2ccccc2C(=O)[O-])nc(C)n1	ZINC000757461828	626552678	/nfs/dbraw/zinc/55/26/78/626552678.db2.gz	RMQRLRNEKVMJEY-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
Cn1nnc2cc(/C=C\C(=O)c3cc(F)ccc3[O-])ccc21	ZINC000757468350	626552969	/nfs/dbraw/zinc/55/29/69/626552969.db2.gz	QNPZKNFJNDLLRQ-UTCJRWHESA-N	-1	0	297.289	2.709	20	30		CFEDRM
CC(C)(C)c1noc(C=NNc2cccc(C(=O)[O-])c2)n1	ZINC000758067898	626575477	/nfs/dbraw/zinc/57/54/77/626575477.db2.gz	DXLMDXYMSLAZMP-UHFFFAOYSA-N	-1	0	288.307	2.511	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NOCc2ccc(F)cc2)c1	ZINC000758142930	626578790	/nfs/dbraw/zinc/57/87/90/626578790.db2.gz	IZPILCJGULBMRX-UHFFFAOYSA-N	-1	0	290.250	2.990	20	30		CFEDRM
C#CCCCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000758363947	626589882	/nfs/dbraw/zinc/58/98/82/626589882.db2.gz	FATRZASZMQOFME-KRWDZBQOSA-N	-1	0	293.407	2.967	20	30		CFEDRM
CC[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000760769817	626771128	/nfs/dbraw/zinc/77/11/28/626771128.db2.gz	PCMOYKUIKWGQFQ-BYPYZUCNSA-N	-1	0	269.160	2.734	20	30		CFEDRM
C[C@H](C#N)Oc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1	ZINC000761206088	626815796	/nfs/dbraw/zinc/81/57/96/626815796.db2.gz	NGZAZYOVHGWXKL-SRMRHOMVSA-N	-1	0	295.298	2.636	20	30		CFEDRM
Cc1nnc(NN=C2C[C@@H]3CCCc4cccc2c43)[n-]c1=O	ZINC000763344708	626981930	/nfs/dbraw/zinc/98/19/30/626981930.db2.gz	DARBOQDTBRQCJC-NSHDSACASA-N	-1	0	295.346	2.525	20	30		CFEDRM
CCc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763369194	626983398	/nfs/dbraw/zinc/98/33/98/626983398.db2.gz	SIJFMCNXLWMCIW-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(O)cc1	ZINC000763371070	626983671	/nfs/dbraw/zinc/98/36/71/626983671.db2.gz	YYRCIRZVGPHDAB-UHFFFAOYSA-N	-1	0	285.303	2.712	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3c(O)cccc32)nc1	ZINC000763370269	626983814	/nfs/dbraw/zinc/98/38/14/626983814.db2.gz	PTUJWWMHYRHMGK-UHFFFAOYSA-N	-1	0	297.314	2.638	20	30		CFEDRM
Cc1ccc2c(c1)CCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372102	626984290	/nfs/dbraw/zinc/98/42/90/626984290.db2.gz	RXIKMWOGWRIEAP-UHFFFAOYSA-N	-1	0	281.315	2.851	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1cccc(C(=O)[O-])c1	ZINC000764690650	627084426	/nfs/dbraw/zinc/08/44/26/627084426.db2.gz	PNOVSFXAYJIFIR-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
[O-]c1c(F)cc(C=NNCCc2ccccc2F)cc1F	ZINC000764724510	627087943	/nfs/dbraw/zinc/08/79/43/627087943.db2.gz	WFQJRHNSTDZPLC-UHFFFAOYSA-N	-1	0	294.276	2.976	20	30		CFEDRM
O=C([O-])c1cccc(N=NC2CC(C(F)F)C2)c1	ZINC000766007782	627171174	/nfs/dbraw/zinc/17/11/74/627171174.db2.gz	BLNBTRFLILUPBI-UHFFFAOYSA-N	-1	0	254.236	2.828	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000766452237	627203882	/nfs/dbraw/zinc/20/38/82/627203882.db2.gz	DFVLRXFKHJJNPG-ZDUSSCGKSA-N	-1	0	292.335	2.750	20	30		CFEDRM
COC(=O)c1coc(C(=O)/C=C\c2ccc(O)c(F)c2)c1	ZINC000766501338	627206454	/nfs/dbraw/zinc/20/64/54/627206454.db2.gz	FLXSTQPPTRUFHJ-HYXAFXHYSA-N	-1	0	290.246	2.807	20	30		CFEDRM
Cc1cccc2c1[C@H](C)CC2=NNc1[n-]cnc2ncnc1-2	ZINC000766696955	627215169	/nfs/dbraw/zinc/21/51/69/627215169.db2.gz	YSMKPKIYQOQLGK-SNVBAGLBSA-N	-1	0	292.346	2.985	20	30		CFEDRM
CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000767100369	627235157	/nfs/dbraw/zinc/23/51/57/627235157.db2.gz	AMZDELKMAZCIGC-RFZPGFLSSA-N	-1	0	283.187	2.980	20	30		CFEDRM
N#Cc1cccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000767336910	627243787	/nfs/dbraw/zinc/24/37/87/627243787.db2.gz	WRDBMUVZKFHLBY-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
CC(=NNCc1ccc(C#N)cc1)c1cccc(C(=O)[O-])c1	ZINC000769823481	627478848	/nfs/dbraw/zinc/47/88/48/627478848.db2.gz	SFRJUIGFRZEDGG-UHFFFAOYSA-N	-1	0	293.326	2.770	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cscc2Cl)C(=O)O1	ZINC000771845249	627636603	/nfs/dbraw/zinc/63/66/03/627636603.db2.gz	JSXPSJSUTGABHE-JDGPPOGSSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000772835706	627750236	/nfs/dbraw/zinc/75/02/36/627750236.db2.gz	QAZILYQBBSSRRR-UHFFFAOYSA-N	-1	0	296.282	2.558	20	30		CFEDRM
O=C(C=Cc1ccccc1-n1cncn1)c1sccc1[O-]	ZINC000773144237	627787983	/nfs/dbraw/zinc/78/79/83/627787983.db2.gz	ZNUCOFUOUIBGGJ-WAYWQWQTSA-N	-1	0	297.339	2.931	20	30		CFEDRM
CS[C@@H](C)CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000773523128	627833497	/nfs/dbraw/zinc/83/34/97/627833497.db2.gz	LVFQHXPTXPDJFG-VIFPVBQESA-N	-1	0	264.350	2.734	20	30		CFEDRM
C=CCC[C@@H](C(=O)[N-]OC1CCOCC1)c1ccccc1	ZINC000777820869	628254536	/nfs/dbraw/zinc/25/45/36/628254536.db2.gz	NKIUIJOHEMCECT-MRXNPFEDSA-N	-1	0	289.375	2.963	20	30		CFEDRM
Cc1ccc(F)cc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000777888729	628261635	/nfs/dbraw/zinc/26/16/35/628261635.db2.gz	CWSXVDKXKXWIMC-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
CC[C@@H](C)n1nc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000778398078	628304344	/nfs/dbraw/zinc/30/43/44/628304344.db2.gz	KCDJTZXZPMEOCF-SNVBAGLBSA-N	-1	0	298.346	2.992	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]OC1CCOCC1)c1ccccc1	ZINC000779100737	628352528	/nfs/dbraw/zinc/35/25/28/628352528.db2.gz	KFWUHTNIXTXMES-HNNXBMFYSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCOCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000779708040	628394762	/nfs/dbraw/zinc/39/47/62/628394762.db2.gz	QYPTYODEKZXJDO-RIYZIHGNSA-N	-1	0	284.699	2.575	20	30		CFEDRM
CC[C@@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000779754469	628400097	/nfs/dbraw/zinc/40/00/97/628400097.db2.gz	UIYYOJCHCBHDKZ-SMDDNHRTSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@@H]1C[C@H](CN=Nc2ccccc2C(=O)[O-])CCO1	ZINC000779768161	628401251	/nfs/dbraw/zinc/40/12/51/628401251.db2.gz	SIUSRZVWDBTRLM-VXGBXAGGSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000779904311	628417319	/nfs/dbraw/zinc/41/73/19/628417319.db2.gz	DKTQJLYVYNKPGM-UHFFFAOYSA-N	-1	0	299.330	2.552	20	30		CFEDRM
COCC(N=Nc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000780186484	628437475	/nfs/dbraw/zinc/43/74/75/628437475.db2.gz	NDVUYYZNRNBDDN-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
COCC(N=Nc1ccccc1C(=O)[O-])C1CCCC1	ZINC000780200927	628438639	/nfs/dbraw/zinc/43/86/39/628438639.db2.gz	CXVVGRVCENWQJQ-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CC(N=Nc1ncncc1Cl)c1ccccc1C(=O)[O-]	ZINC000780280574	628450140	/nfs/dbraw/zinc/45/01/40/628450140.db2.gz	RPMSMNMBMLEAGA-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
C=CCC[C@H](NC(=O)N[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000780690448	628487675	/nfs/dbraw/zinc/48/76/75/628487675.db2.gz	VGUOSWTYZVSPHX-KGLIPLIRSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C#CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl	ZINC000781014637	628512757	/nfs/dbraw/zinc/51/27/57/628512757.db2.gz	LIJXZQJEPSUSCS-UHFFFAOYSA-N	-1	0	264.495	2.924	20	30		CFEDRM
CCC1(CN=Nc2ccccc2C(=O)[O-])CCOCC1	ZINC000781122365	628523427	/nfs/dbraw/zinc/52/34/27/628523427.db2.gz	UCUUXHYNWBQAAL-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@](C)(CC)CCCCC	ZINC000781527250	628557467	/nfs/dbraw/zinc/55/74/67/628557467.db2.gz	SDGMALSVEODESA-ZDUSSCGKSA-N	-1	0	275.414	2.615	20	30		CFEDRM
CO[C@H](c1ccccc1)C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000782266081	628621214	/nfs/dbraw/zinc/62/12/14/628621214.db2.gz	FWLQDUIPSBUJHF-HNNXBMFYSA-N	-1	0	299.330	2.955	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NNCCC(C)(C)C)c1)C(=O)[O-]	ZINC000782908108	628663182	/nfs/dbraw/zinc/66/31/82/628663182.db2.gz	PTGKRLODAJRHEV-GFCCVEGCSA-N	-1	0	292.379	2.898	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNCCc1ccccn1	ZINC000789124549	629128276	/nfs/dbraw/zinc/12/82/76/629128276.db2.gz	IBGQNCOJXYWCDH-UHFFFAOYSA-N	-1	0	275.739	2.607	20	30		CFEDRM
CCN(C)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)cn1	ZINC000790136616	629213013	/nfs/dbraw/zinc/21/30/13/629213013.db2.gz	OICKGDFFZQWBQG-UHFFFAOYSA-N	-1	0	298.346	2.682	20	30		CFEDRM
Cc1cc([C@H](C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1	ZINC000835061275	629364499	/nfs/dbraw/zinc/36/44/99/629364499.db2.gz	YHOFWLMETRWWAR-WSNITJDQSA-N	-1	0	299.374	2.643	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000793057247	629480815	/nfs/dbraw/zinc/48/08/15/629480815.db2.gz	NGSXADNCPLXEQB-SNVBAGLBSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000793057245	629480838	/nfs/dbraw/zinc/48/08/38/629480838.db2.gz	NGSXADNCPLXEQB-JTQLQIEISA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(-c2ccccc2)o1)C(=O)[O-]	ZINC000793057219	629480852	/nfs/dbraw/zinc/48/08/52/629480852.db2.gz	MSOYJGFVNMYARB-ZDUSSCGKSA-N	-1	0	272.304	2.733	20	30		CFEDRM
CCSc1ccccc1C(C)=NN[C@H](CC)C(=O)[O-]	ZINC000793057114	629480995	/nfs/dbraw/zinc/48/09/95/629480995.db2.gz	KPWPGICACSBNBH-GFCCVEGCSA-N	-1	0	280.393	2.975	20	30		CFEDRM
CC[C@@H](NN=C1CCCOc2cc(Cl)ccc21)C(=O)[O-]	ZINC000793058654	629481579	/nfs/dbraw/zinc/48/15/79/629481579.db2.gz	XPQBMRIXUYWPBK-LLVKDONJSA-N	-1	0	296.754	2.670	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(C)cc(Br)c1)C(=O)[O-]	ZINC000793073416	629483488	/nfs/dbraw/zinc/48/34/88/629483488.db2.gz	UXQNTSFOTXPEFH-LLVKDONJSA-N	-1	0	299.168	2.544	20	30		CFEDRM
CCc1oc2ccccc2c1C=NN[C@H](CC)C(=O)[O-]	ZINC000793073536	629483738	/nfs/dbraw/zinc/48/37/38/629483738.db2.gz	XEJHHOJDULZBCC-GFCCVEGCSA-N	-1	0	274.320	2.782	20	30		CFEDRM
CC[C@H](NN=Cc1csc(-c2ccsc2)n1)C(=O)[O-]	ZINC000793073311	629483768	/nfs/dbraw/zinc/48/37/68/629483768.db2.gz	SBOYAGDQDLLTAM-JTQLQIEISA-N	-1	0	295.389	2.658	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1cc(Cl)ccc1OC	ZINC000793072962	629483864	/nfs/dbraw/zinc/48/38/64/629483864.db2.gz	XBCJNVCSDIHBOY-LBPRGKRZSA-N	-1	0	298.770	2.916	20	30		CFEDRM
CC[C@H](NN=Cc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000793077126	629484096	/nfs/dbraw/zinc/48/40/96/629484096.db2.gz	AFSQBFXJISHESI-JTQLQIEISA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](NN=Cc1c(Cl)ccc2cccnc21)C(=O)[O-]	ZINC000793078943	629484306	/nfs/dbraw/zinc/48/43/06/629484306.db2.gz	PRZZMUUTUPRMAF-GFCCVEGCSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000793077127	629484436	/nfs/dbraw/zinc/48/44/36/629484436.db2.gz	AFSQBFXJISHESI-SNVBAGLBSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(OCC(=O)[O-])c(OC)c1	ZINC000793143826	629492153	/nfs/dbraw/zinc/49/21/53/629492153.db2.gz	ADRUHSGHLWFTAW-LLVKDONJSA-N	-1	0	295.335	2.555	20	30		CFEDRM
CC(C)n1nccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000794451834	629647886	/nfs/dbraw/zinc/64/78/86/629647886.db2.gz	FRZYQUUJMZLOMS-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cnn3ccccc23)c1	ZINC000794677220	629673821	/nfs/dbraw/zinc/67/38/21/629673821.db2.gz	SUDGLXWKSJWUMQ-LZYBPNLTSA-N	-1	0	296.286	2.567	20	30		CFEDRM
CC(=NNc1cccc(F)n1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000795006929	629722449	/nfs/dbraw/zinc/72/24/49/629722449.db2.gz	UDWQMOBNAMBBNB-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
C#CCOc1cccc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000795320562	629760551	/nfs/dbraw/zinc/76/05/51/629760551.db2.gz	ZPKLPPFZDJPJPN-UHFFFAOYSA-N	-1	0	293.369	2.561	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)c1nccn1C	ZINC000797162747	630030281	/nfs/dbraw/zinc/03/02/81/630030281.db2.gz	LIYPIRPJEDBOKT-GFCCVEGCSA-N	-1	0	299.330	2.650	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC	ZINC000797549339	630078534	/nfs/dbraw/zinc/07/85/34/630078534.db2.gz	ZANKRVZVBCJJNX-ZDUSSCGKSA-N	-1	0	290.363	2.861	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1	ZINC000798817525	630241699	/nfs/dbraw/zinc/24/16/99/630241699.db2.gz	YXSSXFGDMOPQQJ-HNNXBMFYSA-N	-1	0	284.359	2.801	20	30		CFEDRM
CC(C)OCC(C)N=Nc1ccccc1C(=O)[O-]	ZINC000799873782	630350023	/nfs/dbraw/zinc/35/00/23/630350023.db2.gz	XMWSMIGVPUJYRQ-UHFFFAOYSA-N	-1	0	250.298	2.598	20	30		CFEDRM
Cn1cnc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000800794271	630404769	/nfs/dbraw/zinc/40/47/69/630404769.db2.gz	AKRAIOCJZKHNHF-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1[nH]c(C=NNc2cc(F)c(F)c(F)c2)cc1C(=O)[O-]	ZINC000800814235	630407725	/nfs/dbraw/zinc/40/77/25/630407725.db2.gz	RHOSDKSQRRYPDC-UHFFFAOYSA-N	-1	0	297.236	2.885	20	30		CFEDRM
C=C(C)COC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-]	ZINC000801413228	630446261	/nfs/dbraw/zinc/44/62/61/630446261.db2.gz	KPPHKMRRXVIUSI-UHFFFAOYSA-N	-1	0	290.294	2.758	20	30		CFEDRM
CC1(C)SC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801646433	630463659	/nfs/dbraw/zinc/46/36/59/630463659.db2.gz	RFFMTTGFTZJDBO-XXLSNGBASA-N	-1	0	266.322	2.613	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)co1	ZINC000802042290	630499348	/nfs/dbraw/zinc/49/93/48/630499348.db2.gz	COIBWHXQKRFUGU-LBPRGKRZSA-N	-1	0	297.314	2.588	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c[nH]c(C(F)(F)F)c2)nc1	ZINC000807982248	630929610	/nfs/dbraw/zinc/92/96/10/630929610.db2.gz	UCRJDPIELBAUAL-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
O=C([O-])Cn1cc(C=NNCC2CCCC2)c2ccccc21	ZINC000808007319	630941030	/nfs/dbraw/zinc/94/10/30/630941030.db2.gz	ZMOLPHQROHONRB-UHFFFAOYSA-N	-1	0	299.374	2.840	20	30		CFEDRM
C=CCO[N-]C(=O)CS[C@@H](C)c1nc2ccccc2[nH]1	ZINC000837043989	630943392	/nfs/dbraw/zinc/94/33/92/630943392.db2.gz	IOEGRCXLCKZZHY-JTQLQIEISA-N	-1	0	291.376	2.591	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1	ZINC000837047538	630945432	/nfs/dbraw/zinc/94/54/32/630945432.db2.gz	BQHPXUQTWLYPNN-SECBINFHSA-N	-1	0	289.253	2.707	20	30		CFEDRM
N#Cc1cnccc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000808088828	630949054	/nfs/dbraw/zinc/94/90/54/630949054.db2.gz	CXIBKZBOFBWDHJ-UHFFFAOYSA-N	-1	0	294.141	3.000	20	30		CFEDRM
CC[C@@H](CC(F)F)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000837495901	631047909	/nfs/dbraw/zinc/04/79/09/631047909.db2.gz	GBYRAWIRDHTGLM-VIFPVBQESA-N	-1	0	268.263	2.884	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccnc(F)c2)ccc1O	ZINC000809158523	631091579	/nfs/dbraw/zinc/09/15/79/631091579.db2.gz	ZKWVGLCTUPJYRV-HNQUOIGGSA-N	-1	0	287.246	2.521	20	30		CFEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000809156739	631091850	/nfs/dbraw/zinc/09/18/50/631091850.db2.gz	FFHWTBNRFDGECF-DJWKRKHSSA-N	-1	0	299.307	2.920	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000042311764	649997585	/nfs/dbraw/zinc/99/75/85/649997585.db2.gz	FXNZBDPKXOEQRW-UHFFFAOYSA-N	-1	0	294.376	2.925	20	30		CFEDRM
CO[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000840707043	631175311	/nfs/dbraw/zinc/17/53/11/631175311.db2.gz	RHFVATCOSRUHEZ-FVTUNSQFSA-N	-1	0	298.726	2.798	20	30		CFEDRM
COCC1(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000840707481	631175448	/nfs/dbraw/zinc/17/54/48/631175448.db2.gz	VHNPYLSKTBRUIZ-YBEGLDIGSA-N	-1	0	292.335	2.926	20	30		CFEDRM
CC(C)(O)C(C)(C)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840711000	631175994	/nfs/dbraw/zinc/17/59/94/631175994.db2.gz	UDBOOLKUDIJGPW-NVNXTCNLSA-N	-1	0	280.324	2.516	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cc1	ZINC000042302592	649997449	/nfs/dbraw/zinc/99/74/49/649997449.db2.gz	VKHJBDGRUIJZIM-LBPRGKRZSA-N	-1	0	290.344	2.560	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1	ZINC000042243690	649996505	/nfs/dbraw/zinc/99/65/05/649996505.db2.gz	NFMABGBIIIXJLD-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
O=c1[n-]c(N=NC2CCC[C@@H]3C[C@@H]32)nc2ccccc21	ZINC000841629725	631436651	/nfs/dbraw/zinc/43/66/51/631436651.db2.gz	SUJNHNJUMGMMGB-KOLCDFICSA-N	-1	0	268.320	2.923	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)CC(C)C	ZINC000841641111	631441540	/nfs/dbraw/zinc/44/15/40/631441540.db2.gz	NNKPAVKCWSZUJT-LLVKDONJSA-N	-1	0	282.315	2.983	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)CC(C)C	ZINC000841641112	631441663	/nfs/dbraw/zinc/44/16/63/631441663.db2.gz	NNKPAVKCWSZUJT-NSHDSACASA-N	-1	0	282.315	2.983	20	30		CFEDRM
CCCCCCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	ZINC000841777474	631470579	/nfs/dbraw/zinc/47/05/79/631470579.db2.gz	DDCCBPHWGONFDT-UHFFFAOYSA-N	-1	0	293.429	2.520	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C(\C)C(C)(C)C)CC1	ZINC000810985830	631489338	/nfs/dbraw/zinc/48/93/38/631489338.db2.gz	ISGLSCWTPVAPLC-ZHACJKMWSA-N	-1	0	285.409	2.534	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000811692739	631607418	/nfs/dbraw/zinc/60/74/18/631607418.db2.gz	HLEKFLODPBJYLE-OWOJBTEDSA-N	-1	0	292.266	2.895	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811811473	631626778	/nfs/dbraw/zinc/62/67/78/631626778.db2.gz	CIMXZUNPNZVADF-UHFFFAOYSA-N	-1	0	279.723	2.852	20	30		CFEDRM
C=C1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000811822998	631628308	/nfs/dbraw/zinc/62/83/08/631628308.db2.gz	MTKDWTWNTGDAIC-UHFFFAOYSA-N	-1	0	279.723	2.830	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc2n(n1)CCCC2	ZINC000842522461	631651978	/nfs/dbraw/zinc/65/19/78/631651978.db2.gz	KDGOPMHBOIUZQF-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3C=C[C@@H]2CC3)nc1	ZINC000842530890	631653584	/nfs/dbraw/zinc/65/35/84/631653584.db2.gz	VHNJNCQRBYVKLW-VHSXEESVSA-N	-1	0	257.293	2.534	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOC2CCC2)c2ccccc21	ZINC000812237138	631674830	/nfs/dbraw/zinc/67/48/30/631674830.db2.gz	LVCGFBRJLXGPNR-ZDUSSCGKSA-N	-1	0	259.305	2.922	20	30		CFEDRM
CCC(=NOCCOC(C)C)c1ccc(C(=O)[O-])cc1	ZINC000812240193	631677935	/nfs/dbraw/zinc/67/79/35/631677935.db2.gz	JXCMPXXEWXFQIO-UHFFFAOYSA-N	-1	0	279.336	2.941	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C1\Oc2cc(O)ccc2C1=O	ZINC000812495605	631726872	/nfs/dbraw/zinc/72/68/72/631726872.db2.gz	MHGZVEKNTQQDDZ-SDQBBNPISA-N	-1	0	290.706	2.704	20	30		CFEDRM
C#CCO[N-]C(=O)CSc1ccc2c3c(cccc31)CC2	ZINC000812783705	631774726	/nfs/dbraw/zinc/77/47/26/631774726.db2.gz	BXAOVBQLEJRILO-UHFFFAOYSA-N	-1	0	297.379	2.712	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Oc1cc(C(C)C)ccc1C	ZINC000812786242	631775338	/nfs/dbraw/zinc/77/53/38/631775338.db2.gz	FZQOPQIRFXRZMF-ZDUSSCGKSA-N	-1	0	275.348	2.567	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc(C2CC2)cs1	ZINC000842946557	631790104	/nfs/dbraw/zinc/79/01/04/631790104.db2.gz	WCODPIOAJRKGBJ-PCAWENJQSA-N	-1	0	296.355	2.700	20	30		CFEDRM
CC[C@@H](NN=C/C(C)=C\c1ccccc1COC)C(=O)[O-]	ZINC000814228982	632042224	/nfs/dbraw/zinc/04/22/24/632042224.db2.gz	OJVQUFKHCKRTGI-DSLFZKTGSA-N	-1	0	290.363	2.675	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOCC2CC2)c1[O-]	ZINC000814241995	632043790	/nfs/dbraw/zinc/04/37/90/632043790.db2.gz	QRUDXBXMWNPKQD-UHFFFAOYSA-N	-1	0	270.672	2.714	20	30		CFEDRM
C#CC1CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000844046742	632102647	/nfs/dbraw/zinc/10/26/47/632102647.db2.gz	GNEMHMLLSNILGF-UHFFFAOYSA-N	-1	0	263.724	2.531	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-]	ZINC000814685262	632107587	/nfs/dbraw/zinc/10/75/87/632107587.db2.gz	FJYKPPAPUUNKFH-GXSJLCMTSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC000814685263	632108035	/nfs/dbraw/zinc/10/80/35/632108035.db2.gz	FJYKPPAPUUNKFH-KOLCDFICSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2nc3c(s2)CCC3)c1	ZINC000814687843	632108711	/nfs/dbraw/zinc/10/87/11/632108711.db2.gz	VUESQJDVUNOIOQ-UHFFFAOYSA-N	-1	0	287.344	2.776	20	30		CFEDRM
CO[C@](C)(CN=Nc1cccc(C(=O)[O-])c1)C1CC1	ZINC000814687668	632109029	/nfs/dbraw/zinc/10/90/29/632109029.db2.gz	QFWCIKGKOKHVIW-CQSZACIVSA-N	-1	0	262.309	2.598	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cccc(C2CC2)c1	ZINC000814734694	632115878	/nfs/dbraw/zinc/11/58/78/632115878.db2.gz	HENODWNEAVWGHM-UHFFFAOYSA-N	-1	0	283.335	2.599	20	30		CFEDRM
CC(C)(C)c1ncc(C=NNc2ccccc2C(=O)[O-])cn1	ZINC000814768849	632120605	/nfs/dbraw/zinc/12/06/05/632120605.db2.gz	NYSGOXBTZYXPQD-UHFFFAOYSA-N	-1	0	298.346	2.918	20	30		CFEDRM
COC1(CC(C)=NNc2cnnc([O-])c2Cl)CCC1	ZINC000814783069	632122579	/nfs/dbraw/zinc/12/25/79/632122579.db2.gz	UQGXXOBMVWGJDB-UHFFFAOYSA-N	-1	0	284.747	2.583	20	30		CFEDRM
COc1ccnc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])n1	ZINC000814799282	632125826	/nfs/dbraw/zinc/12/58/26/632125826.db2.gz	ZTLJVLSYROEYQX-JTQLQIEISA-N	-1	0	294.355	2.554	20	30		CFEDRM
COc1ccnc(N=NC(C)[C@H](C)CCCCC(=O)[O-])n1	ZINC000814799283	632126354	/nfs/dbraw/zinc/12/63/54/632126354.db2.gz	ZTLJVLSYROEYQX-SNVBAGLBSA-N	-1	0	294.355	2.554	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(F)c(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814809008	632129624	/nfs/dbraw/zinc/12/96/24/632129624.db2.gz	WPAYGGWEWWIJCI-GXSJLCMTSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@H]1C(N=Nc2cnc3ccccc3n2)CC[C@@H]1CC(=O)[O-]	ZINC000814830871	632133705	/nfs/dbraw/zinc/13/37/05/632133705.db2.gz	UOEQXEPLNPWKKG-GHMZBOCLSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1ccc(NN=Cc2cccc(C(=O)[O-])c2)nc1	ZINC000814831670	632134391	/nfs/dbraw/zinc/13/43/91/632134391.db2.gz	MGOMYMHFQKRIJX-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000814873376	632145360	/nfs/dbraw/zinc/14/53/60/632145360.db2.gz	YLSOGDGAQKBPAA-WFASDCNBSA-N	-1	0	274.364	2.961	20	30		CFEDRM
COc1ccc(NN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814884836	632148196	/nfs/dbraw/zinc/14/81/96/632148196.db2.gz	ALIXINZCZNWMEJ-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
CC(=NOCC(C)C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814884408	632148227	/nfs/dbraw/zinc/14/82/27/632148227.db2.gz	WWBVGFZZFZFYJA-LBPRGKRZSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NO[C@H]1CCCCO1	ZINC000814888242	632150225	/nfs/dbraw/zinc/15/02/25/632150225.db2.gz	SSZYWUIPRLZPHK-NSHDSACASA-N	-1	0	255.314	2.551	20	30		CFEDRM
O=C([O-])c1cccc(C=NO[C@H]2CCCCO2)c1Cl	ZINC000814888104	632150238	/nfs/dbraw/zinc/15/02/38/632150238.db2.gz	XKDDQUDGVDMYIQ-NSHDSACASA-N	-1	0	283.711	2.915	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc2n[nH]cc2c1	ZINC000814900454	632154996	/nfs/dbraw/zinc/15/49/96/632154996.db2.gz	UHIIMRFCVUHOMQ-UHFFFAOYSA-N	-1	0	286.335	2.996	20	30		CFEDRM
CC(=NNCCOC(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814899305	632155016	/nfs/dbraw/zinc/15/50/16/632155016.db2.gz	PFTAKIKVDAOWJC-OLZOCXBDSA-N	-1	0	284.400	2.514	20	30		CFEDRM
CC(=NOCC(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814904167	632157683	/nfs/dbraw/zinc/15/76/83/632157683.db2.gz	WFMJDUMLWBJRKV-MRVPVSSYSA-N	-1	0	251.273	2.925	20	30		CFEDRM
C[C@H]1C(=NOC2CCOCC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814906017	632157923	/nfs/dbraw/zinc/15/79/23/632157923.db2.gz	CKMQIUAMHFGLLH-CMPLNLGQSA-N	-1	0	283.368	2.695	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC1CCCCC1	ZINC000814910069	632160507	/nfs/dbraw/zinc/16/05/07/632160507.db2.gz	QCQOJZUHLSSABO-GHMZBOCLSA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNC1CCCCC1	ZINC000814910072	632161092	/nfs/dbraw/zinc/16/10/92/632161092.db2.gz	QCQOJZUHLSSABO-QWRGUYRKSA-N	-1	0	252.358	2.786	20	30		CFEDRM
CC[C@H](C)NN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814912835	632162662	/nfs/dbraw/zinc/16/26/62/632162662.db2.gz	BXHXLUOICUZWKA-GARJFASQSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1nccn1C	ZINC000814919157	632164178	/nfs/dbraw/zinc/16/41/78/632164178.db2.gz	NJPDSVLIEACAFF-UHFFFAOYSA-N	-1	0	266.345	2.633	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(N=Nc1cccc(F)n1)CC2	ZINC000814928023	632169308	/nfs/dbraw/zinc/16/93/08/632169308.db2.gz	RRSOCSIMXUGDDE-UHFFFAOYSA-N	-1	0	299.305	2.876	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2nccnc2C2CCC2)c1	ZINC000814932065	632170156	/nfs/dbraw/zinc/17/01/56/632170156.db2.gz	MOXGHFUSDUZWHR-UHFFFAOYSA-N	-1	0	296.330	2.888	20	30		CFEDRM
C=C(C)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814932412	632170305	/nfs/dbraw/zinc/17/03/05/632170305.db2.gz	FAEXJQYVGSNSQP-QWRGUYRKSA-N	-1	0	252.358	2.665	20	30		CFEDRM
CC(=NN[C@H]1CCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814933644	632172014	/nfs/dbraw/zinc/17/20/14/632172014.db2.gz	VIMVOSFTWAITAR-PWSUYJOCSA-N	-1	0	272.414	2.739	20	30		CFEDRM
C[C@@H]1C(=NNC[C@@H]2CCSC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814935877	632173350	/nfs/dbraw/zinc/17/33/50/632173350.db2.gz	SHXGPQUBVYRLAU-GRYCIOLGSA-N	-1	0	298.452	2.842	20	30		CFEDRM
CC[C@H](NN=C1CC(c2cc(F)cc(F)c2)C1)C(=O)[O-]	ZINC000814937585	632174212	/nfs/dbraw/zinc/17/42/12/632174212.db2.gz	LTTPJRJDBWDUMK-NCWAPJAISA-N	-1	0	282.290	2.651	20	30		CFEDRM
Cc1ccsc1C(Cc1ccccc1)=NNCC(=O)[O-]	ZINC000814961150	632180527	/nfs/dbraw/zinc/18/05/27/632180527.db2.gz	XXHUYTFDQGVMOL-UHFFFAOYSA-N	-1	0	288.372	2.678	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000844622423	632265871	/nfs/dbraw/zinc/26/58/71/632265871.db2.gz	ZGOFWTDGUNVDLF-QMMMGPOBSA-N	-1	0	280.280	2.624	20	30		CFEDRM
Cc1c(N=NC2CO[C@@H](C)[C@@H]2C)cccc1C(=O)[O-]	ZINC000844622514	632266901	/nfs/dbraw/zinc/26/69/01/632266901.db2.gz	FDVZCGRXJXTSES-WPRPVWTQSA-N	-1	0	262.309	2.516	20	30		CFEDRM
Cc1c(N=NCCC[C@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844622523	632266989	/nfs/dbraw/zinc/26/69/89/632266989.db2.gz	FHWTXGJTDFEVJL-LBPRGKRZSA-N	-1	0	276.336	2.908	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@@H]1CCOC1	ZINC000844623981	632267812	/nfs/dbraw/zinc/26/78/12/632267812.db2.gz	OXYDAYKSKZTJFB-LLVKDONJSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(NN=C2CCCc3n[nH]cc32)cccc1C(=O)[O-]	ZINC000844624118	632267904	/nfs/dbraw/zinc/26/79/04/632267904.db2.gz	VHWFZSKELXTJMY-UHFFFAOYSA-N	-1	0	284.319	2.569	20	30		CFEDRM
C=C[C@@H](C)ON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000844626288	632268542	/nfs/dbraw/zinc/26/85/42/632268542.db2.gz	SZOMNQLWNCOMGJ-MFKMUULPSA-N	-1	0	259.305	2.944	20	30		CFEDRM
CC[C@H](C)[C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000816499449	632472349	/nfs/dbraw/zinc/47/23/49/632472349.db2.gz	QHTARNVTJIIVPU-HCWXCVPCSA-N	-1	0	283.187	2.980	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3cccnc3CC2)cn1	ZINC000817329647	632604119	/nfs/dbraw/zinc/60/41/19/632604119.db2.gz	CSTXEQWTGIMWLF-UHFFFAOYSA-N	-1	0	296.330	2.522	20	30		CFEDRM
C=C(Br)C[N@@H+](CC(=O)[O-])C1CCCCC1	ZINC000846273526	632679350	/nfs/dbraw/zinc/67/93/50/632679350.db2.gz	YPHJGLUDRVNNLC-UHFFFAOYSA-N	-1	0	276.174	2.614	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCCc2sccc21	ZINC000846536598	632724945	/nfs/dbraw/zinc/72/49/45/632724945.db2.gz	RTYPWAGJFGWNSH-NSHDSACASA-N	-1	0	251.351	2.792	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl	ZINC000846539214	632728229	/nfs/dbraw/zinc/72/82/29/632728229.db2.gz	RFZWUTBTPCUKEI-VIFPVBQESA-N	-1	0	287.718	2.870	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(/C=C\C)cc1OC	ZINC000846542044	632730921	/nfs/dbraw/zinc/73/09/21/632730921.db2.gz	SKSVELXTJPJXCC-HWPRWLFBSA-N	-1	0	291.347	2.729	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccccc1Cl	ZINC000846542772	632731849	/nfs/dbraw/zinc/73/18/49/632731849.db2.gz	BUARELNDAXEDQJ-UWVGGRQHSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000846543392	632732273	/nfs/dbraw/zinc/73/22/73/632732273.db2.gz	JDZIVQRKROGNKR-SNVBAGLBSA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(C)cc2)CCOCC1	ZINC000846546515	632735369	/nfs/dbraw/zinc/73/53/69/632735369.db2.gz	WGXBVXVYRNQNSI-CQSZACIVSA-N	-1	0	289.375	2.666	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)OC1CCCCCC1	ZINC000846546913	632735457	/nfs/dbraw/zinc/73/54/57/632735457.db2.gz	GZBQAOUDIWYYTO-NEPJUHHUSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1csc(C(C)(C)C)n1	ZINC000846549115	632737197	/nfs/dbraw/zinc/73/71/97/632737197.db2.gz	HWZUCYMYAKNNPS-SECBINFHSA-N	-1	0	268.382	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@H]1CCCC[C@H]1CC	ZINC000846549061	632737471	/nfs/dbraw/zinc/73/74/71/632737471.db2.gz	MSIRVVGIODHHGX-XQQFMLRXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1	ZINC000846551678	632739758	/nfs/dbraw/zinc/73/97/58/632739758.db2.gz	XTOYZZCEQOURKS-QWRGUYRKSA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=CCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21	ZINC000846715541	632779881	/nfs/dbraw/zinc/77/98/81/632779881.db2.gz	GTEHVJWCSRJHMD-KBPBESRZSA-N	-1	0	273.332	2.772	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CC23CC3)c1[O-]	ZINC000818992454	632925072	/nfs/dbraw/zinc/92/50/72/632925072.db2.gz	QMSSAKYSIFAWQL-GCIHHOABSA-N	-1	0	266.684	2.925	20	30		CFEDRM
CCOC1CC(CN=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413945	633252439	/nfs/dbraw/zinc/25/24/39/633252439.db2.gz	FQQNJQPMVYPXQN-UHFFFAOYSA-N	-1	0	276.336	2.527	20	30		CFEDRM
CO[C@]1(C)CC(N=Nc2ccc(CC(=O)[O-])cc2)C1(C)C	ZINC000848415948	633253380	/nfs/dbraw/zinc/25/33/80/633253380.db2.gz	UCCRIVTWQOSYAA-MRXNPFEDSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CCC[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848414114	633253545	/nfs/dbraw/zinc/25/35/45/633253545.db2.gz	JKTSBYDIELEOIA-CYBMUJFWSA-N	-1	0	264.325	2.527	20	30		CFEDRM
C#CCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000108250588	633485923	/nfs/dbraw/zinc/48/59/23/633485923.db2.gz	VDVJCPMJFPQJOM-UHFFFAOYSA-N	-1	0	293.369	2.561	20	30		CFEDRM
CC1(C)C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000849169176	633577596	/nfs/dbraw/zinc/57/75/96/633577596.db2.gz	BWJDPEQVZCFTET-YSIZRHRHSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccccc1[O-]	ZINC000849247468	633590035	/nfs/dbraw/zinc/59/00/35/633590035.db2.gz	TZKJBHSKJDZDJE-CMDGGOBGSA-N	-1	0	268.316	2.899	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000850899668	634128341	/nfs/dbraw/zinc/12/83/41/634128341.db2.gz	TWXGNTHEUMAVID-CQSZACIVSA-N	-1	0	295.342	2.749	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@H]3C[C@H]3C2)cc1F	ZINC000853354995	634981847	/nfs/dbraw/zinc/98/18/47/634981847.db2.gz	ZWWRWHNXRCHVSQ-ILWJIGKKSA-N	-1	0	262.284	2.968	20	30		CFEDRM
CC(CSCCF)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000853370628	634985235	/nfs/dbraw/zinc/98/52/35/634985235.db2.gz	RVDYXTPGAFXGOI-UHFFFAOYSA-N	-1	0	284.356	2.804	20	30		CFEDRM
C[C@H](Oc1ccc(C=NN2CCCC[C@H]2C)cc1)C(=O)[O-]	ZINC000853382274	634988928	/nfs/dbraw/zinc/98/89/28/634988928.db2.gz	WRAYJLIOKUPUKE-OLZOCXBDSA-N	-1	0	290.363	2.747	20	30		CFEDRM
C[C@H](CC#N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854474777	635312333	/nfs/dbraw/zinc/31/23/33/635312333.db2.gz	NWNLAOWHZVAPIG-SSDOTTSWSA-N	-1	0	287.146	2.865	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C#CC(C)C)c1	ZINC000854576752	635339580	/nfs/dbraw/zinc/33/95/80/635339580.db2.gz	VCXRNSJDKMDZRM-UHFFFAOYSA-N	-1	0	259.305	2.583	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@]1(c2ccccc2)CC1(C)C	ZINC000855026951	635445153	/nfs/dbraw/zinc/44/51/53/635445153.db2.gz	UUCLZDZYYZDCCJ-INIZCTEOSA-N	-1	0	259.349	2.978	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000855048248	635450282	/nfs/dbraw/zinc/45/02/82/635450282.db2.gz	SEDMEGMLSGZRKV-SNVBAGLBSA-N	-1	0	286.356	2.602	20	30		CFEDRM
C=CCCONC(=O)Cc1ccccc1Br	ZINC000856031078	635702411	/nfs/dbraw/zinc/70/24/11/635702411.db2.gz	DIEQOYBBNDDWES-UHFFFAOYSA-N	-1	0	284.153	2.616	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cccc(C(F)(F)F)c1	ZINC000856028692	635704360	/nfs/dbraw/zinc/70/43/60/635704360.db2.gz	ZKMKUSTVZMIRTE-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](SC)c1ccccc1	ZINC000856032036	635706244	/nfs/dbraw/zinc/70/62/44/635706244.db2.gz	IEFWQXXHALYKLN-LBPRGKRZSA-N	-1	0	251.351	2.715	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Oc1ccccc1F	ZINC000856032055	635706345	/nfs/dbraw/zinc/70/63/45/635706345.db2.gz	FFBFRDJWQKNPCN-GFCCVEGCSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)c1c(F)cccc1F	ZINC000856034543	635710066	/nfs/dbraw/zinc/71/00/66/635710066.db2.gz	PMUALVDVWLWHJY-SECBINFHSA-N	-1	0	255.264	2.692	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048511414	650268957	/nfs/dbraw/zinc/26/89/57/650268957.db2.gz	UCXQVSQVHXRCLP-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000048517823	650268991	/nfs/dbraw/zinc/26/89/91/650268991.db2.gz	AVNVZZJEEGQXHX-UHFFFAOYSA-N	-1	0	267.350	2.912	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518353	650270088	/nfs/dbraw/zinc/27/00/88/650270088.db2.gz	OQOIEUXMGSKEFR-JUDLJHIGSA-N	-1	0	267.350	2.990	20	30		CFEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2)s1	ZINC000049003736	650285468	/nfs/dbraw/zinc/28/54/68/650285468.db2.gz	SZBZMTPKGKMZSZ-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000860445383	636886955	/nfs/dbraw/zinc/88/69/55/636886955.db2.gz	RZQIFZBMWMCGAZ-UHFFFAOYSA-N	-1	0	257.293	2.532	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1coc(C(F)F)c1	ZINC000860463315	636891224	/nfs/dbraw/zinc/89/12/24/636891224.db2.gz	AHXOBUGOYJISLP-JTQLQIEISA-N	-1	0	298.289	2.846	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC000118608947	637252190	/nfs/dbraw/zinc/25/21/90/637252190.db2.gz	KYIACURCOWPYER-RYUDHWBXSA-N	-1	0	255.358	2.669	20	30		CFEDRM
COCCCC1(CN=Nc2ccc(C(=O)[O-])nc2)CCC1	ZINC000863118166	637563229	/nfs/dbraw/zinc/56/32/29/637563229.db2.gz	PRFGLRPIGMQKDX-UHFFFAOYSA-N	-1	0	291.351	2.774	20	30		CFEDRM
CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000075778869	650347457	/nfs/dbraw/zinc/34/74/57/650347457.db2.gz	FKLBZRQVYTYGLY-UHFFFAOYSA-N	-1	0	293.435	2.925	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000864183298	637906799	/nfs/dbraw/zinc/90/67/99/637906799.db2.gz	RPBNMHUVQZZBFF-QWHCGFSZSA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)SCCCC)C(=O)[O-]	ZINC000864185109	637907217	/nfs/dbraw/zinc/90/72/17/637907217.db2.gz	SWAZBXSGCAHJFE-ZJUUUORDSA-N	-1	0	293.816	2.620	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)C(=O)[O-]	ZINC000864186056	637907380	/nfs/dbraw/zinc/90/73/80/637907380.db2.gz	HYGANESQDOSPEI-LSJOCFKGSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864184560	637907784	/nfs/dbraw/zinc/90/77/84/637907784.db2.gz	ORGZYHWZDCDAJQ-GXFFZTMASA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000864187648	637909256	/nfs/dbraw/zinc/90/92/56/637909256.db2.gz	APFSDBYWADJCQY-GFCCVEGCSA-N	-1	0	299.729	2.714	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000864188914	637909282	/nfs/dbraw/zinc/90/92/82/637909282.db2.gz	XNMOYVZKDWQVMQ-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1	ZINC000864210359	637916358	/nfs/dbraw/zinc/91/63/58/637916358.db2.gz	LZCOWHVJZRVQGK-TXPWEPMLSA-N	-1	0	299.370	2.716	20	30		CFEDRM
CS[C@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000864347635	637948752	/nfs/dbraw/zinc/94/87/52/637948752.db2.gz	VDPTVCBXLSIVLU-GXIKPWHLSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)NC[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000864527657	638012639	/nfs/dbraw/zinc/01/26/39/638012639.db2.gz	GVJMMEVTHLVGMI-SCZZXKLOSA-N	-1	0	290.791	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1cccc(CC)c1)C(=O)[O-]	ZINC000864581659	638033201	/nfs/dbraw/zinc/03/32/01/638033201.db2.gz	ZHBIEKQVDUOTGW-LBPRGKRZSA-N	-1	0	296.754	2.966	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000076756697	650401299	/nfs/dbraw/zinc/40/12/99/650401299.db2.gz	OKQLAUDCPYTJLW-QMMMGPOBSA-N	-1	0	261.368	2.830	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1	ZINC000076761912	650401727	/nfs/dbraw/zinc/40/17/27/650401727.db2.gz	ZYOVKMVCKSGVJX-GHMZBOCLSA-N	-1	0	261.387	2.899	20	30		CFEDRM
CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000076877504	650408426	/nfs/dbraw/zinc/40/84/26/650408426.db2.gz	QRKQTUBBJPUVMJ-LBPRGKRZSA-N	-1	0	290.429	2.890	20	30		CFEDRM
C[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])C(F)(F)F	ZINC000866358537	638803397	/nfs/dbraw/zinc/80/33/97/638803397.db2.gz	JKWLUMXOFNUNGW-JGVFFNPUSA-N	-1	0	258.243	2.865	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077879469	650459180	/nfs/dbraw/zinc/45/91/80/650459180.db2.gz	PLXDKIPHBUJNEU-YPMHNXCESA-N	-1	0	299.392	2.849	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1Cc2ccc(Cl)cc21	ZINC000869153838	639050268	/nfs/dbraw/zinc/05/02/68/639050268.db2.gz	XMGLZMQAVXLLQA-GFCCVEGCSA-N	-1	0	251.713	2.604	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](CC)c1ccccc1	ZINC000191256414	650485705	/nfs/dbraw/zinc/48/57/05/650485705.db2.gz	FRJLYNQMJDSSOI-ZDUSSCGKSA-N	-1	0	275.348	2.670	20	30		CFEDRM
N#CC(=C([O-])c1coc(C#N)c1)c1nc(C2CC2)cs1	ZINC000870443824	639641910	/nfs/dbraw/zinc/64/19/10/639641910.db2.gz	AYXPNVLDZRQOAZ-NSHDSACASA-N	-1	0	283.312	2.975	20	30		CFEDRM
Cc1conc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000870454518	639645329	/nfs/dbraw/zinc/64/53/29/639645329.db2.gz	LPPWZOWMLJWTQS-CYBMUJFWSA-N	-1	0	294.310	2.606	20	30		CFEDRM
C[C@H]1CCC[C@@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689745	639772620	/nfs/dbraw/zinc/77/26/20/639772620.db2.gz	AURYCSNTINSYIM-XHDPSFHLSA-N	-1	0	258.321	2.795	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000078701329	650524622	/nfs/dbraw/zinc/52/46/22/650524622.db2.gz	BHSHVVFDIQNMDX-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1	ZINC000123313646	639808569	/nfs/dbraw/zinc/80/85/69/639808569.db2.gz	TZWFEJSLPWOABZ-UHFFFAOYSA-N	-1	0	255.248	2.765	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CCC1	ZINC000192220482	650549970	/nfs/dbraw/zinc/54/99/70/650549970.db2.gz	XALGLAMEAUJMHU-UHFFFAOYSA-N	-1	0	299.436	2.759	20	30		CFEDRM
O=C(CC1CCCCCC1)[N-]S(=O)(=O)N1CCCC1	ZINC000079148819	650564893	/nfs/dbraw/zinc/56/48/93/650564893.db2.gz	FXFGLDQOAYDPLZ-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccncc1	ZINC000192762814	650592353	/nfs/dbraw/zinc/59/23/53/650592353.db2.gz	IKNNJGMFDLNEAG-HNQUOIGGSA-N	-1	0	270.244	2.592	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@H](CCC)CC(C)C)CC1	ZINC000870837586	641091518	/nfs/dbraw/zinc/09/15/18/641091518.db2.gz	RCTFWGQPPKLMIR-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CCC)CC(C)C)CC1	ZINC000870837587	641091818	/nfs/dbraw/zinc/09/18/18/641091818.db2.gz	RCTFWGQPPKLMIR-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1	ZINC000193369271	650647502	/nfs/dbraw/zinc/64/75/02/650647502.db2.gz	YQIDVNREXUMQSI-OAHLLOKOSA-N	-1	0	286.375	2.932	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000871647006	641380051	/nfs/dbraw/zinc/38/00/51/641380051.db2.gz	VKRPKZMKCDCQDW-OAHLLOKOSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N([C@@H](C)C(=O)[O-])C1CC1	ZINC000871647108	641380304	/nfs/dbraw/zinc/38/03/04/641380304.db2.gz	YUJNQEFAGQUXJB-NSHDSACASA-N	-1	0	282.384	2.626	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1Cl	ZINC000080298752	650661444	/nfs/dbraw/zinc/66/14/44/650661444.db2.gz	WXRZOKGWCBXWEP-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C=C(C)CNc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1	ZINC000871848676	641479813	/nfs/dbraw/zinc/47/98/13/641479813.db2.gz	QNPFCQHTHXOFDB-UHFFFAOYSA-N	-1	0	290.260	2.992	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3cc(C#N)cc(Cl)n3)c(=O)c2C1	ZINC000871954518	641527269	/nfs/dbraw/zinc/52/72/69/641527269.db2.gz	KGOTWTQPFFJXGT-PSASIEDQSA-N	-1	0	288.738	2.745	20	30		CFEDRM
N#Cc1cc(Cl)nc(-n2[n-]c3c(c2=O)CCCCC3)c1	ZINC000871954408	641527479	/nfs/dbraw/zinc/52/74/79/641527479.db2.gz	JWEYUEBLAZSNIK-JTQLQIEISA-N	-1	0	288.738	2.890	20	30		CFEDRM
Cc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N	ZINC000871964017	641534936	/nfs/dbraw/zinc/53/49/36/641534936.db2.gz	NXQJNKNARJJRRU-ZIAGYGMSSA-N	-1	0	289.379	2.616	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1	ZINC000019422970	641748368	/nfs/dbraw/zinc/74/83/68/641748368.db2.gz	HNXNRCPUFXDFPD-UHFFFAOYSA-N	-1	0	292.747	2.517	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1)[C@H]1CCCOC1	ZINC000872325614	641756755	/nfs/dbraw/zinc/75/67/55/641756755.db2.gz	ZBSHZVOSSOXJBC-LBPRGKRZSA-N	-1	0	276.336	2.989	20	30		CFEDRM
O=C([O-])c1cccc2c1C(=NOCC(F)(F)F)CC2	ZINC000872358095	641766045	/nfs/dbraw/zinc/76/60/45/641766045.db2.gz	NNVOHNMHJPYKOM-UHFFFAOYSA-N	-1	0	273.210	2.614	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000872379969	641783111	/nfs/dbraw/zinc/78/31/11/641783111.db2.gz	AHAINXAROQZZGK-RXMQYKEDSA-N	-1	0	268.185	2.545	20	30		CFEDRM
CC(=NN1CCC1)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000872398493	641791801	/nfs/dbraw/zinc/79/18/01/641791801.db2.gz	SMDSDJGPTUGUOV-UHFFFAOYSA-N	-1	0	286.331	2.798	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sccc1C(F)F)C(=O)[O-]	ZINC000872724719	641912613	/nfs/dbraw/zinc/91/26/13/641912613.db2.gz	KUYMEJMUTIZZMM-QMMMGPOBSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CC)CCC)C(=O)[O-]	ZINC000872740893	641918121	/nfs/dbraw/zinc/91/81/21/641918121.db2.gz	QTCCLCOFECMUAQ-VHSXEESVSA-N	-1	0	261.749	2.525	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)[C@@H](C)CCOc1ccccc1	ZINC000080667860	650703040	/nfs/dbraw/zinc/70/30/40/650703040.db2.gz	SUKBPLHLAXRJBW-LBPRGKRZSA-N	-1	0	299.392	2.788	20	30		CFEDRM
CCCCCCCNC(=O)C[C@]1(C(=O)[O-])CCSC1	ZINC000872880985	641955107	/nfs/dbraw/zinc/95/51/07/641955107.db2.gz	LGFWRFXUHWNOPQ-CQSZACIVSA-N	-1	0	287.425	2.671	20	30		CFEDRM
C#CCN(C(=O)C(C)(C)CCC(=O)[O-])C1CCCCC1	ZINC000872914885	641962478	/nfs/dbraw/zinc/96/24/78/641962478.db2.gz	SHAVARUVIWYSNH-UHFFFAOYSA-N	-1	0	279.380	2.672	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)C[C@@H](C(=O)[O-])c2ccccc2)C1	ZINC000872981879	641976683	/nfs/dbraw/zinc/97/66/83/641976683.db2.gz	OTIDVXPMTCLPMZ-GDBMZVCRSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000873004511	641982637	/nfs/dbraw/zinc/98/26/37/641982637.db2.gz	KXTDDSGAHDBVHV-FVQBIDKESA-N	-1	0	299.370	2.553	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)CC(CC)(CC)C(=O)[O-])CC1	ZINC000873005527	641982663	/nfs/dbraw/zinc/98/26/63/641982663.db2.gz	WKVXAPCOFOGSDK-JOCQHMNTSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000873005275	641982725	/nfs/dbraw/zinc/98/27/25/641982725.db2.gz	NWJPSRDJUJTISZ-QWHCGFSZSA-N	-1	0	279.380	2.762	20	30		CFEDRM
CCC(C#N)(CC)C(=O)[N-]Oc1ccccc1F	ZINC000874910840	642550498	/nfs/dbraw/zinc/55/04/98/642550498.db2.gz	IVZSMHWZYLQEGL-UHFFFAOYSA-N	-1	0	250.273	2.566	20	30		CFEDRM
N#Cc1cc(F)ccc1-c1cc(C=O)cc(C(=O)[O-])c1	ZINC000874969065	642565790	/nfs/dbraw/zinc/56/57/90/642565790.db2.gz	BBCSJQIFRODSED-UHFFFAOYSA-N	-1	0	269.231	2.875	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cn(C3CCC3)nn2)c1	ZINC000876497741	642892994	/nfs/dbraw/zinc/89/29/94/642892994.db2.gz	BLQAXMBWKITPOU-FPLPWBNLSA-N	-1	0	297.314	2.597	20	30		CFEDRM
CC(C)CCSCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054289	650794630	/nfs/dbraw/zinc/79/46/30/650794630.db2.gz	GPRVVKYHLWLSRM-UHFFFAOYSA-N	-1	0	293.454	2.995	20	30		CFEDRM
Cc1oc(C)c(C(=O)[N-]S(=O)(=O)C2CCCC2)c1C	ZINC000086055106	650794889	/nfs/dbraw/zinc/79/48/89/650794889.db2.gz	WPHVAJOVMZJOTC-UHFFFAOYSA-N	-1	0	285.365	2.782	20	30		CFEDRM
CC[C@@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000087510610	650804115	/nfs/dbraw/zinc/80/41/15/650804115.db2.gz	JPWZWOMXLAAWGC-JTQLQIEISA-N	-1	0	269.304	2.629	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127881070	644354473	/nfs/dbraw/zinc/35/44/73/644354473.db2.gz	CTWUHUNMRUXWAZ-OAHLLOKOSA-N	-1	0	296.326	2.794	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc1C	ZINC000128717275	644875267	/nfs/dbraw/zinc/87/52/67/644875267.db2.gz	PRPFKSPJNVJVNG-CYBMUJFWSA-N	-1	0	288.347	2.668	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)[nH]1	ZINC000130771746	645569696	/nfs/dbraw/zinc/56/96/96/645569696.db2.gz	TWACHUCICMXJOS-UHFFFAOYSA-N	-1	0	284.300	2.569	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C(F)(F)c2ccccc2)c1	ZINC000132488223	645922690	/nfs/dbraw/zinc/92/26/90/645922690.db2.gz	FRJLJOQLCAYIEV-UHFFFAOYSA-N	-1	0	288.253	2.994	20	30		CFEDRM
N#Cc1cc(N2CCCC[C@@H]2CC(=O)[O-])c2ccccc2n1	ZINC000886914171	647173769	/nfs/dbraw/zinc/17/37/69/647173769.db2.gz	ROUPBHZQPIQIRR-CYBMUJFWSA-N	-1	0	295.342	2.940	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1C1CC1	ZINC000887315915	647267797	/nfs/dbraw/zinc/26/77/97/647267797.db2.gz	FLMWLWZBNQNBMV-CABCVRRESA-N	-1	0	298.342	2.875	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])CC1	ZINC000887326614	647272117	/nfs/dbraw/zinc/27/21/17/647272117.db2.gz	HYIUJELTKNRAFI-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000887327154	647273077	/nfs/dbraw/zinc/27/30/77/647273077.db2.gz	YPQHBGMJTXFVTK-SNVBAGLBSA-N	-1	0	255.358	2.594	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000302459665	647407748	/nfs/dbraw/zinc/40/77/48/647407748.db2.gz	DRKZNSNOKIRHDI-OLZOCXBDSA-N	-1	0	269.385	2.916	20	30		CFEDRM
CCCCCCCCC(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000103550558	647512659	/nfs/dbraw/zinc/51/26/59/647512659.db2.gz	KGXLBGKOWCNFAI-UHFFFAOYSA-N	-1	0	281.356	2.657	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926567288	648536507	/nfs/dbraw/zinc/53/65/07/648536507.db2.gz	PFURSMBYDKWIAZ-MNOVXSKESA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000930117695	649188168	/nfs/dbraw/zinc/18/81/68/649188168.db2.gz	VDLMAYGMSGNPDV-UHFFFAOYSA-N	-1	0	255.264	2.709	20	30		CFEDRM
C=CC[C@@H]1CCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000934467753	649789713	/nfs/dbraw/zinc/78/97/13/649789713.db2.gz	UHBKMOKIXSUGKQ-SECBINFHSA-N	-1	0	261.350	2.547	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1F	ZINC000119789896	651300381	/nfs/dbraw/zinc/30/03/81/651300381.db2.gz	SKMMSQQAIZHQEC-CYBMUJFWSA-N	-1	0	288.322	2.515	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000120043208	651302963	/nfs/dbraw/zinc/30/29/63/651302963.db2.gz	XPPVLOKMBIPLOH-UHFFFAOYSA-N	-1	0	289.422	2.914	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240847	776762196	/nfs/dbraw/zinc/76/21/96/776762196.db2.gz	YTGRJNSOWYZVFL-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240584	776762553	/nfs/dbraw/zinc/76/25/53/776762553.db2.gz	WVBNDQQFYBJCPX-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
CC1(C)CC(=O)C=C(Nc2cc(=O)[n-]c(Cl)n2)C1	ZINC001210149872	770219682	/nfs/dbraw/zinc/21/96/82/770219682.db2.gz	XJSPDQNSGPYIFP-UHFFFAOYSA-N	-1	0	267.716	2.521	20	30		CFEDRM
N#Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F	ZINC000693448137	770647061	/nfs/dbraw/zinc/64/70/61/770647061.db2.gz	XDEQTVVHHCURNW-WKFQBHICSA-N	-1	0	284.237	2.852	20	30		CFEDRM
COc1c(O)cccc1Nc1c(C#N)cccc1C#N	ZINC001216350233	770885297	/nfs/dbraw/zinc/88/52/97/770885297.db2.gz	NWCYMTCWYQZSNZ-UHFFFAOYSA-N	-1	0	265.272	2.888	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](OCCCS(=O)(=O)[O-])C1	ZINC001224894848	775301880	/nfs/dbraw/zinc/30/18/80/775301880.db2.gz	YEVNGNKIDWRMIT-QWHCGFSZSA-N	-1	0	274.382	2.582	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@H](C)Cc2ccccc2)[nH]1	ZINC001225470389	775468585	/nfs/dbraw/zinc/46/85/85/775468585.db2.gz	WMELXUKOAUCWEO-GFCCVEGCSA-N	-1	0	268.316	2.977	20	30		CFEDRM
C#C[C@@H](Oc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1	ZINC001225514902	775488136	/nfs/dbraw/zinc/48/81/36/775488136.db2.gz	PZQGHQXCDKNCNA-OAHLLOKOSA-N	-1	0	288.324	2.687	20	30		CFEDRM
N#CC[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225561797	775501706	/nfs/dbraw/zinc/50/17/06/775501706.db2.gz	BWDHMJFBEWNXRS-JTQLQIEISA-N	-1	0	275.695	2.869	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1sccc1CC	ZINC000149000237	775525613	/nfs/dbraw/zinc/52/56/13/775525613.db2.gz	KVNNRZBDYBOQAV-GFCCVEGCSA-N	-1	0	292.404	2.939	20	30		CFEDRM
C[C@H](COc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226013620	775669418	/nfs/dbraw/zinc/66/94/18/775669418.db2.gz	OVJDZJMXUXGWDE-SNVBAGLBSA-N	-1	0	288.278	2.644	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCCc2cccnc21	ZINC001226014647	775669570	/nfs/dbraw/zinc/66/95/70/775669570.db2.gz	YUTFVEOGUVIYEK-LBPRGKRZSA-N	-1	0	285.278	2.649	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)Cc2ccco2)c1C#N	ZINC001226223211	775742867	/nfs/dbraw/zinc/74/28/67/775742867.db2.gz	MOINTEXZANXXPY-SNVBAGLBSA-N	-1	0	258.277	2.570	20	30		CFEDRM
C=C(C)C[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=C)C	ZINC001226416321	775811759	/nfs/dbraw/zinc/81/17/59/775811759.db2.gz	MNCSTEOIMLPHND-CYBMUJFWSA-N	-1	0	298.360	2.929	20	30		CFEDRM
C=CC[C@@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(C)C	ZINC001226417495	775813327	/nfs/dbraw/zinc/81/33/27/775813327.db2.gz	UFDFHAIDXGHMAZ-LLVKDONJSA-N	-1	0	286.349	2.618	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc(C)[n-]c(=O)c2F)C(C)(C)O1	ZINC001226422887	775815459	/nfs/dbraw/zinc/81/54/59/775815459.db2.gz	BSHFBEJBSTXFDU-MEBBXXQBSA-N	-1	0	296.342	2.911	20	30		CFEDRM
CCCCCCC[C@@H](CCC)Oc1c([O-])c(=O)c1=O	ZINC001226607892	775891591	/nfs/dbraw/zinc/89/15/91/775891591.db2.gz	UNBXFCDQBZAIJK-LLVKDONJSA-N	-1	0	268.353	2.896	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)nc3cnncc32)C1	ZINC001226689072	775920830	/nfs/dbraw/zinc/92/08/30/775920830.db2.gz	ZGMUVRBTPKGMLL-FZMZJTMJSA-N	-1	0	298.346	2.805	20	30		CFEDRM
C=CCOc1ccccc1[C@H](C)Oc1cc(=O)[nH]cn1	ZINC001226944014	776028383	/nfs/dbraw/zinc/02/83/83/776028383.db2.gz	CEQHMJDGWDVHFB-NSHDSACASA-N	-1	0	272.304	2.887	20	30		CFEDRM
C=C[C@@H](CC)Oc1ccc(S(=O)(=O)[O-])c2cccnc12	ZINC001227438314	776203202	/nfs/dbraw/zinc/20/32/02/776203202.db2.gz	NMGJIJIAPBSQNQ-JTQLQIEISA-N	-1	0	293.344	2.825	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2ccccc2c1	ZINC000124669272	776213308	/nfs/dbraw/zinc/21/33/08/776213308.db2.gz	CVGPWJLSYCBWCE-MRXNPFEDSA-N	-1	0	292.338	2.785	20	30		CFEDRM
C#C[C@@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602158	776239259	/nfs/dbraw/zinc/23/92/59/776239259.db2.gz	NSRUXIQHCZLHPW-LURJTMIESA-N	-1	0	261.108	2.670	20	30		CFEDRM
C#C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)c1ccncc1	ZINC001227605048	776240994	/nfs/dbraw/zinc/24/09/94/776240994.db2.gz	CIUYADYVFURMMC-QMMMGPOBSA-N	-1	0	296.113	2.637	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227625667	776247793	/nfs/dbraw/zinc/24/77/93/776247793.db2.gz	BDQAMKBIVJANOT-MRVPVSSYSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=CC[C@H](Oc1ccc(-n2nn[n-]c2=S)cc1)C(C)C	ZINC001228439946	776491602	/nfs/dbraw/zinc/49/16/02/776491602.db2.gz	BUPRNUUVMMFFPN-ZDUSSCGKSA-N	-1	0	290.392	2.931	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)ncc1Cl	ZINC001228479235	776503094	/nfs/dbraw/zinc/50/30/94/776503094.db2.gz	BUUYBRMDFSJXQH-VIFPVBQESA-N	-1	0	254.717	2.797	20	30		CFEDRM
C#C[C@@H](Oc1c(O)ccc2c(C)cc(=O)oc21)C(C)C	ZINC001228621488	776542796	/nfs/dbraw/zinc/54/27/96/776542796.db2.gz	AONSFXRFFIYSNZ-CYBMUJFWSA-N	-1	0	272.300	2.844	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-]	ZINC001228814427	776620783	/nfs/dbraw/zinc/62/07/83/776620783.db2.gz	NRDSMJOWQBJZRG-SECBINFHSA-N	-1	0	293.275	2.597	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCc2c1nccc2Cl	ZINC001228898709	776650067	/nfs/dbraw/zinc/65/00/67/776650067.db2.gz	KQZWUKZFDCMMJM-NSHDSACASA-N	-1	0	287.706	2.774	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccc(F)cc1	ZINC001228899076	776650094	/nfs/dbraw/zinc/65/00/94/776650094.db2.gz	RDNXHOFIVRQIHV-SECBINFHSA-N	-1	0	258.252	2.938	20	30		CFEDRM
COc1cccc([C@@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228903609	776652921	/nfs/dbraw/zinc/65/29/21/776652921.db2.gz	ZHQPRWKBXRLTEG-SNVBAGLBSA-N	-1	0	270.288	2.807	20	30		CFEDRM
C=C[C@H](C)Oc1[n-]c(=O)nc2ccc(Cl)cc21	ZINC001228911081	776654856	/nfs/dbraw/zinc/65/48/56/776654856.db2.gz	AAOXLEPJAODFQN-ZETCQYMHSA-N	-1	0	250.685	2.942	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973850	776674077	/nfs/dbraw/zinc/67/40/77/776674077.db2.gz	NQMCAORTCFXAIU-LLVKDONJSA-N	-1	0	291.303	2.989	20	30		CFEDRM
CC#CC[C@H](CC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973807	776674577	/nfs/dbraw/zinc/67/45/77/776674577.db2.gz	MONCFLURFPYENL-JTQLQIEISA-N	-1	0	265.265	2.577	20	30		CFEDRM
C=CC(C=C)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229790690	776892646	/nfs/dbraw/zinc/89/26/46/776892646.db2.gz	BYXSCOZUPKTZIE-UHFFFAOYSA-N	-1	0	297.336	2.712	20	30		CFEDRM
C#CC(C#C)Oc1ccc2c(c1)oc(=O)c1cc([O-])ccc12	ZINC001229797616	776893615	/nfs/dbraw/zinc/89/36/15/776893615.db2.gz	IDYJCLWXMAHWIM-UHFFFAOYSA-N	-1	0	290.274	2.666	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1nc[n-]c(=O)c1Cl	ZINC001230015735	776939663	/nfs/dbraw/zinc/93/96/63/776939663.db2.gz	BAAROGYRRCWTEX-SECBINFHSA-N	-1	0	266.728	2.819	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc[n-]c(=O)c1Cl	ZINC001230016335	776940025	/nfs/dbraw/zinc/94/00/25/776940025.db2.gz	GOYVPXBMDNHDBI-LURJTMIESA-N	-1	0	262.762	2.701	20	30		CFEDRM
C=C(C)C[C@H](Oc1nc(Cl)[n-]c(=O)n1)C(=C)C	ZINC001230241060	776963719	/nfs/dbraw/zinc/96/37/19/776963719.db2.gz	STFJBZMCFQPCNQ-QMMMGPOBSA-N	-1	0	255.705	2.520	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230241869	776964559	/nfs/dbraw/zinc/96/45/59/776964559.db2.gz	QWXCAFNHMURVFI-VHSXEESVSA-N	-1	0	281.743	2.910	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230280688	776970912	/nfs/dbraw/zinc/97/09/12/776970912.db2.gz	YTEICVHGBZXAIS-SNVBAGLBSA-N	-1	0	252.314	2.710	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074639	777132971	/nfs/dbraw/zinc/13/29/71/777132971.db2.gz	QIAGSEQQRMVQLZ-VIFPVBQESA-N	-1	0	260.268	2.984	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc12	ZINC001231350157	777198075	/nfs/dbraw/zinc/19/80/75/777198075.db2.gz	RJRNURFPJFGUQR-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231347824	777198328	/nfs/dbraw/zinc/19/83/28/777198328.db2.gz	SZQBQZSTKQXHRY-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@](C)(CC)Nc1ncc(Cl)cc1C(=O)[O-]	ZINC000711756034	777234112	/nfs/dbraw/zinc/23/41/12/777234112.db2.gz	LUDQHAYZLUKNFY-GFCCVEGCSA-N	-1	0	252.701	2.647	20	30		CFEDRM
C=C[C@@H](C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226063945	777411126	/nfs/dbraw/zinc/41/11/26/777411126.db2.gz	MYDHAEVNRJUYNG-ZCFIWIBFSA-N	-1	0	258.199	2.631	20	30		CFEDRM
N#CC1CN(Cc2ccc(Cl)c([O-])c2Cl)CCC1=O	ZINC001232631614	777625833	/nfs/dbraw/zinc/62/58/33/777625833.db2.gz	OHVUDXXAKVMFGC-VIFPVBQESA-N	-1	0	299.157	2.614	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cl)o1	ZINC000127305572	777974495	/nfs/dbraw/zinc/97/44/95/777974495.db2.gz	POEQRWSHHAUHEG-JTQLQIEISA-N	-1	0	294.738	2.704	20	30		CFEDRM
C[C@@H](Oc1cc([O-])cc2occc(=O)c12)[C@H](C)S	ZINC001233833976	778089967	/nfs/dbraw/zinc/08/99/67/778089967.db2.gz	KAOYAMLOJHDXLG-SFYZADRCSA-N	-1	0	266.318	2.584	20	30		CFEDRM
C=C[C@H](CCCCCCC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939034	778118922	/nfs/dbraw/zinc/11/89/22/778118922.db2.gz	GMTAREIHDXASMD-LLVKDONJSA-N	-1	0	290.367	2.940	20	30		CFEDRM
C=CCCCCCC[C@@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233940248	778119015	/nfs/dbraw/zinc/11/90/15/778119015.db2.gz	UTGMYQCVSVLPMT-LLVKDONJSA-N	-1	0	290.367	2.940	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1	ZINC001228483766	778130486	/nfs/dbraw/zinc/13/04/86/778130486.db2.gz	XKDAKCYJTPZPCA-LLVKDONJSA-N	-1	0	275.695	2.869	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)ccc1C#N	ZINC001228903616	778206596	/nfs/dbraw/zinc/20/65/96/778206596.db2.gz	ZQDGIEPAABUDAT-GFCCVEGCSA-N	-1	0	256.305	2.642	20	30		CFEDRM
C[C@H](Oc1[nH]c(=O)nc2ccc(C#N)cc21)C1=CC=C[CH]1	ZINC001234530749	778244727	/nfs/dbraw/zinc/24/47/27/778244727.db2.gz	MAYYGBXMDUQNCB-JTQLQIEISA-N	-1	0	278.291	2.675	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(OC(C3CC3)C3CC3)c2c1	ZINC001234530932	778246139	/nfs/dbraw/zinc/24/61/39/778246139.db2.gz	ORNVABAKJMNKSY-UHFFFAOYSA-N	-1	0	281.315	2.774	20	30		CFEDRM
C=CC[C@@H](C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234572266	778254873	/nfs/dbraw/zinc/25/48/73/778254873.db2.gz	KLJXHMRXLZJMRN-ZCFIWIBFSA-N	-1	0	273.130	2.597	20	30		CFEDRM
C#CC[C@@H](C)Oc1nc[nH]c(=O)c1-c1ccccc1	ZINC001234690843	778288786	/nfs/dbraw/zinc/28/87/86/778288786.db2.gz	FSXNRUJTTZTARZ-LLVKDONJSA-N	-1	0	254.289	2.640	20	30		CFEDRM
C#CC[C@H](C)Oc1nc[nH]c(=O)c1-c1ccccc1	ZINC001234690844	778289131	/nfs/dbraw/zinc/28/91/31/778289131.db2.gz	FSXNRUJTTZTARZ-NSHDSACASA-N	-1	0	254.289	2.640	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C3(C(=O)[O-])CC3)cc2)n1	ZINC001235029460	778359418	/nfs/dbraw/zinc/35/94/18/778359418.db2.gz	RUTISJMVIVEDNP-UHFFFAOYSA-N	-1	0	294.310	2.745	20	30		CFEDRM
N#Cc1cccnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235027955	778359621	/nfs/dbraw/zinc/35/96/21/778359621.db2.gz	GOWWJDYWTWJAHW-VMPITWQZSA-N	-1	0	250.257	2.718	20	30		CFEDRM
CN(CCC#N)Cc1cc(Br)cc(F)c1[O-]	ZINC001235058251	778368692	/nfs/dbraw/zinc/36/86/92/778368692.db2.gz	ZXDFQXIOYPTKLE-UHFFFAOYSA-N	-1	0	287.132	2.639	20	30		CFEDRM
Cc1cc(-c2ccc(F)c(C#N)c2)cnc1C(=O)[O-]	ZINC001235895906	778596687	/nfs/dbraw/zinc/59/66/87/778596687.db2.gz	UEYOLTQRPBYTRK-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2c(F)cc(F)c([O-])c2F)nc1CC#N	ZINC001235995115	778646242	/nfs/dbraw/zinc/64/62/42/778646242.db2.gz	WTAOEOBEMDWPDB-UHFFFAOYSA-N	-1	0	294.232	2.946	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000129076106	778668044	/nfs/dbraw/zinc/66/80/44/778668044.db2.gz	UNKOEKYVEWCOLU-LLVKDONJSA-N	-1	0	297.141	2.594	20	30		CFEDRM
COc1cccc(-c2ccc(C(=O)[O-])cc2)c1C#N	ZINC001236061673	778674148	/nfs/dbraw/zinc/67/41/48/778674148.db2.gz	GFIRAEJWNRNWJV-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
Cc1cnc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236112622	778698599	/nfs/dbraw/zinc/69/85/99/778698599.db2.gz	AMHMRJKFUNGSKP-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
Cc1c(Cl)c(-c2cnc(C#N)nc2)ccc1C(=O)[O-]	ZINC001236121602	778701951	/nfs/dbraw/zinc/70/19/51/778701951.db2.gz	XPQSHLPLWIVNMV-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1nc(C#N)cc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236150630	778718932	/nfs/dbraw/zinc/71/89/32/778718932.db2.gz	HVZILEOENATCMR-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
Cc1ccc(F)c(-c2ncc3c(C#N)c[nH]c3n2)c1[O-]	ZINC001236390292	778798988	/nfs/dbraw/zinc/79/89/88/778798988.db2.gz	IRNJIEZDSXUQLN-UHFFFAOYSA-N	-1	0	268.251	2.650	20	30		CFEDRM
Cc1ccc(F)c(-c2nc3c(cc2C#N)COCC3)c1[O-]	ZINC001236392638	778800354	/nfs/dbraw/zinc/80/03/54/778800354.db2.gz	QMDKWVYQXJSDMO-UHFFFAOYSA-N	-1	0	284.290	2.846	20	30		CFEDRM
O=C1c2ccccc2C(=O)C1=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000176378957	779115579	/nfs/dbraw/zinc/11/55/79/779115579.db2.gz	ILPYQJVGNXOEGU-UHFFFAOYSA-N	-1	0	295.250	2.763	20	30		CFEDRM
CCCc1ncc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000176407164	779125905	/nfs/dbraw/zinc/12/59/05/779125905.db2.gz	FAUWYQZRQWMMNF-UHFFFAOYSA-N	-1	0	287.344	2.925	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(F)cc(Cl)c1[O-]	ZINC001237805873	779183236	/nfs/dbraw/zinc/18/32/36/779183236.db2.gz	OVQVPWLPOFDESF-UHFFFAOYSA-N	-1	0	281.718	2.814	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239246461	779483923	/nfs/dbraw/zinc/48/39/23/779483923.db2.gz	BIJYLXNWXTVRIL-UHFFFAOYSA-N	-1	0	288.278	2.854	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1F)CCC2	ZINC001239251324	779484315	/nfs/dbraw/zinc/48/43/15/779484315.db2.gz	ZZCXNGKLKJDOIG-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
CC(C)(C)[C@](C)(C#N)NC(=O)c1cccc(F)c1[O-]	ZINC001127533257	779516973	/nfs/dbraw/zinc/51/69/73/779516973.db2.gz	OTXJDSUNRZKSAU-AWEZNQCLSA-N	-1	0	264.300	2.589	20	30		CFEDRM
COc1cnc(F)cc1-c1ccc(/C=N/[O-])c(F)c1	ZINC001239043024	779879878	/nfs/dbraw/zinc/87/98/78/779879878.db2.gz	WTCRGFQBLDMEGO-UBKPWBPPSA-N	-1	0	264.231	2.844	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548811	780242353	/nfs/dbraw/zinc/24/23/53/780242353.db2.gz	YWSPPQLSCPPGKE-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1cc(F)cc(-c2noc(-c3ncccc3[O-])n2)c1	ZINC001212480682	780395719	/nfs/dbraw/zinc/39/57/19/780395719.db2.gz	CLDXAVCWRKTFGP-UHFFFAOYSA-N	-1	0	282.234	2.515	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C)c(C#N)cn1	ZINC001240733434	780400988	/nfs/dbraw/zinc/40/09/88/780400988.db2.gz	DXJJKRDFAGNJHY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C)c(C#N)n1	ZINC001240734326	780402163	/nfs/dbraw/zinc/40/21/63/780402163.db2.gz	VIEYMUZNZUNZJN-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])s1	ZINC001240847044	780473080	/nfs/dbraw/zinc/47/30/80/780473080.db2.gz	KYAZZVDWQCXNBQ-UHFFFAOYSA-N	-1	0	269.285	2.813	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])s3)cn12	ZINC001240847273	780473268	/nfs/dbraw/zinc/47/32/68/780473268.db2.gz	FWFRHKFFMYHBOP-UHFFFAOYSA-N	-1	0	269.285	2.633	20	30		CFEDRM
Cc1cc(-c2ccc(CC(=O)[O-])cc2)ncc1C#N	ZINC001240973163	780561860	/nfs/dbraw/zinc/56/18/60/780561860.db2.gz	ZZDMBEOQYUMJOK-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#CCc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1C#N	ZINC001240973898	780562569	/nfs/dbraw/zinc/56/25/69/780562569.db2.gz	QMPVQZLVGVUWRM-UHFFFAOYSA-N	-1	0	276.295	2.918	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccs1	ZINC000125576278	780575480	/nfs/dbraw/zinc/57/54/80/780575480.db2.gz	YKUBPTWLZNPFRY-NSHDSACASA-N	-1	0	278.377	2.767	20	30		CFEDRM
COc1cc(-c2cc(C(=O)[O-])ccc2C)ncc1C#N	ZINC001240998376	780581420	/nfs/dbraw/zinc/58/14/20/780581420.db2.gz	BZJJMBBVMTWBIM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncnc2[nH]cc(C#N)c21	ZINC001240998448	780582619	/nfs/dbraw/zinc/58/26/19/780582619.db2.gz	FPLYJWYTYIHTDC-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1cnc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001212512057	780617296	/nfs/dbraw/zinc/61/72/96/780617296.db2.gz	SSSXRJUDGDIVPL-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
Cc1ccnc(C#N)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212512262	780620547	/nfs/dbraw/zinc/62/05/47/780620547.db2.gz	DWRKGIMYRZBINS-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])c(F)c3)c12	ZINC001241186140	780690779	/nfs/dbraw/zinc/69/07/79/780690779.db2.gz	YBROZLHXSKHUTE-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1cc(C#N)nc(-c2c(F)ccc([O-])c2F)c1	ZINC001241289317	780759942	/nfs/dbraw/zinc/75/99/42/780759942.db2.gz	PFOPOGVXQNZCKB-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)c1	ZINC001241346110	780799546	/nfs/dbraw/zinc/79/95/46/780799546.db2.gz	WOIADEJDBGIISE-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3cccc(C(=O)[O-])c3)cc12	ZINC001241359065	780808481	/nfs/dbraw/zinc/80/84/81/780808481.db2.gz	SEDLLKUHTNSUEO-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#CCc1cc(-c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC001241358987	780808722	/nfs/dbraw/zinc/80/87/22/780808722.db2.gz	CORNOCJMUBLGOB-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
N#Cc1c(Br)cccc1NC1CC(C(=O)[O-])C1	ZINC000703478186	781016267	/nfs/dbraw/zinc/01/62/67/781016267.db2.gz	OVVAYMDTERNCDV-UHFFFAOYSA-N	-1	0	295.136	2.596	20	30		CFEDRM
N#Cc1cc(F)cc(-c2ccc(S(=O)(=O)[O-])cc2)c1	ZINC001241659015	781052469	/nfs/dbraw/zinc/05/24/69/781052469.db2.gz	TUUANDMLJQDVPZ-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1cc(-c2cncc(C(=O)[O-])c2)ncc1C(F)(F)F	ZINC001241800333	781131430	/nfs/dbraw/zinc/13/14/30/781131430.db2.gz	QEIISKODDDXBCP-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1cc(-c2cncc(C(=O)[O-])c2)nc(C(F)(F)F)c1	ZINC001241800541	781131488	/nfs/dbraw/zinc/13/14/88/781131488.db2.gz	ZEHPLRYMIBVAQQ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1c(F)cc(-c2cncc(C(=O)[O-])c2)cc1F	ZINC001241801441	781132347	/nfs/dbraw/zinc/13/23/47/781132347.db2.gz	KTCKEXSVMVFKNY-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
O=C([O-])c1cc(F)cc(-c2cccc(/C=N/O)c2)c1	ZINC001241834047	781148455	/nfs/dbraw/zinc/14/84/55/781148455.db2.gz	LXWKVFDOBYMTMU-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COc1ccc(-c2cc3cc[nH]c3nc2C#N)cc1C(=O)[O-]	ZINC001241875132	781161848	/nfs/dbraw/zinc/16/18/48/781161848.db2.gz	UJVQLRUTKLKZFN-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
N#Cc1ccnc(-c2cc(C(F)(F)F)ccc2[O-])n1	ZINC001242126777	781292273	/nfs/dbraw/zinc/29/22/73/781292273.db2.gz	QVZWKXQWNFUYCD-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1nnc(-c2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1C	ZINC001242205956	781326125	/nfs/dbraw/zinc/32/61/25/781326125.db2.gz	YNZTYSBPOHANEN-UHFFFAOYSA-N	-1	0	285.278	2.778	20	30		CFEDRM
CCOC(=O)c1cnc(-c2ccc(F)cc2[O-])c(C#N)c1	ZINC001242218104	781333249	/nfs/dbraw/zinc/33/32/49/781333249.db2.gz	RYFNJJVEJPFFIA-UHFFFAOYSA-N	-1	0	286.262	2.642	20	30		CFEDRM
Cc1nc(-c2cccc(CC(=O)[O-])c2)ccc1CC#N	ZINC001242263254	781348196	/nfs/dbraw/zinc/34/81/96/781348196.db2.gz	ZKJUWHVHRQGXJD-UHFFFAOYSA-N	-1	0	266.300	2.750	20	30		CFEDRM
C#Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC001242295585	781375664	/nfs/dbraw/zinc/37/56/64/781375664.db2.gz	COAOSYVOBHQXPH-UHFFFAOYSA-N	-1	0	258.298	2.582	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])nc2)c(C#N)c(C)c1C	ZINC001242334776	781404702	/nfs/dbraw/zinc/40/47/02/781404702.db2.gz	WHPTZIUJJHYEQV-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1ccc(C(=O)[O-])nc1	ZINC001242334653	781405363	/nfs/dbraw/zinc/40/53/63/781405363.db2.gz	RHMWXBUFJAQZAG-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1ccc2c(c1)nccc2-c1ccc(C(=O)[O-])nc1	ZINC001242335489	781406052	/nfs/dbraw/zinc/40/60/52/781406052.db2.gz	HADIIKUEDUYYIK-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1cc2nc(-c3cccc(C(=O)[O-])c3F)ccc2[nH]1	ZINC001242377232	781445547	/nfs/dbraw/zinc/44/55/47/781445547.db2.gz	VYHRJOXQQLXWEV-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C)c(C)cc1C#N	ZINC001242388274	781458109	/nfs/dbraw/zinc/45/81/09/781458109.db2.gz	WQQAOOMVKMZKDX-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2ncc(C#N)n2c1	ZINC001242391470	781460234	/nfs/dbraw/zinc/46/02/34/781460234.db2.gz	SBCHLBMTFIVWOL-UHFFFAOYSA-N	-1	0	293.282	2.580	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1cc(C)c2ccccc21	ZINC001118333240	781579200	/nfs/dbraw/zinc/57/92/00/781579200.db2.gz	IHRFWKAZZVFDJV-GFCCVEGCSA-N	-1	0	258.321	2.572	20	30		CFEDRM
N#Cc1ccccc1-c1nc[n-]c2nc(=S)sc1-2	ZINC001242715080	781715278	/nfs/dbraw/zinc/71/52/78/781715278.db2.gz	DKLZIWHJFFZBRC-UHFFFAOYSA-N	-1	0	270.342	2.914	20	30		CFEDRM
C=CC[C@H](NC(=O)[C@@H](C)CCc1ccc(F)cc1)C(=O)[O-]	ZINC001118913520	781732242	/nfs/dbraw/zinc/73/22/42/781732242.db2.gz	KBXQGAHSUQUDTH-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2ccccc2C(=O)[O-])n1	ZINC001242877652	781816200	/nfs/dbraw/zinc/81/62/00/781816200.db2.gz	PBWWNNFOGZZACP-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2ccccc2C(=O)[O-])nc(C)c1C#N	ZINC001242878942	781817292	/nfs/dbraw/zinc/81/72/92/781817292.db2.gz	NWPSJNWFVAEQGA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccnc2[nH]cc(C#N)c21	ZINC001242922396	781843104	/nfs/dbraw/zinc/84/31/04/781843104.db2.gz	JVIVNGAIKDLWGX-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
N#CC1(c2ccc(CN=c3[n-]c(C4CC4)no3)cc2)CC1	ZINC000594735860	349484919	/nfs/dbraw/zinc/48/49/19/349484919.db2.gz	WYJPXTRSBNWNCM-UHFFFAOYSA-N	-1	0	280.331	2.536	20	30		CFEDRM
CCCCn1c(SCC2(CC#N)CC2)n[nH]c1=O	ZINC000594880296	349492341	/nfs/dbraw/zinc/49/23/41/349492341.db2.gz	AVMMKTCMOKWFES-UHFFFAOYSA-N	-1	0	266.370	2.570	20	30		CFEDRM
CCC(CC)(CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000124653778	282122772	/nfs/dbraw/zinc/12/27/72/282122772.db2.gz	WUGMQWSDNAXALV-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
N#CC1(CC(=O)Nc2cc(C(=O)[O-])ccn2)CCCCC1	ZINC000595281762	349589874	/nfs/dbraw/zinc/58/98/74/349589874.db2.gz	MTUYTXWRAINIRD-UHFFFAOYSA-N	-1	0	287.319	2.582	20	30		CFEDRM
CC(C)c1nc(=NCc2ccc(C#N)c(F)c2)s[n-]1	ZINC000404554319	290028735	/nfs/dbraw/zinc/02/87/35/290028735.db2.gz	ABBICPUAZRCEGX-UHFFFAOYSA-N	-1	0	276.340	2.706	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(NCC2(C(=O)[O-])CCC2)n1	ZINC000595971257	349772909	/nfs/dbraw/zinc/77/29/09/349772909.db2.gz	IOLCMKAZBJAZSZ-UHFFFAOYSA-N	-1	0	287.363	2.918	20	30		CFEDRM
C[C@@H](CNc1cccc(C(F)F)c1C#N)C(=O)[O-]	ZINC000595968163	349773056	/nfs/dbraw/zinc/77/30/56/349773056.db2.gz	GVPMHFISZVWJKT-ZETCQYMHSA-N	-1	0	254.236	2.628	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NCC1(C(=O)[O-])CCC1	ZINC000595978502	349773838	/nfs/dbraw/zinc/77/38/38/349773838.db2.gz	WMKPKTBSHNNZSA-UHFFFAOYSA-N	-1	0	295.342	2.504	20	30		CFEDRM
CC(C)CC[C@@](C)(O)CN=c1[n-]c(C#N)c(Cl)s1	ZINC000596144967	349808062	/nfs/dbraw/zinc/80/80/62/349808062.db2.gz	JPTBHABWQBGEMH-GFCCVEGCSA-N	-1	0	287.816	2.689	20	30		CFEDRM
CC(C)c1nc(=NCCc2ccc(C#N)cc2)s[n-]1	ZINC000596320729	349862769	/nfs/dbraw/zinc/86/27/69/349862769.db2.gz	OTRPDLMXXWJWIV-UHFFFAOYSA-N	-1	0	272.377	2.610	20	30		CFEDRM
C=CCCSCCN=c1nc(C(C)C)[n-]s1	ZINC000596413228	349894601	/nfs/dbraw/zinc/89/46/01/349894601.db2.gz	GGBUIMWNEOAGIT-UHFFFAOYSA-N	-1	0	257.428	2.805	20	30		CFEDRM
C=CCCSCCN=c1[n-]c(C(F)(F)F)ns1	ZINC000596413120	349894658	/nfs/dbraw/zinc/89/46/58/349894658.db2.gz	FFLGEMVTZZZOGO-UHFFFAOYSA-N	-1	0	283.344	2.700	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000048478837	346474825	/nfs/dbraw/zinc/47/48/25/346474825.db2.gz	FSHGCLJIPGUTCK-UHFFFAOYSA-N	-1	0	285.340	2.554	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1ccc(C#N)c(Cl)c1	ZINC000061845392	346684757	/nfs/dbraw/zinc/68/47/57/346684757.db2.gz	CATKAWVEIZYXHG-LLVKDONJSA-N	-1	0	252.701	2.511	20	30		CFEDRM
CC(C)[C@@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000087506130	347496147	/nfs/dbraw/zinc/49/61/47/347496147.db2.gz	HJEBFOIFXYHJAC-SNVBAGLBSA-N	-1	0	266.728	2.980	20	30		CFEDRM
CC(C)[C@@H](CNc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000087506436	347496304	/nfs/dbraw/zinc/49/63/04/347496304.db2.gz	QKIUQPRFWLHGFQ-LLVKDONJSA-N	-1	0	266.728	2.980	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)co1	ZINC000122681763	347816533	/nfs/dbraw/zinc/81/65/33/347816533.db2.gz	RIVMDHUBJZSGQI-JTQLQIEISA-N	-1	0	294.314	2.614	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2c(F)cc(C#N)cc2F)CC1	ZINC000126934368	347838683	/nfs/dbraw/zinc/83/86/83/347838683.db2.gz	MQEZWCTVKHGIHM-UHFFFAOYSA-N	-1	0	280.274	2.528	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(C#N)cc1Br	ZINC000213318572	348159872	/nfs/dbraw/zinc/15/98/72/348159872.db2.gz	UMDXLZNNXNYMCC-JTQLQIEISA-N	-1	0	297.152	2.620	20	30		CFEDRM
C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000311586716	348413668	/nfs/dbraw/zinc/41/36/68/348413668.db2.gz	WNZPVNSWTXCRHF-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c(C)s1	ZINC000588767465	348795281	/nfs/dbraw/zinc/79/52/81/348795281.db2.gz	FJEUKOLHXSSXJR-UHFFFAOYSA-N	-1	0	286.360	2.511	20	30		CFEDRM
CCCc1nc(=N[C@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000589688648	348850276	/nfs/dbraw/zinc/85/02/76/348850276.db2.gz	ZBBPGERSRHFGSO-SNVBAGLBSA-N	-1	0	272.377	2.957	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@H]2CCc3cc(C#N)ccc32)o1	ZINC000590700177	348931102	/nfs/dbraw/zinc/93/11/02/348931102.db2.gz	AUXHTZAIWZLNSX-ZDUSSCGKSA-N	-1	0	268.320	2.586	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)nc3ccccc32)C1	ZINC000591561564	349030125	/nfs/dbraw/zinc/03/01/25/349030125.db2.gz	JTQJWSIHBKSAJI-VXGBXAGGSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#CCCCCNc1ncc(C(=O)[O-])cc1Cl	ZINC000592427229	349118537	/nfs/dbraw/zinc/11/85/37/349118537.db2.gz	OYZNFAWFYIUFSI-UHFFFAOYSA-N	-1	0	253.689	2.539	20	30		CFEDRM
CC[C@H](C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000593613697	349299168	/nfs/dbraw/zinc/29/91/68/349299168.db2.gz	OVPOUSQPIIZHJA-ZCFIWIBFSA-N	-1	0	256.664	2.673	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC1	ZINC000598132637	350206137	/nfs/dbraw/zinc/20/61/37/350206137.db2.gz	JSALIZCORWOLNC-ZETCQYMHSA-N	-1	0	282.702	2.701	20	30		CFEDRM
CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H](C)C#N	ZINC000598361328	350249243	/nfs/dbraw/zinc/24/92/43/350249243.db2.gz	GZQGLKHJLVSEFJ-ZETCQYMHSA-N	-1	0	270.691	2.559	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000598421576	350266660	/nfs/dbraw/zinc/26/66/60/350266660.db2.gz	JNBCVMLNCLHGLK-PHIMTYICSA-N	-1	0	288.303	2.624	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000598422070	350267662	/nfs/dbraw/zinc/26/76/62/350267662.db2.gz	UNSLGBMMEGEOSR-TXEJJXNPSA-N	-1	0	288.303	2.624	20	30		CFEDRM
CCCC[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000598663024	350305395	/nfs/dbraw/zinc/30/53/95/350305395.db2.gz	KHNJRTSIEMVYGE-JTQLQIEISA-N	-1	0	273.340	2.554	20	30		CFEDRM
CCCC[C@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)C	ZINC000598734701	350323444	/nfs/dbraw/zinc/32/34/44/350323444.db2.gz	KCQHDMARVXTDGS-LBPRGKRZSA-N	-1	0	288.395	2.982	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000600164935	350526981	/nfs/dbraw/zinc/52/69/81/350526981.db2.gz	KYACBDQMKRBIOC-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCC1	ZINC000600879733	350622031	/nfs/dbraw/zinc/62/20/31/350622031.db2.gz	ZYOUVMZVEWCWRZ-UONOGXRCSA-N	-1	0	298.342	2.897	20	30		CFEDRM
Cc1ccc(C[S@](=O)[C@H](CC(C)C)C(=O)[O-])cc1C#N	ZINC000600881568	350622933	/nfs/dbraw/zinc/62/29/33/350622933.db2.gz	WXBXIFONCHSISK-VLIAUNLRSA-N	-1	0	293.388	2.615	20	30		CFEDRM
C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000600798418	350614173	/nfs/dbraw/zinc/61/41/73/350614173.db2.gz	BMSFCMYGRPTKHW-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#Cc1c[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	ZINC000601637003	350751642	/nfs/dbraw/zinc/75/16/42/350751642.db2.gz	RWTIFFISSZJVMZ-HUUCEWRRSA-N	-1	0	294.358	2.616	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CSCC3)cc1Cl	ZINC000601947956	350815639	/nfs/dbraw/zinc/81/56/39/350815639.db2.gz	HCWNOKKJELXRQY-JTQLQIEISA-N	-1	0	291.763	2.667	20	30		CFEDRM
C[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1cccc(C#N)c1	ZINC000601991948	350824499	/nfs/dbraw/zinc/82/44/99/350824499.db2.gz	QLTCOWWVXOJENS-LLVKDONJSA-N	-1	0	288.347	2.626	20	30		CFEDRM
CC(C)c1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[n-]1	ZINC000601949999	350816992	/nfs/dbraw/zinc/81/69/92/350816992.db2.gz	RSCDYJVFPROBBO-UHFFFAOYSA-N	-1	0	261.712	2.960	20	30		CFEDRM
C[C@H](C#N)Cn1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000601935162	350808071	/nfs/dbraw/zinc/80/80/71/350808071.db2.gz	QFSMPZXMJSBFNY-MRVPVSSYSA-N	-1	0	279.702	2.575	20	30		CFEDRM
Cc1[n-]n([C@H](C)c2ccccc2)c(=O)c1CCC#N	ZINC000601941007	350811410	/nfs/dbraw/zinc/81/14/10/350811410.db2.gz	WMOUJRGRDRWXMN-OCCSQVGLSA-N	-1	0	255.321	2.886	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)ccc2F)c(=O)c1CCC#N	ZINC000601944454	350812514	/nfs/dbraw/zinc/81/25/14/350812514.db2.gz	HBPKIELHRQGWMH-LLVKDONJSA-N	-1	0	259.284	2.777	20	30		CFEDRM
N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000601995624	350825842	/nfs/dbraw/zinc/82/58/42/350825842.db2.gz	SGASWRQHDKLUDT-OLZOCXBDSA-N	-1	0	290.294	2.527	20	30		CFEDRM
CCc1ccccc1-n1[n-]c(C)c(CCC#N)c1=O	ZINC000603921609	351191804	/nfs/dbraw/zinc/19/18/04/351191804.db2.gz	ZDNNQQWTJLXXCQ-ZDUSSCGKSA-N	-1	0	255.321	2.891	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1CCC#N	ZINC000603923695	351191911	/nfs/dbraw/zinc/19/19/11/351191911.db2.gz	LUMVJGWFHBTNGH-ZDUSSCGKSA-N	-1	0	255.321	2.946	20	30		CFEDRM
C[C@H](N=c1[n-]nc(C(F)F)s1)c1cccc(C#N)c1	ZINC000610909181	351620805	/nfs/dbraw/zinc/62/08/05/351620805.db2.gz	QQPJSFGVCIALKQ-ZETCQYMHSA-N	-1	0	280.303	2.942	20	30		CFEDRM
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H](C)c1ccc(C#N)cc1	ZINC000610987187	351629007	/nfs/dbraw/zinc/62/90/07/351629007.db2.gz	VKOYATYBCXOFSL-NSHDSACASA-N	-1	0	298.346	2.519	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000612161331	351781692	/nfs/dbraw/zinc/78/16/92/351781692.db2.gz	SFQADGUJEZBLQS-AWEZNQCLSA-N	-1	0	288.376	2.523	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000573880085	334973987	/nfs/dbraw/zinc/97/39/87/334973987.db2.gz	ZJDCPMRTKWKOIZ-CMPLNLGQSA-N	-1	0	296.392	2.918	20	30		CFEDRM
CC(C)C[C@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000618448008	352779864	/nfs/dbraw/zinc/77/98/64/352779864.db2.gz	ZVXHYKLLFAVPAP-SECBINFHSA-N	-1	0	284.718	2.853	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cccc(C(=O)[O-])c1	ZINC000630229607	355030857	/nfs/dbraw/zinc/03/08/57/355030857.db2.gz	TVINFAGTQMGSKL-UHFFFAOYSA-N	-1	0	261.321	2.717	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000630180939	355023882	/nfs/dbraw/zinc/02/38/82/355023882.db2.gz	FBZOBOFYIWIFIB-JTQLQIEISA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630183465	355024389	/nfs/dbraw/zinc/02/43/89/355024389.db2.gz	XFVFNAHPZGDXOL-UKRRQHHQSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCCCCCNC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630204046	355027933	/nfs/dbraw/zinc/02/79/33/355027933.db2.gz	YZCJJRCKIYRLJI-UHFFFAOYSA-N	-1	0	265.309	2.762	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000630314782	355048489	/nfs/dbraw/zinc/04/84/89/355048489.db2.gz	VHZQWPAXJGWGSI-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(=O)[O-]	ZINC000630320056	355049967	/nfs/dbraw/zinc/04/99/67/355049967.db2.gz	OBLANBOPRZRAND-IHRRRGAJSA-N	-1	0	281.396	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC000630320130	355049998	/nfs/dbraw/zinc/04/99/98/355049998.db2.gz	PIHLIVIOSSUJRF-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)C(=O)[O-]	ZINC000630320484	355050955	/nfs/dbraw/zinc/05/09/55/355050955.db2.gz	XIPZDWDEIYUIPO-UTUOFQBUSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)C(=O)[O-]	ZINC000630320483	355050984	/nfs/dbraw/zinc/05/09/84/355050984.db2.gz	XIPZDWDEIYUIPO-TUAOUCFPSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000630321054	355050996	/nfs/dbraw/zinc/05/09/96/355050996.db2.gz	DZMVHHDTDHRUDI-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000630322907	355051486	/nfs/dbraw/zinc/05/14/86/355051486.db2.gz	XQOGHLXPNQMOFE-MFKMUULPSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000630325045	355052190	/nfs/dbraw/zinc/05/21/90/355052190.db2.gz	GQWXJBFPYWGDEX-CABCVRRESA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000630327027	355053140	/nfs/dbraw/zinc/05/31/40/355053140.db2.gz	VGECDEYETLZWCG-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(SC)cc1)C(=O)[O-]	ZINC000630543183	355107593	/nfs/dbraw/zinc/10/75/93/355107593.db2.gz	CACCRYVAOXFSPY-GFCCVEGCSA-N	-1	0	294.376	2.949	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000630544806	355107735	/nfs/dbraw/zinc/10/77/35/355107735.db2.gz	NNKCSOJICXXESP-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=CC[C@@H]1CCCN(c2ncc(C(=O)[O-])s2)C1	ZINC000630459738	355088561	/nfs/dbraw/zinc/08/85/61/355088561.db2.gz	HDOHXUBFPBNSQN-SECBINFHSA-N	-1	0	252.339	2.634	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N([C@@H](CC)C(=O)[O-])C1CC1	ZINC000630482328	355092911	/nfs/dbraw/zinc/09/29/11/355092911.db2.gz	CXKRGQZBEKBCJC-LBPRGKRZSA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC000630482861	355092991	/nfs/dbraw/zinc/09/29/91/355092991.db2.gz	JZRVERLNEMOXLE-LLVKDONJSA-N	-1	0	282.384	2.626	20	30		CFEDRM
N#Cc1ccc(SCC(=O)[N-]OC2CCCC2)cc1	ZINC000271815196	191344127	/nfs/dbraw/zinc/34/41/27/191344127.db2.gz	UZRLODOYISUERG-UHFFFAOYSA-N	-1	0	276.361	2.641	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000234286891	540317987	/nfs/dbraw/zinc/31/79/87/540317987.db2.gz	VEYWDIHFILCTHF-UHFFFAOYSA-N	-1	0	261.321	2.650	20	30		CFEDRM
N#Cc1cccc(CN[C@@H](C(=O)[O-])c2cccs2)c1	ZINC000426783044	239262053	/nfs/dbraw/zinc/26/20/53/239262053.db2.gz	ILKZAISZOYBPGU-CYBMUJFWSA-N	-1	0	272.329	2.535	20	30		CFEDRM
Cc1ccccc1[C@@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000116442285	376190391	/nfs/dbraw/zinc/19/03/91/376190391.db2.gz	OAPCXAYSKUTWDB-NSHDSACASA-N	-1	0	293.330	2.594	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)[nH]n2)n1	ZINC000041516011	372845556	/nfs/dbraw/zinc/84/55/56/372845556.db2.gz	PPYRDPQYDKFJMR-SECBINFHSA-N	-1	0	272.333	2.542	20	30		CFEDRM
COc1ccccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000041520425	372846267	/nfs/dbraw/zinc/84/62/67/372846267.db2.gz	FTWDZAPWYQTYTN-LLVKDONJSA-N	-1	0	272.329	2.950	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCC1	ZINC000042233714	372891682	/nfs/dbraw/zinc/89/16/82/372891682.db2.gz	HGZANDBQQUZGMY-UHFFFAOYSA-N	-1	0	273.741	2.785	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1cccc(F)c1	ZINC000042344403	372911620	/nfs/dbraw/zinc/91/16/20/372911620.db2.gz	HWHJYIRTBJZLLW-BQYQJAHWSA-N	-1	0	285.340	2.925	20	30		CFEDRM
CCCCC1CCC(C(=O)[N-]S(C)(=O)=O)CC1	ZINC000048479357	373189029	/nfs/dbraw/zinc/18/90/29/373189029.db2.gz	KAZXWJDFRIPAIH-UHFFFAOYSA-N	-1	0	261.387	2.899	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513685	373306638	/nfs/dbraw/zinc/30/66/38/373306638.db2.gz	QFFXQAOXLFMXMR-UHFFFAOYSA-N	-1	0	271.338	2.555	20	30		CFEDRM
C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000054334844	373520547	/nfs/dbraw/zinc/52/05/47/373520547.db2.gz	PVQCLMYMHPJDRG-SSDOTTSWSA-N	-1	0	272.226	2.710	20	30		CFEDRM
N#CC(=C([O-])c1ccc(Br)o1)c1ccccn1	ZINC000072590861	374268493	/nfs/dbraw/zinc/26/84/93/374268493.db2.gz	IWCGDJPEFUUVSL-MRVPVSSYSA-N	-1	0	291.104	2.927	20	30		CFEDRM
CCc1cc(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1	ZINC000079263057	374600908	/nfs/dbraw/zinc/60/09/08/374600908.db2.gz	OQSQFWUECDHPDE-UHFFFAOYSA-N	-1	0	291.288	2.936	20	30		CFEDRM
CC[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000103520144	375754725	/nfs/dbraw/zinc/75/47/25/375754725.db2.gz	WCOUKFNZGXVNPJ-LLVKDONJSA-N	-1	0	293.330	2.675	20	30		CFEDRM
CCc1noc(C)c1[N-]C(=O)c1c(F)cc(C#N)cc1F	ZINC000121075533	376757065	/nfs/dbraw/zinc/75/70/65/376757065.db2.gz	GEIKYTOTTTZDMM-UHFFFAOYSA-N	-1	0	291.257	2.948	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)co1	ZINC000122690815	376936134	/nfs/dbraw/zinc/93/61/34/376936134.db2.gz	MKGVCDPEXFKVMR-SECBINFHSA-N	-1	0	280.287	2.603	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000124585413	377067899	/nfs/dbraw/zinc/06/78/99/377067899.db2.gz	VRKFTFRADAGUPU-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)NC(CC)CC)s1	ZINC000330432275	378553127	/nfs/dbraw/zinc/55/31/27/378553127.db2.gz	MOYDISRRVWMYNC-UHFFFAOYSA-N	-1	0	274.415	2.587	20	30		CFEDRM
CCc1ccc(O)c(NC(=O)c2ccc(C#N)o2)c1	ZINC000334429426	379282661	/nfs/dbraw/zinc/28/26/61/379282661.db2.gz	YYEUGYZFCHJBOU-UHFFFAOYSA-N	-1	0	256.261	2.672	20	30		CFEDRM
N#Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1F	ZINC000334444395	379310965	/nfs/dbraw/zinc/31/09/65/379310965.db2.gz	GOIIPAVSBBMJRS-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
Cn1cncc1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1	ZINC001243069990	781969880	/nfs/dbraw/zinc/96/98/80/781969880.db2.gz	DHYXMBDQOHHCHT-YAXRCOADSA-N	-1	0	269.226	2.914	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC[C@@H]2C)[n-]1	ZINC000335605433	379591567	/nfs/dbraw/zinc/59/15/67/379591567.db2.gz	RFXKXXFNYBVWKA-AAEUAGOBSA-N	-1	0	274.368	2.522	20	30		CFEDRM
C=CCCCN(C)C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000173920983	379798845	/nfs/dbraw/zinc/79/88/45/379798845.db2.gz	REPLGCHLBGKJJQ-UHFFFAOYSA-N	-1	0	285.347	2.616	20	30		CFEDRM
C=CCn1c(-c2ccoc2)n[n-]c1=Nc1cnn(C(C)C)c1	ZINC000571938797	383741124	/nfs/dbraw/zinc/74/11/24/383741124.db2.gz	IMNQWAJJDIGRSX-UHFFFAOYSA-N	-1	0	298.350	2.667	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000335185830	379992540	/nfs/dbraw/zinc/99/25/40/379992540.db2.gz	RAWDEKLQCTYWRF-ZDUSSCGKSA-N	-1	0	297.358	2.759	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1csc2ccccc12	ZINC000335203781	380003238	/nfs/dbraw/zinc/00/32/38/380003238.db2.gz	ZMKRJTDHGMKFSY-VIFPVBQESA-N	-1	0	280.374	2.945	20	30		CFEDRM
CC(C)(C)c1nc(=NCc2ccc(C#N)c(F)c2)s[n-]1	ZINC000404555443	380902168	/nfs/dbraw/zinc/90/21/68/380902168.db2.gz	AWONEEREUMCSLE-UHFFFAOYSA-N	-1	0	290.367	2.880	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F	ZINC000183300094	381252168	/nfs/dbraw/zinc/25/21/68/381252168.db2.gz	VDRNADSAUAAHTI-SECBINFHSA-N	-1	0	287.347	2.849	20	30		CFEDRM
N#CC(=C([O-])c1coc2ccccc12)c1ccncn1	ZINC000354468302	381289489	/nfs/dbraw/zinc/28/94/89/381289489.db2.gz	LSRUHPQCQLBPPO-NSHDSACASA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC(CC)(CC)C(=O)[O-]	ZINC000342550239	381390776	/nfs/dbraw/zinc/39/07/76/381390776.db2.gz	VSJDVUQYTLWNGE-UHFFFAOYSA-N	-1	0	253.342	2.514	20	30		CFEDRM
CCC(CC)c1n[n-]c(=NC(=O)NCC(C)(C)C#N)s1	ZINC000348201461	381472050	/nfs/dbraw/zinc/47/20/50/381472050.db2.gz	WOBGGRXXDPYRKV-UHFFFAOYSA-N	-1	0	295.412	2.535	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1ccc(C#N)c(F)c1)C(=O)[O-]	ZINC000290515985	381460189	/nfs/dbraw/zinc/46/01/89/381460189.db2.gz	JXWRCFUYSSPZEI-UHFFFAOYSA-N	-1	0	292.310	2.917	20	30		CFEDRM
C=CCCCCNC(=O)c1c(F)ccc(O)c1F	ZINC000290522045	381463233	/nfs/dbraw/zinc/46/32/33/381463233.db2.gz	QCOYKYWKEMNIQG-UHFFFAOYSA-N	-1	0	255.264	2.757	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000184835087	381486338	/nfs/dbraw/zinc/48/63/38/381486338.db2.gz	OTFOJEGTURJRBC-VIFPVBQESA-N	-1	0	264.281	2.841	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1	ZINC000340317707	128021012	/nfs/dbraw/zinc/02/10/12/128021012.db2.gz	URXBHWRRVKMWOI-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
CCCOc1ccccc1[N-]S(=O)(=O)[C@@H](C#N)CC	ZINC000360211995	381771996	/nfs/dbraw/zinc/77/19/96/381771996.db2.gz	LEDZLOJJYVYIPS-LLVKDONJSA-N	-1	0	282.365	2.519	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C\c2ccncc2C#N)cc1)C(=O)[O-]	ZINC000349104418	381824799	/nfs/dbraw/zinc/82/47/99/381824799.db2.gz	DQQXEFAEVSQDLA-BXETVTBUSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000361792205	381863102	/nfs/dbraw/zinc/86/31/02/381863102.db2.gz	KPXJCKKGHKDRFB-AWEZNQCLSA-N	-1	0	290.326	2.768	20	30		CFEDRM
CC(C)n1cc(C#N)c([N-]S(=O)(=O)CCC(C)(C)C)n1	ZINC000357127214	382020571	/nfs/dbraw/zinc/02/05/71/382020571.db2.gz	IQLQYJCRZFKTFH-UHFFFAOYSA-N	-1	0	298.412	2.514	20	30		CFEDRM
CC[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)C1CCC(C)CC1	ZINC000357248356	382077091	/nfs/dbraw/zinc/07/70/91/382077091.db2.gz	VSUAFTSJKJHKOJ-KGPNIALWSA-N	-1	0	288.395	2.803	20	30		CFEDRM
CC(C)n1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cn1	ZINC000352161001	382201174	/nfs/dbraw/zinc/20/11/74/382201174.db2.gz	RXYJDPCPGRXYAC-HWKANZROSA-N	-1	0	282.303	2.599	20	30		CFEDRM
CCc1nc(=N[C@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419012184	382216114	/nfs/dbraw/zinc/21/61/14/382216114.db2.gz	DAJQZKXJTJRJSA-ZDUSSCGKSA-N	-1	0	284.388	2.884	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000293766684	382270810	/nfs/dbraw/zinc/27/08/10/382270810.db2.gz	MGZOQIJWJJHHHQ-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000293855596	382307097	/nfs/dbraw/zinc/30/70/97/382307097.db2.gz	XKTOIXVHNXLUCO-GFCCVEGCSA-N	-1	0	290.363	2.810	20	30		CFEDRM
Cc1ccc2nc(C([O-])=C(C#N)c3ccncn3)ccc2c1	ZINC000345991892	382326287	/nfs/dbraw/zinc/32/62/87/382326287.db2.gz	LDRLYFMJQSWQEL-ZDUSSCGKSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1ccc2snc(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000345997089	382327004	/nfs/dbraw/zinc/32/70/04/382327004.db2.gz	SNVOGURHPLKNHF-LLVKDONJSA-N	-1	0	294.339	2.885	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1[O-]	ZINC000188252151	382378260	/nfs/dbraw/zinc/37/82/60/382378260.db2.gz	ZTKBIDSPWBIUKU-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
CCC(CC)N(CCOC)C(=O)c1ccc(C#N)c(O)c1	ZINC000188331421	382393077	/nfs/dbraw/zinc/39/30/77/382393077.db2.gz	QQQHQLARFZYQSM-UHFFFAOYSA-N	-1	0	290.363	2.541	20	30		CFEDRM
CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188612578	382443362	/nfs/dbraw/zinc/44/33/62/382443362.db2.gz	NXDRVRKYLMUUJL-TZMCWYRMSA-N	-1	0	290.388	2.668	20	30		CFEDRM
C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(C#N)c(O)c1	ZINC000188786711	382476091	/nfs/dbraw/zinc/47/60/91/382476091.db2.gz	HKMLRKHNOGRMRJ-NSHDSACASA-N	-1	0	296.326	2.803	20	30		CFEDRM
CCCc1cnc(NC(=O)c2ccc(C#N)c([O-])c2)s1	ZINC000189156079	382556705	/nfs/dbraw/zinc/55/67/05/382556705.db2.gz	KWZRYCNPGJARPW-UHFFFAOYSA-N	-1	0	287.344	2.925	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC000190536286	382672446	/nfs/dbraw/zinc/67/24/46/382672446.db2.gz	HRDYUIXURHBTFD-ZDUSSCGKSA-N	-1	0	275.348	2.670	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)s1	ZINC000190918163	382684865	/nfs/dbraw/zinc/68/48/65/382684865.db2.gz	SZFKYOGTDLFBHN-JTQLQIEISA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC	ZINC000398211928	382635371	/nfs/dbraw/zinc/63/53/71/382635371.db2.gz	JYWBXOIYPNEATG-SDDRHHMPSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])[C@H](C)CC	ZINC000398205056	382635543	/nfs/dbraw/zinc/63/55/43/382635543.db2.gz	GXBGMAZKMUFQSS-VXGBXAGGSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000192861357	382713059	/nfs/dbraw/zinc/71/30/59/382713059.db2.gz	XZMQHMTXVVNCHA-WCQYABFASA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000193088534	382715527	/nfs/dbraw/zinc/71/55/27/382715527.db2.gz	MZJNXAINQVGGIF-SUMWQHHRSA-N	-1	0	289.375	2.747	20	30		CFEDRM
COc1cc(/C=C/c2ccc(C#N)cn2)cc([N+](=O)[O-])c1[O-]	ZINC000193447092	382719933	/nfs/dbraw/zinc/71/99/33/382719933.db2.gz	HVHUBGNGAUFARY-DUXPYHPUSA-N	-1	0	297.270	2.746	20	30		CFEDRM
C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C(=O)[O-]	ZINC000575180767	382730152	/nfs/dbraw/zinc/73/01/52/382730152.db2.gz	BJLBTLKOFQJNLY-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=CCn1c(SC[C@H](C)CC(C)C)n[n-]c1=N	ZINC000337234801	382782183	/nfs/dbraw/zinc/78/21/83/382782183.db2.gz	XIFXYFCHBKQJKJ-SNVBAGLBSA-N	-1	0	254.403	2.651	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000194464363	382744674	/nfs/dbraw/zinc/74/46/74/382744674.db2.gz	DVVNUYCBKHUSOO-AEGPPILISA-N	-1	0	287.359	2.716	20	30		CFEDRM
CC(=Cc1cccc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000576455168	382823145	/nfs/dbraw/zinc/82/31/45/382823145.db2.gz	YAYARDGCMVJCPL-RMKNXTFCSA-N	-1	0	269.279	2.650	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)s1	ZINC000337518654	382836225	/nfs/dbraw/zinc/83/62/25/382836225.db2.gz	AUSALWMNGUAYDV-NSHDSACASA-N	-1	0	286.360	2.657	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)CC1	ZINC000493819899	382904450	/nfs/dbraw/zinc/90/44/50/382904450.db2.gz	KGWGFQPOWKMEPO-CMDGGOBGSA-N	-1	0	297.420	2.678	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000236826019	382922219	/nfs/dbraw/zinc/92/22/19/382922219.db2.gz	CQULNVWOHWCYGE-UHFFFAOYSA-N	-1	0	267.369	2.762	20	30		CFEDRM
C=CCCCCCNC(=O)c1c[nH]nc1-c1ccccn1	ZINC000579141907	382987712	/nfs/dbraw/zinc/98/77/12/382987712.db2.gz	UNZMZVSOIBACTR-UHFFFAOYSA-N	-1	0	284.363	2.948	20	30		CFEDRM
C=CCCCNS(=O)(=O)c1c(F)cccc1Cl	ZINC000447928921	383030216	/nfs/dbraw/zinc/03/02/16/383030216.db2.gz	GGHMPUVFIAVDLE-UHFFFAOYSA-N	-1	0	277.748	2.724	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000579669888	383039804	/nfs/dbraw/zinc/03/98/04/383039804.db2.gz	YKWSRCKCCATWMH-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCCNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1	ZINC000280379984	194822554	/nfs/dbraw/zinc/82/25/54/194822554.db2.gz	DNGBBWGFZYECCM-INIZCTEOSA-N	-1	0	275.348	2.501	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000448998149	383126250	/nfs/dbraw/zinc/12/62/50/383126250.db2.gz	WAVZMUJUSJRYDL-DOMZBBRYSA-N	-1	0	289.375	2.888	20	30		CFEDRM
C=C(C)CONC(=O)Nc1ccc(NC(=O)OCC)cc1	ZINC000496473313	383105058	/nfs/dbraw/zinc/10/50/58/383105058.db2.gz	BFORYMWLGCAXML-UHFFFAOYSA-N	-1	0	293.323	2.884	20	30		CFEDRM
N#CC1CCC(CNC(=O)c2c([O-])cc(F)cc2F)CC1	ZINC000619674686	383147652	/nfs/dbraw/zinc/14/76/52/383147652.db2.gz	YAWWPHKANQCINC-UHFFFAOYSA-N	-1	0	294.301	2.730	20	30		CFEDRM
C=CCCCCCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000515500792	383160232	/nfs/dbraw/zinc/16/02/32/383160232.db2.gz	VPPXEMTVMHACGE-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000562702198	383162193	/nfs/dbraw/zinc/16/21/93/383162193.db2.gz	OZGUWMVEEYUOBU-KCJUWKMLSA-N	-1	0	285.702	2.714	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634887663	383391792	/nfs/dbraw/zinc/39/17/92/383391792.db2.gz	LNFIZHJIECMFCA-CQSZACIVSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CC1CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000634904827	383398268	/nfs/dbraw/zinc/39/82/68/383398268.db2.gz	YTMPALHILAXSPJ-INIZCTEOSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C1CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000634912187	383400870	/nfs/dbraw/zinc/40/08/70/383400870.db2.gz	VDGYPOKESPJLMN-OAHLLOKOSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(C)C(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634914102	383401761	/nfs/dbraw/zinc/40/17/61/383401761.db2.gz	LUNGIPJZPDZKLB-VIFPVBQESA-N	-1	0	299.729	2.682	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634944678	383416063	/nfs/dbraw/zinc/41/60/63/383416063.db2.gz	BZPBMSWTYVVCKF-GJZGRUSLSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634927568	383407468	/nfs/dbraw/zinc/40/74/68/383407468.db2.gz	SQSGOXIZDQTOIT-TUVASFSCSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@](C)(CC)CC(=O)[O-])C1	ZINC000634928549	383407792	/nfs/dbraw/zinc/40/77/92/383407792.db2.gz	PLHKVLMUULNSHZ-WFASDCNBSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@](C)(CC)CC(=O)[O-])C1	ZINC000634928547	383408421	/nfs/dbraw/zinc/40/84/21/383408421.db2.gz	PLHKVLMUULNSHZ-IUODEOHRSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634931564	383409574	/nfs/dbraw/zinc/40/95/74/383409574.db2.gz	FYLMHXWIOHTBKL-BETUJISGSA-N	-1	0	279.380	2.977	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)C[C@@H](C(=O)[O-])c2ccccc2)C1	ZINC000634939026	383412908	/nfs/dbraw/zinc/41/29/08/383412908.db2.gz	YUHIXNHJKDDELG-DZGCQCFKSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CC2(C(=O)[O-])CCCCC2)C1	ZINC000634938653	383412929	/nfs/dbraw/zinc/41/29/29/383412929.db2.gz	OMFKBJLVMGGGHP-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1	ZINC000634851767	383381561	/nfs/dbraw/zinc/38/15/61/383381561.db2.gz	XAPZIHPLNDTBAY-KRWDZBQOSA-N	-1	0	289.375	2.845	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000450536990	383450440	/nfs/dbraw/zinc/45/04/40/383450440.db2.gz	VZDOLVKMCMHOSM-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634947786	383417382	/nfs/dbraw/zinc/41/73/82/383417382.db2.gz	XPCGGCCUMDDFLZ-STQMWFEESA-N	-1	0	279.380	2.762	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SC[C@@H]1CCCCC1(F)F	ZINC000450792557	383492879	/nfs/dbraw/zinc/49/28/79/383492879.db2.gz	NWVQCCOAHKIFJX-VIFPVBQESA-N	-1	0	288.367	2.794	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncccc2C)n1	ZINC000429352907	383521195	/nfs/dbraw/zinc/52/11/95/383521195.db2.gz	XZIHELRHLDDXIK-JTQLQIEISA-N	-1	0	257.318	2.645	20	30		CFEDRM
CCCC[C@H](Nc1nc(C)c(C#N)cc1Cl)C(=O)[O-]	ZINC000261600034	383526855	/nfs/dbraw/zinc/52/68/55/383526855.db2.gz	PSTILONQJLUMLJ-NSHDSACASA-N	-1	0	281.743	2.970	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)NCCCCC(=O)[O-]	ZINC000635517657	383576746	/nfs/dbraw/zinc/57/67/46/383576746.db2.gz	HXEAJANGSVMMBN-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000635530060	383578645	/nfs/dbraw/zinc/57/86/45/383578645.db2.gz	OICDVFLRCSPFSW-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
CC(C)CN=c1[n-]nc(S[C@@H]2CC[C@H](C#N)C2)s1	ZINC000430137498	383590000	/nfs/dbraw/zinc/59/00/00/383590000.db2.gz	YUJBWXCLEGRYRW-VHSXEESVSA-N	-1	0	282.438	2.812	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(SC)ccc1C)C(=O)[O-]	ZINC000262855142	383641526	/nfs/dbraw/zinc/64/15/26/383641526.db2.gz	IFHJTWMACZPUQE-ZDUSSCGKSA-N	-1	0	293.388	2.866	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(Cl)ccc2C#N)C1	ZINC000263137757	383655142	/nfs/dbraw/zinc/65/51/42/383655142.db2.gz	GLSHPQDVBMUKND-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCn1c(CCCC)n[n-]c1=Nc1cnn(C(C)C)c1	ZINC000570696770	383627748	/nfs/dbraw/zinc/62/77/48/383627748.db2.gz	UGTAGQMVADLMHZ-UHFFFAOYSA-N	-1	0	288.399	2.750	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000263378245	383661173	/nfs/dbraw/zinc/66/11/73/383661173.db2.gz	BXSVAAFURIYOBZ-XVKPBYJWSA-N	-1	0	267.716	2.518	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000436473195	383820845	/nfs/dbraw/zinc/82/08/45/383820845.db2.gz	AVDDINLBJVOSBS-HYXAFXHYSA-N	-1	0	266.256	2.527	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(O)cc1	ZINC000436629590	383858073	/nfs/dbraw/zinc/85/80/73/383858073.db2.gz	VYOWVJVYSXHEFV-XVNBXDOJSA-N	-1	0	266.256	2.527	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)CC(C)(C)C#N)c1	ZINC000436652205	383863097	/nfs/dbraw/zinc/86/30/97/383863097.db2.gz	KYKAWIOBSXQEOU-UHFFFAOYSA-N	-1	0	274.320	2.863	20	30		CFEDRM
N#C[C@H](CO)Cc1cccc(-c2cccc(C(=O)[O-])c2)c1	ZINC000573449142	383932842	/nfs/dbraw/zinc/93/28/42/383932842.db2.gz	PYUQBAXHSNSBRM-CYBMUJFWSA-N	-1	0	281.311	2.726	20	30		CFEDRM
COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1O	ZINC000436731892	383885934	/nfs/dbraw/zinc/88/59/34/383885934.db2.gz	NYDVKEODXUQUCM-GORDUTHDSA-N	-1	0	296.282	2.536	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436944818	383898102	/nfs/dbraw/zinc/89/81/02/383898102.db2.gz	RMAXSGZTBKHUHZ-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
N#C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1F	ZINC000436986833	383900474	/nfs/dbraw/zinc/90/04/74/383900474.db2.gz	HGVZDQMFYILLNX-GFCCVEGCSA-N	-1	0	288.253	2.665	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000437520482	383905438	/nfs/dbraw/zinc/90/54/38/383905438.db2.gz	YKYBSWVIQPIOKO-SMDDNHRTSA-N	-1	0	295.766	2.757	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N=c1[n-]nc(SCC)s1	ZINC000439335050	384034121	/nfs/dbraw/zinc/03/41/21/384034121.db2.gz	YFGFEEJPJJFWDA-MRVPVSSYSA-N	-1	0	286.426	2.548	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1cc(C(F)(F)F)ccn1	ZINC000643778778	384763073	/nfs/dbraw/zinc/76/30/73/384763073.db2.gz	OWEIZXOKVPPUQW-MRVPVSSYSA-N	-1	0	281.193	2.578	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F	ZINC000644635769	384970987	/nfs/dbraw/zinc/97/09/87/384970987.db2.gz	YRMNOKOEFLOUPU-VIFPVBQESA-N	-1	0	287.347	2.849	20	30		CFEDRM
C#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(C)(C)C	ZINC000288583463	197119238	/nfs/dbraw/zinc/11/92/38/197119238.db2.gz	KXPQQGXQOIYOEX-NSHDSACASA-N	-1	0	283.730	2.962	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)OCC	ZINC000275155431	385947398	/nfs/dbraw/zinc/94/73/98/385947398.db2.gz	SVHVAYWLFAMLRL-ZDUSSCGKSA-N	-1	0	294.307	2.610	20	30		CFEDRM
CCOc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000681352702	542442507	/nfs/dbraw/zinc/44/25/07/542442507.db2.gz	CZZUWQGCZZVNCU-VIFPVBQESA-N	-1	0	297.270	2.705	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1	ZINC000355378155	130296879	/nfs/dbraw/zinc/29/68/79/130296879.db2.gz	OTPGFENJBBBBCW-WAYWQWQTSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])c1ccccc1	ZINC000263161406	131284573	/nfs/dbraw/zinc/28/45/73/131284573.db2.gz	OSTJTKDKTLRXBC-LBPRGKRZSA-N	-1	0	261.321	2.707	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000263177391	131285158	/nfs/dbraw/zinc/28/51/58/131285158.db2.gz	WRWANXTZWCMBOH-SMDDNHRTSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000263298118	131289090	/nfs/dbraw/zinc/28/90/90/131289090.db2.gz	TTXZGSDBMAIVGF-IUODEOHRSA-N	-1	0	287.359	2.799	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2coc(C3CCC3)n2)nc(C)n1	ZINC000683689849	542710274	/nfs/dbraw/zinc/71/02/74/542710274.db2.gz	QIPVEDSALQEARA-LBPRGKRZSA-N	-1	0	296.330	2.839	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1cnc2ccccc2n1	ZINC000683691390	542711240	/nfs/dbraw/zinc/71/12/40/542711240.db2.gz	FGWGKYGCUHFVLP-VIFPVBQESA-N	-1	0	280.312	2.576	20	30		CFEDRM
O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)F	ZINC000267867531	131926898	/nfs/dbraw/zinc/92/68/98/131926898.db2.gz	JCRIVEIDXIRYPT-UHFFFAOYSA-N	-1	0	295.182	2.735	20	30		CFEDRM
CC[C@H](CC(F)F)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000410542787	393629470	/nfs/dbraw/zinc/62/94/70/393629470.db2.gz	WAMUOPRJCWZCCQ-SECBINFHSA-N	-1	0	298.337	2.552	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000192915948	393636244	/nfs/dbraw/zinc/63/62/44/393636244.db2.gz	LTIJCMFPVUGKGV-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)o1	ZINC000193390452	393649721	/nfs/dbraw/zinc/64/97/21/393649721.db2.gz	VOGZRCYFBKODLL-LLVKDONJSA-N	-1	0	292.298	2.863	20	30		CFEDRM
CCc1cc(=O)[nH]c(SCc2ccc(C#N)c(F)c2)n1	ZINC000195071724	393729486	/nfs/dbraw/zinc/72/94/86/393729486.db2.gz	BEWKCVUISYEZEB-UHFFFAOYSA-N	-1	0	289.335	2.635	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cncnc2C(C)C)n1	ZINC000338191558	393776512	/nfs/dbraw/zinc/77/65/12/393776512.db2.gz	SVTUMORABXMSAU-JTQLQIEISA-N	-1	0	286.360	2.855	20	30		CFEDRM
C[C@@H](CC#N)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000093090628	393794933	/nfs/dbraw/zinc/79/49/33/393794933.db2.gz	IJTAPCCPVXRDRN-QMMMGPOBSA-N	-1	0	283.715	2.688	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C#N)cc1C(F)(F)F	ZINC000416421764	393917718	/nfs/dbraw/zinc/91/77/18/393917718.db2.gz	FLFCSYBRMJMZQP-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(C)(F)F	ZINC000416946237	393946647	/nfs/dbraw/zinc/94/66/47/393946647.db2.gz	APOKAQUUTFLNTC-VIFPVBQESA-N	-1	0	288.319	2.842	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1c([O-])cccc1F	ZINC000121634852	393957697	/nfs/dbraw/zinc/95/76/97/393957697.db2.gz	LCNRQCKGZUMQEB-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
N#Cc1nc(NC(=O)c2cccc(C3CCC3)c2)[n-]c1C#N	ZINC000281869115	394086429	/nfs/dbraw/zinc/08/64/29/394086429.db2.gz	CBKUYQMVKLSTSH-UHFFFAOYSA-N	-1	0	291.314	2.673	20	30		CFEDRM
CC(C)(C)CC[C@@H](NC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000449149078	394229541	/nfs/dbraw/zinc/22/95/41/394229541.db2.gz	VZBJZUQPGUONGI-CYBMUJFWSA-N	-1	0	288.347	2.568	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000685019785	542888551	/nfs/dbraw/zinc/88/85/51/542888551.db2.gz	XLBNCGBHQOQWBR-CHWSQXEVSA-N	-1	0	281.396	2.938	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nc1	ZINC000547458253	394868070	/nfs/dbraw/zinc/86/80/70/394868070.db2.gz	GILJGZRQHSPGGH-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1	ZINC000647373337	395317566	/nfs/dbraw/zinc/31/75/66/395317566.db2.gz	GJZYIGGTQCGULK-NSHDSACASA-N	-1	0	299.355	2.914	20	30		CFEDRM
COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1C#N	ZINC000358003081	155596113	/nfs/dbraw/zinc/59/61/13/155596113.db2.gz	MGXFDCLALVCFOV-HWKANZROSA-N	-1	0	286.312	2.892	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)[O-])cc1	ZINC000022241721	171382178	/nfs/dbraw/zinc/38/21/78/171382178.db2.gz	VLFMKZXVKDTPDB-UHFFFAOYSA-N	-1	0	297.270	2.777	20	30		CFEDRM
C=CCn1c([C@]2(C)CCCO2)n[n-]c1=Nc1ccccc1C	ZINC000651513525	413508042	/nfs/dbraw/zinc/50/80/42/413508042.db2.gz	TZDVJMLRGGTWRO-KRWDZBQOSA-N	-1	0	298.390	2.964	20	30		CFEDRM
CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000035411073	172182115	/nfs/dbraw/zinc/18/21/15/172182115.db2.gz	ZBQPIMGDQMFTGU-SECBINFHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000652077845	413817860	/nfs/dbraw/zinc/81/78/60/413817860.db2.gz	URSPXKYQKKTYQE-GFCCVEGCSA-N	-1	0	267.369	2.760	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)CCCCC#N)c1	ZINC000654985118	414049568	/nfs/dbraw/zinc/04/95/68/414049568.db2.gz	WYGVUMWHJUWTON-UHFFFAOYSA-N	-1	0	260.293	2.617	20	30		CFEDRM
N#Cc1ccc(NCCCC(=O)[O-])cc1C(F)(F)F	ZINC000037306321	173110430	/nfs/dbraw/zinc/11/04/30/173110430.db2.gz	BQTWHWSRKJAFGY-UHFFFAOYSA-N	-1	0	272.226	2.854	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000037453164	173219035	/nfs/dbraw/zinc/21/90/35/173219035.db2.gz	UWMPSHPCRUGMAJ-ZETCQYMHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F	ZINC000655660324	414348636	/nfs/dbraw/zinc/34/86/36/414348636.db2.gz	UUMCOVZXJNUBTM-SNVBAGLBSA-N	-1	0	297.298	2.687	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655575245	414330097	/nfs/dbraw/zinc/33/00/97/414330097.db2.gz	HAMDATGBHVUGOH-QNWHQSFQSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccccc1	ZINC000655588412	414332876	/nfs/dbraw/zinc/33/28/76/414332876.db2.gz	GVAOQAOXDRFMRL-CYBMUJFWSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C(=O)[O-]	ZINC000659166948	414459615	/nfs/dbraw/zinc/45/96/15/414459615.db2.gz	XKJCKFFELRDLLN-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000659166778	414460784	/nfs/dbraw/zinc/46/07/84/414460784.db2.gz	SNMIZMXUNOREFM-WCQYABFASA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	ZINC000659169504	414461350	/nfs/dbraw/zinc/46/13/50/414461350.db2.gz	DADKLGWUCHLGEC-ZDUSSCGKSA-N	-1	0	291.391	2.836	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-]	ZINC000659236069	414476184	/nfs/dbraw/zinc/47/61/84/414476184.db2.gz	FCPJUDYQISIASF-SWLSCSKDSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000659244139	414477632	/nfs/dbraw/zinc/47/76/32/414477632.db2.gz	KSORMWBDGOMTIE-UHFFFAOYSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1	ZINC000659406662	414517307	/nfs/dbraw/zinc/51/73/07/414517307.db2.gz	RMRVWWGBYUKORY-HSBZDZAISA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000659405091	414517332	/nfs/dbraw/zinc/51/73/32/414517332.db2.gz	ISMPPYZMKCSXFF-UHFFFAOYSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659423791	414519277	/nfs/dbraw/zinc/51/92/77/414519277.db2.gz	PJKJXUSEAVCCFS-QWHCGFSZSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000656583324	414611158	/nfs/dbraw/zinc/61/11/58/414611158.db2.gz	ZNLXJYVEZHOCTF-HUBLWGQQSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000656592804	414612761	/nfs/dbraw/zinc/61/27/61/414612761.db2.gz	FFWFMOPBUFGFGS-CQSZACIVSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C=CCN(CC=C)C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000040215596	174204943	/nfs/dbraw/zinc/20/49/43/174204943.db2.gz	UXMBQONMXKFKCH-UHFFFAOYSA-N	-1	0	265.353	2.612	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C1	ZINC000663126369	414653866	/nfs/dbraw/zinc/65/38/66/414653866.db2.gz	IIAMYIVGAUKSHI-RYUDHWBXSA-N	-1	0	267.369	2.548	20	30		CFEDRM
N#Cc1cnnc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1	ZINC001243155553	782022530	/nfs/dbraw/zinc/02/25/30/782022530.db2.gz	MCDRRMXYFAEQMV-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccncn1	ZINC000354468880	227006238	/nfs/dbraw/zinc/00/62/38/227006238.db2.gz	QFEXQBVTUYJJJO-SECBINFHSA-N	-1	0	296.311	2.683	20	30		CFEDRM
N#CC1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCCCC1	ZINC000040354649	260217550	/nfs/dbraw/zinc/21/75/50/260217550.db2.gz	ZMMNBVNZJHBKDD-UHFFFAOYSA-N	-1	0	298.264	2.766	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCC[C@@H]3OCC[C@@H]32)c1	ZINC000155082407	261097508	/nfs/dbraw/zinc/09/75/08/261097508.db2.gz	ZYQBKKSKSHMMEL-DGJOXTESSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CCN(CCC#N)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000156717566	261129761	/nfs/dbraw/zinc/12/97/61/261129761.db2.gz	NCRFWFBTRWGZPI-UHFFFAOYSA-N	-1	0	270.691	2.560	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000186822390	262325720	/nfs/dbraw/zinc/32/57/20/262325720.db2.gz	VGMAAZFTVLZDRV-UHFFFAOYSA-N	-1	0	255.264	2.709	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000316048537	262381060	/nfs/dbraw/zinc/38/10/60/262381060.db2.gz	LLEDDSSGDZEZMM-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
N#CCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000273094143	263012475	/nfs/dbraw/zinc/01/24/75/263012475.db2.gz	IEIZOJMBPPSPQZ-UHFFFAOYSA-N	-1	0	273.119	2.733	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000088476812	263054038	/nfs/dbraw/zinc/05/40/38/263054038.db2.gz	SRWVFAOKBXCAGN-QMMMGPOBSA-N	-1	0	276.720	2.523	20	30		CFEDRM
CCSCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000283767261	263084076	/nfs/dbraw/zinc/08/40/76/263084076.db2.gz	IUFHLRYPAPWQCD-UKTHLTGXSA-N	-1	0	268.338	2.863	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCC1	ZINC000287076667	263100889	/nfs/dbraw/zinc/10/08/89/263100889.db2.gz	VRGXYRQKBRZXHC-UHFFFAOYSA-N	-1	0	268.675	2.817	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncc(F)cc2C#N)c1	ZINC001243177188	782037743	/nfs/dbraw/zinc/03/77/43/782037743.db2.gz	KKACCXZLQVFRQI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@H](C)[C@H](C)CC)s[n-]1	ZINC000330871902	264059005	/nfs/dbraw/zinc/05/90/05/264059005.db2.gz	YBFYACLQPGRUFL-RKDXNWHRSA-N	-1	0	270.402	2.673	20	30		CFEDRM
CCCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](C)C2)s1	ZINC000331291690	264197132	/nfs/dbraw/zinc/19/71/32/264197132.db2.gz	PSTQVYAIOCFJKM-NXEZZACHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000190679912	264425312	/nfs/dbraw/zinc/42/53/12/264425312.db2.gz	XAMPDRAGKKIVIF-UKRRQHHQSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000356704011	266161931	/nfs/dbraw/zinc/16/19/31/266161931.db2.gz	SKBXYPTVLZVUHI-UHFFFAOYSA-N	-1	0	276.292	2.985	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)N[C@@H]2CCCC[C@H]2C)[n-]n1	ZINC000330017874	279719877	/nfs/dbraw/zinc/71/98/77/279719877.db2.gz	RWMURGVSIIQFBK-VXGBXAGGSA-N	-1	0	292.383	2.590	20	30		CFEDRM
CC(=Cc1ccccc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614939	280915562	/nfs/dbraw/zinc/91/55/62/280915562.db2.gz	WUNWWAFZYTZBSA-NTMALXAHSA-N	-1	0	251.289	2.511	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)nc1	ZINC000255527836	281100339	/nfs/dbraw/zinc/10/03/39/281100339.db2.gz	XCSPUKQVMVSTJQ-RJRFIUFISA-N	-1	0	267.244	2.737	20	30		CFEDRM
Cc1ccc(-c2nccc(C#N)c2C)cc1C(=O)[O-]	ZINC001243195081	782055269	/nfs/dbraw/zinc/05/52/69/782055269.db2.gz	HAWHKSRYOXMFRD-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1ccnc(-c2ccc(C)c(C(=O)[O-])c2)c1C#N	ZINC001243195149	782056123	/nfs/dbraw/zinc/05/61/23/782056123.db2.gz	IZXAYUSMVFAQBJ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2ccnc(CC#N)c2)cc1C(=O)[O-]	ZINC001243196023	782056455	/nfs/dbraw/zinc/05/64/55/782056455.db2.gz	VSAWDHOCARQKLH-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2C)ncc1C#N	ZINC001243202306	782062022	/nfs/dbraw/zinc/06/20/22/782062022.db2.gz	OGLUOVSZLJKBIS-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000163858344	297883292	/nfs/dbraw/zinc/88/32/92/297883292.db2.gz	PUEHSJBEQRIPLL-CYBMUJFWSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243203485	782063563	/nfs/dbraw/zinc/06/35/63/782063563.db2.gz	RHYOONWNTGFZMO-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)[n-]c1C#N	ZINC000245693586	303215871	/nfs/dbraw/zinc/21/58/71/303215871.db2.gz	UZQIJEHHKJTNRO-GRYCIOLGSA-N	-1	0	297.362	2.698	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2C)c(C#N)n1	ZINC001243204100	782064606	/nfs/dbraw/zinc/06/46/06/782064606.db2.gz	YHWIHTTWNIWQIK-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(C)c2)ncc1C#N	ZINC001243210566	782070139	/nfs/dbraw/zinc/07/01/39/782070139.db2.gz	JVMNGRJNWOUTEL-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(C)c2)nc1CC#N	ZINC001243214589	782075368	/nfs/dbraw/zinc/07/53/68/782075368.db2.gz	TYELPSSHGIRETD-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
C=CCC(C)(C)CN=c1[n-]nc(C2CCOCC2)s1	ZINC000338729361	327988839	/nfs/dbraw/zinc/98/88/39/327988839.db2.gz	NHPIWGQVIUCDNJ-UHFFFAOYSA-N	-1	0	281.425	2.868	20	30		CFEDRM
CC(C)O[C@@H]1C[C@@H](/N=C/c2ccc(O)c(O)c2O)C1(C)C	ZINC000274200830	328209555	/nfs/dbraw/zinc/20/95/55/328209555.db2.gz	MXBXJANOLJPTKJ-OXZYWCBISA-N	-1	0	293.363	2.814	20	30		CFEDRM
C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000575802125	322729885	/nfs/dbraw/zinc/72/98/85/322729885.db2.gz	DOHLNNZFIVROMG-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=CCCC1(C(=O)N=c2nc(CCC)[n-]s2)CC1	ZINC000342300784	328418275	/nfs/dbraw/zinc/41/82/75/328418275.db2.gz	NBXLKJDMSGSLOS-UHFFFAOYSA-N	-1	0	265.382	2.597	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OC(C)(C)C	ZINC000416955327	328435419	/nfs/dbraw/zinc/43/54/19/328435419.db2.gz	MGDPDUJVJRYKLU-NSHDSACASA-N	-1	0	296.392	2.908	20	30		CFEDRM
Cc1cc(F)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188220107	324010998	/nfs/dbraw/zinc/01/09/98/324010998.db2.gz	QWGJIQNULPEONB-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(C3CC3)o2)cc1	ZINC000343243949	328455344	/nfs/dbraw/zinc/45/53/44/328455344.db2.gz	BGDJHXOQRJFNBJ-UHFFFAOYSA-N	-1	0	271.320	2.546	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(F)c1	ZINC000581040684	325084588	/nfs/dbraw/zinc/08/45/88/325084588.db2.gz	PFTBCLCQQMCJFY-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000088475781	330376556	/nfs/dbraw/zinc/37/65/56/330376556.db2.gz	FECGPVGEKNAJFS-ZETCQYMHSA-N	-1	0	276.720	2.523	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000262852657	326960978	/nfs/dbraw/zinc/96/09/78/326960978.db2.gz	HXMAVQORSLLUKQ-NWDGAFQWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCCCCCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000263390906	327027504	/nfs/dbraw/zinc/02/75/04/327027504.db2.gz	YSOLUTODDPTQOZ-KBPBESRZSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCCCCCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000263391306	327028010	/nfs/dbraw/zinc/02/80/10/327028010.db2.gz	YSOLUTODDPTQOZ-ZIAGYGMSSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000576530190	327034399	/nfs/dbraw/zinc/03/43/99/327034399.db2.gz	QVJJWXUMVNQROR-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CCCC2)n1)c1ccncn1	ZINC000558893610	327129836	/nfs/dbraw/zinc/12/98/36/327129836.db2.gz	WZJACKGIQFEEAH-LLVKDONJSA-N	-1	0	282.303	2.612	20	30		CFEDRM
COC(=O)[C@H](C)C/N=C/c1c(O)ccc2ccccc21	ZINC000101799838	327222741	/nfs/dbraw/zinc/22/27/41/327222741.db2.gz	DVQRPIYTJMYEAV-JDAJCMJVSA-N	-1	0	271.316	2.773	20	30		CFEDRM
COC(=O)[C@@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000101799807	327222846	/nfs/dbraw/zinc/22/28/46/327222846.db2.gz	RSJAWRHOZUZDAJ-CKLBDGOISA-N	-1	0	290.146	2.927	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000566415159	327352121	/nfs/dbraw/zinc/35/21/21/327352121.db2.gz	XSQSQQFWPWNGEK-LBPRGKRZSA-N	-1	0	296.392	2.919	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000393732205	329089045	/nfs/dbraw/zinc/08/90/45/329089045.db2.gz	CRYVWGURGPPMNN-IUODEOHRSA-N	-1	0	282.384	2.770	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000583123339	329320259	/nfs/dbraw/zinc/32/02/59/329320259.db2.gz	YFJCWYBIPLYTFN-MRVPVSSYSA-N	-1	0	270.691	2.607	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1	ZINC000189478897	329381229	/nfs/dbraw/zinc/38/12/29/329381229.db2.gz	GSEFIBMESLRWIP-UHFFFAOYSA-N	-1	0	299.367	2.932	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC(CC)(CC)C(=O)[O-]	ZINC000398228807	329440379	/nfs/dbraw/zinc/44/03/79/329440379.db2.gz	RHSHIAUNDDGOLJ-NSHDSACASA-N	-1	0	270.373	2.674	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000262793539	330031709	/nfs/dbraw/zinc/03/17/09/330031709.db2.gz	CAONXXRGIVUFBX-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000262818606	330034050	/nfs/dbraw/zinc/03/40/50/330034050.db2.gz	DVLIDRQRBWEBGT-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1cccs1)C(=O)[O-]	ZINC000262849436	330035370	/nfs/dbraw/zinc/03/53/70/330035370.db2.gz	HRMFTOHRRNXCOC-SNVBAGLBSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sc(CCC)nc1C)C(=O)[O-]	ZINC000262945061	330037390	/nfs/dbraw/zinc/03/73/90/330037390.db2.gz	QEPZNVHOBFOGDU-SNVBAGLBSA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1scnc1C(C)(C)C)C(=O)[O-]	ZINC000262972472	330037843	/nfs/dbraw/zinc/03/78/43/330037843.db2.gz	STMAWXGFFVSQII-VIFPVBQESA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262982507	330037976	/nfs/dbraw/zinc/03/79/76/330037976.db2.gz	UNGVMRYNEGVQSY-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(CC(C)C)CCC1)C(=O)[O-]	ZINC000263003764	330038612	/nfs/dbraw/zinc/03/86/12/330038612.db2.gz	WOVYRGVUMDPNBT-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)CC1	ZINC000263171428	330047151	/nfs/dbraw/zinc/04/71/51/330047151.db2.gz	GADISPQFOGNHCC-UHFFFAOYSA-N	-1	0	273.332	2.731	20	30		CFEDRM
C=C[C@@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1	ZINC000263261094	330051110	/nfs/dbraw/zinc/05/11/10/330051110.db2.gz	MKPZCGXWEOHPGC-STQMWFEESA-N	-1	0	287.359	2.810	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263507119	330058331	/nfs/dbraw/zinc/05/83/31/330058331.db2.gz	XKOLVWIYCIDKFB-AWEZNQCLSA-N	-1	0	288.347	2.635	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000263514564	330058570	/nfs/dbraw/zinc/05/85/70/330058570.db2.gz	DIQCEEMIFXQBJW-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000263537101	330059197	/nfs/dbraw/zinc/05/91/97/330059197.db2.gz	PBRAXHJAEJKDFA-RYUDHWBXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1occc1C(C)C)C(=O)[O-]	ZINC000263545990	330059469	/nfs/dbraw/zinc/05/94/69/330059469.db2.gz	UDIUHNWOOJZCCU-NSHDSACASA-N	-1	0	265.309	2.552	20	30		CFEDRM
CN=c1[n-]nc(SCC#Cc2ccccc2Cl)s1	ZINC000533331088	330357501	/nfs/dbraw/zinc/35/75/01/330357501.db2.gz	WGDYUPYWWHVZPZ-UHFFFAOYSA-N	-1	0	295.820	2.799	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(OC)ccc1OC(C)C	ZINC000120192733	330386220	/nfs/dbraw/zinc/38/62/20/330386220.db2.gz	BUEVKLYGXRONFF-UHFFFAOYSA-N	-1	0	299.392	2.800	20	30		CFEDRM
C=CCCCNC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000447997974	330882583	/nfs/dbraw/zinc/88/25/83/330882583.db2.gz	DPQDDLHJEDAFCG-UHFFFAOYSA-N	-1	0	282.347	2.653	20	30		CFEDRM
C=CCC1(CN=c2nc(CCOC)[n-]s2)CCCC1	ZINC000450849561	331002773	/nfs/dbraw/zinc/00/27/73/331002773.db2.gz	XCQCHTZUQYQFPX-UHFFFAOYSA-N	-1	0	281.425	2.697	20	30		CFEDRM
C=CCC[C@H](CO)N=c1[n-]c(-c2cccc(Cl)c2)no1	ZINC000450897488	331005668	/nfs/dbraw/zinc/00/56/68/331005668.db2.gz	QDIRROPVLMBWLF-GFCCVEGCSA-N	-1	0	293.754	2.551	20	30		CFEDRM
Cn1cncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000453780939	331138271	/nfs/dbraw/zinc/13/82/71/331138271.db2.gz	QHFMIBCTGQIPCR-VIFPVBQESA-N	-1	0	288.376	2.664	20	30		CFEDRM
CC(C)(CC#N)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000457993371	331239687	/nfs/dbraw/zinc/23/96/87/331239687.db2.gz	MNJNUFBWIMZUFE-UHFFFAOYSA-N	-1	0	284.718	2.854	20	30		CFEDRM
C=CCn1c(-c2ccccc2)n[n-]c1=NC(C)(C)C	ZINC000463107821	331340461	/nfs/dbraw/zinc/34/04/61/331340461.db2.gz	NMOCTMUWVHKJOY-UHFFFAOYSA-N	-1	0	256.353	2.763	20	30		CFEDRM
C=CC[C@H](C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000488889490	332032340	/nfs/dbraw/zinc/03/23/40/332032340.db2.gz	BHGFHNLPYIAGNO-HNNXBMFYSA-N	-1	0	281.359	2.814	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F	ZINC000489692577	332065148	/nfs/dbraw/zinc/06/51/48/332065148.db2.gz	UKZDSPATKHKSOZ-NSHDSACASA-N	-1	0	299.358	2.993	20	30		CFEDRM
C#C[C@H](CC)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000491317133	332189166	/nfs/dbraw/zinc/18/91/66/332189166.db2.gz	ZQRLVAYHJSPXSS-FBWGLTFQSA-N	-1	0	266.684	2.785	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000491734889	332315467	/nfs/dbraw/zinc/31/54/67/332315467.db2.gz	TWTAPICJOOWEFF-SECBINFHSA-N	-1	0	269.703	2.716	20	30		CFEDRM
C=CCSCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000231951529	333332251	/nfs/dbraw/zinc/33/22/51/333332251.db2.gz	GNNDYXKQYDSIPT-UHFFFAOYSA-N	-1	0	282.321	2.624	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000538576806	333607057	/nfs/dbraw/zinc/60/70/57/333607057.db2.gz	BBQBIBOPHVKMCU-ZDUSSCGKSA-N	-1	0	297.395	2.509	20	30		CFEDRM
O=C(Nc1nnc2ccccn21)c1ccc([O-])c(Cl)c1	ZINC000073921663	333980428	/nfs/dbraw/zinc/98/04/28/333980428.db2.gz	XIVYDCYIXUIHPB-UHFFFAOYSA-N	-1	0	288.694	2.725	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000553533219	334390384	/nfs/dbraw/zinc/39/03/84/334390384.db2.gz	BPICWRFCKSOVBZ-SECBINFHSA-N	-1	0	280.397	2.704	20	30		CFEDRM
C=CCCCCCNC(=O)N=c1nc([C@H](C)OC)[n-]s1	ZINC000566419893	334647374	/nfs/dbraw/zinc/64/73/74/334647374.db2.gz	CADROUJHKHIRFD-JTQLQIEISA-N	-1	0	298.412	2.535	20	30		CFEDRM
CCN=c1[n-]nc(S[C@@H](C#N)c2ccccc2)s1	ZINC000568663830	334835379	/nfs/dbraw/zinc/83/53/79/334835379.db2.gz	DFONSRFPQKLBMH-JTQLQIEISA-N	-1	0	276.390	2.749	20	30		CFEDRM
C=CCN(CC=C)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1	ZINC000577499921	335360181	/nfs/dbraw/zinc/36/01/81/335360181.db2.gz	LIUXAPXJIBYZRW-OAHLLOKOSA-N	-1	0	291.347	2.504	20	30		CFEDRM
C=CCC[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000577696103	335389763	/nfs/dbraw/zinc/38/97/63/335389763.db2.gz	WHPSYBIHJJNQBH-WSNITJDQSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCCCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1	ZINC000380808707	336030551	/nfs/dbraw/zinc/03/05/51/336030551.db2.gz	MIVMBADERYAONB-UHFFFAOYSA-N	-1	0	282.384	2.772	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000581484069	336087057	/nfs/dbraw/zinc/08/70/57/336087057.db2.gz	SDGKHXJSWYQUKN-UFBFGSQYSA-N	-1	0	299.729	2.506	20	30		CFEDRM
C=CCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000385375200	336145095	/nfs/dbraw/zinc/14/50/95/336145095.db2.gz	DVIAXFHDNJHGSH-UHFFFAOYSA-N	-1	0	250.254	2.671	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(Cl)cc(C(=O)[O-])c2)c1	ZINC001243323463	782137557	/nfs/dbraw/zinc/13/75/57/782137557.db2.gz	WCZFAVXMPGUELW-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#Cc1cnc(-c2ccc([O-])c(F)c2F)c(F)c1	ZINC001243340991	782146132	/nfs/dbraw/zinc/14/61/32/782146132.db2.gz	AMJWAEBPWFQXKQ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000262069709	534347727	/nfs/dbraw/zinc/34/77/27/534347727.db2.gz	FFOKHTKUAGMFRS-QWRGUYRKSA-N	-1	0	293.388	2.946	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NCCCCCC(=O)[O-])c2c1	ZINC000416425538	534369021	/nfs/dbraw/zinc/36/90/21/534369021.db2.gz	IPXAGSVBTMNLEH-UHFFFAOYSA-N	-1	0	297.358	2.894	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000262690967	534516838	/nfs/dbraw/zinc/51/68/38/534516838.db2.gz	DVVNUYCBKHUSOO-CFVMTHIKSA-N	-1	0	287.359	2.716	20	30		CFEDRM
CCC(CC)(CNc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000165057466	521444505	/nfs/dbraw/zinc/44/45/05/521444505.db2.gz	UZHOUHBDHXKHBS-UHFFFAOYSA-N	-1	0	287.363	2.745	20	30		CFEDRM
CCC(CC)(CNc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000311989398	521445258	/nfs/dbraw/zinc/44/52/58/521445258.db2.gz	PPQOEOUBVLWNMD-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCCCCCC(=O)[O-]	ZINC000269218916	534564861	/nfs/dbraw/zinc/56/48/61/534564861.db2.gz	ZLTXPVWDTHADOM-UHFFFAOYSA-N	-1	0	253.342	2.516	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000237964013	534567910	/nfs/dbraw/zinc/56/79/10/534567910.db2.gz	NKNQWASHHYNOQB-UHFFFAOYSA-N	-1	0	273.332	2.769	20	30		CFEDRM
CC[C@@H](C(=O)N=c1[n-]n(C(C)C)cc1C#N)c1ccccc1	ZINC000361913406	521827697	/nfs/dbraw/zinc/82/76/97/521827697.db2.gz	JAWWFHTVKQEIHM-OAHLLOKOSA-N	-1	0	296.374	2.890	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1	ZINC000263444464	534672526	/nfs/dbraw/zinc/67/25/26/534672526.db2.gz	NBFRGESTCYDYOH-DYVFJYSZSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000061834760	524391822	/nfs/dbraw/zinc/39/18/22/524391822.db2.gz	WIBLSJOGLUKSDR-MRVPVSSYSA-N	-1	0	292.360	2.548	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(C#N)cc1Br	ZINC000169184249	524395817	/nfs/dbraw/zinc/39/58/17/524395817.db2.gz	ZBBDTAANSAVTBE-ZETCQYMHSA-N	-1	0	283.125	2.596	20	30		CFEDRM
Cc1c(Cl)cnc(N[C@H](CC(C)C)C(=O)[O-])c1C#N	ZINC000263516388	525787771	/nfs/dbraw/zinc/78/77/71/525787771.db2.gz	OWLXXYZZASODJE-LLVKDONJSA-N	-1	0	281.743	2.826	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)c(C#N)c1	ZINC000163842231	526252912	/nfs/dbraw/zinc/25/29/12/526252912.db2.gz	DWWQLMDWOMUNCV-SSDOTTSWSA-N	-1	0	272.226	2.852	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ncc(C(=O)[O-])s2)s1	ZINC000255639189	526586168	/nfs/dbraw/zinc/58/61/68/526586168.db2.gz	FJGWBRMQLNHWFI-ARJAWSKDSA-N	-1	0	262.315	2.945	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000062785064	526633827	/nfs/dbraw/zinc/63/38/27/526633827.db2.gz	CYYZIABXAMBKQV-JTQLQIEISA-N	-1	0	278.739	2.903	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])cc1Cl	ZINC000061845331	526644486	/nfs/dbraw/zinc/64/44/86/526644486.db2.gz	FTETWMMGZDZPAV-SNVBAGLBSA-N	-1	0	264.712	2.655	20	30		CFEDRM
CC(C)(C)c1cc(C#N)c(NC(=O)CCC(=O)[O-])s1	ZINC000414083733	526750155	/nfs/dbraw/zinc/75/01/55/526750155.db2.gz	DSLDRIGKSABSBQ-UHFFFAOYSA-N	-1	0	280.349	2.721	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(CCC)o1	ZINC000347900165	526936092	/nfs/dbraw/zinc/93/60/92/526936092.db2.gz	STPYTHSIQCAXAI-UHFFFAOYSA-N	-1	0	273.336	2.621	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)C1CCCC1	ZINC000046708549	527159678	/nfs/dbraw/zinc/15/96/78/527159678.db2.gz	IIJSPNFULXFZHE-UHFFFAOYSA-N	-1	0	253.323	2.522	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1cc(C#N)ccn1)C(=O)[O-]	ZINC000416444615	527675961	/nfs/dbraw/zinc/67/59/61/527675961.db2.gz	YUPWSGAWEYTASV-LLVKDONJSA-N	-1	0	261.325	2.645	20	30		CFEDRM
CC(C)CN(C(=O)N=c1cn[n-]s1)C1CCCC1	ZINC000330205781	527908091	/nfs/dbraw/zinc/90/80/91/527908091.db2.gz	CRMHVDOMZGGJPO-UHFFFAOYSA-N	-1	0	268.386	2.984	20	30		CFEDRM
CCC[C@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544461	528379187	/nfs/dbraw/zinc/37/91/87/528379187.db2.gz	WDMKVXHXPSTWNL-JSGCOSHPSA-N	-1	0	288.395	2.912	20	30		CFEDRM
CCCCc1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000421809466	529035760	/nfs/dbraw/zinc/03/57/60/529035760.db2.gz	BERJIEVLJBVLAR-UHFFFAOYSA-N	-1	0	290.367	2.925	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl	ZINC000334896141	529270364	/nfs/dbraw/zinc/27/03/64/529270364.db2.gz	JRTIHMVAGYGRMZ-LURJTMIESA-N	-1	0	294.710	2.662	20	30		CFEDRM
CC[C@@H](CC1CCCCC1)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000508768333	535738159	/nfs/dbraw/zinc/73/81/59/535738159.db2.gz	DPJFZDSXQCTUIJ-ZDUSSCGKSA-N	-1	0	288.395	2.947	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@]23CCO[C@@H]2CCCC3)c1	ZINC000935107542	649876343	/nfs/dbraw/zinc/87/63/43/649876343.db2.gz	IFNLRTBISFMFNO-ZBFHGGJFSA-N	-1	0	286.331	2.552	20	30		CFEDRM
Cc1nc(C)c(C=NNc2ccccc2C(=O)[O-])s1	ZINC000736430111	574052074	/nfs/dbraw/zinc/05/20/74/574052074.db2.gz	NRSUWEHYJZIDES-UHFFFAOYSA-N	-1	0	275.333	2.904	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1cccc(NC(=O)[O-])c1	ZINC000736438062	574052733	/nfs/dbraw/zinc/05/27/33/574052733.db2.gz	RGLYJOUVPIHUEH-UHFFFAOYSA-N	-1	0	289.335	2.788	20	30		CFEDRM
N#CCCCCNC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000740306827	574055301	/nfs/dbraw/zinc/05/53/01/574055301.db2.gz	LKDQRGWJLVPTEX-UHFFFAOYSA-N	-1	0	294.286	2.731	20	30		CFEDRM
C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1cccc(C#N)c1	ZINC000736683119	574064982	/nfs/dbraw/zinc/06/49/82/574064982.db2.gz	IBNSSQNAVRBZSV-LLVKDONJSA-N	-1	0	290.319	2.552	20	30		CFEDRM
C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC000736695397	574067618	/nfs/dbraw/zinc/06/76/18/574067618.db2.gz	BSVMAFLNPITILJ-SNVBAGLBSA-N	-1	0	296.282	2.569	20	30		CFEDRM
COCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000754254864	574084342	/nfs/dbraw/zinc/08/43/42/574084342.db2.gz	QRSIXQKNJGEGEO-UHFFFAOYSA-N	-1	0	282.727	2.863	20	30		CFEDRM
CCC/C(C)=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736960051	574087908	/nfs/dbraw/zinc/08/79/08/574087908.db2.gz	UQBBJXFEOVFYKN-KLQCNHIUSA-N	-1	0	287.315	2.974	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000730589432	574089361	/nfs/dbraw/zinc/08/93/61/574089361.db2.gz	IKNGCBONBOLNHM-ONEGZZNKSA-N	-1	0	277.301	2.947	20	30		CFEDRM
N#Cc1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000751131391	574094167	/nfs/dbraw/zinc/09/41/67/574094167.db2.gz	UWTDIJNPFWROSA-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
C=CCCO[C@H](C)c1nc(C2(NC(=O)[O-])CCCC2)no1	ZINC000738492259	574094641	/nfs/dbraw/zinc/09/46/41/574094641.db2.gz	CXAILKDOWVIABO-SNVBAGLBSA-N	-1	0	295.339	2.760	20	30		CFEDRM
C=CCCc1nc([C@H](CC(C)C)NC(=O)[O-])no1	ZINC000738493393	574095645	/nfs/dbraw/zinc/09/56/45/574095645.db2.gz	MWNXEAIKWUJOIA-VIFPVBQESA-N	-1	0	253.302	2.543	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H]1CCC[C@@H]1NC(=O)[O-]	ZINC000738494227	574095794	/nfs/dbraw/zinc/09/57/94/574095794.db2.gz	XRPQEOGEMYNDIQ-STQMWFEESA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccoc1C	ZINC000738502397	574099678	/nfs/dbraw/zinc/09/96/78/574099678.db2.gz	CFYABMNRCWSSNG-SECBINFHSA-N	-1	0	293.348	2.598	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)c1ccc(CC(=O)[O-])cc1	ZINC000731321625	574116609	/nfs/dbraw/zinc/11/66/09/574116609.db2.gz	MGJHNVMVWNRNBT-UHFFFAOYSA-N	-1	0	287.294	2.684	20	30		CFEDRM
CCOc1ccccc1C=NOCc1cc(C(=O)[O-])co1	ZINC000737211031	574118570	/nfs/dbraw/zinc/11/85/70/574118570.db2.gz	LTUGEOOASAYWKL-UHFFFAOYSA-N	-1	0	289.287	2.927	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1	ZINC000731644940	574125727	/nfs/dbraw/zinc/12/57/27/574125727.db2.gz	CVVUIZNOBDRNBZ-MRVPVSSYSA-N	-1	0	296.170	2.949	20	30		CFEDRM
C[C@H](CC#N)OC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738891545	574149959	/nfs/dbraw/zinc/14/99/59/574149959.db2.gz	DHMRKEWYHDXETI-YPMHNXCESA-N	-1	0	290.319	2.621	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc(F)c2O)c1	ZINC000755465607	574163774	/nfs/dbraw/zinc/16/37/74/574163774.db2.gz	NUBPKAJEGMCPSZ-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
Cc1[nH]cnc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000755466653	574163880	/nfs/dbraw/zinc/16/38/80/574163880.db2.gz	JKEDFRUCDRZEKW-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2o1	ZINC000732708030	574166328	/nfs/dbraw/zinc/16/63/28/574166328.db2.gz	JSKUSKYTOUYEGH-SZZPACECSA-N	-1	0	296.326	2.987	20	30		CFEDRM
CC(C)n1cc(C=NNc2cccc(C(=O)[O-])c2)cn1	ZINC000732711103	574166930	/nfs/dbraw/zinc/16/69/30/574166930.db2.gz	YZOIUTKIQZMNBO-UHFFFAOYSA-N	-1	0	272.308	2.608	20	30		CFEDRM
CCCC1CCC(CN=Nc2nnc(C)c(=O)[n-]2)CC1	ZINC000755525230	574167755	/nfs/dbraw/zinc/16/77/55/574167755.db2.gz	SOONSYODPINZDG-UHFFFAOYSA-N	-1	0	277.372	2.890	20	30		CFEDRM
C=CCn1c2ccccc2nc1SCCNC(=O)[O-]	ZINC000738502871	574171373	/nfs/dbraw/zinc/17/13/73/574171373.db2.gz	HWGXHKICVIBANZ-UHFFFAOYSA-N	-1	0	277.349	2.582	20	30		CFEDRM
O=C([O-])c1csc(C=Nn2cnnc2-c2ccccc2)c1	ZINC000755616303	574172340	/nfs/dbraw/zinc/17/23/40/574172340.db2.gz	BWXJARZULIUGGO-UHFFFAOYSA-N	-1	0	298.327	2.587	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2cnc3ccccc3n2)CC1	ZINC000738531984	574172673	/nfs/dbraw/zinc/17/26/73/574172673.db2.gz	SCHMIWBDNLRUCT-UHFFFAOYSA-N	-1	0	284.319	2.673	20	30		CFEDRM
CC[C@@H](C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000755690862	574178066	/nfs/dbraw/zinc/17/80/66/574178066.db2.gz	UOJYQJFUBWBMEX-SNVBAGLBSA-N	-1	0	293.330	2.919	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNCCCc2ccccc2)cc1[O-]	ZINC000729146243	574179211	/nfs/dbraw/zinc/17/92/11/574179211.db2.gz	PXJRWHZYMYUOET-UHFFFAOYSA-N	-1	0	299.330	2.857	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cc(F)cc(F)c1[O-]	ZINC000755824731	574190396	/nfs/dbraw/zinc/19/03/96/574190396.db2.gz	RWEUCTSDMYOBDP-GFCCVEGCSA-N	-1	0	271.263	2.938	20	30		CFEDRM
C[C@@H](SCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC000739055445	574195445	/nfs/dbraw/zinc/19/54/45/574195445.db2.gz	MZSOQUFLTRQVEH-MRVPVSSYSA-N	-1	0	285.752	2.949	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2ccc(C(=O)[O-])cc2)c1	ZINC000755901403	574195685	/nfs/dbraw/zinc/19/56/85/574195685.db2.gz	VTMXFUOGWKZNFQ-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
N#CCOc1ccc(COc2cccc(C(=O)[O-])c2)cc1	ZINC000739088015	574197174	/nfs/dbraw/zinc/19/71/74/574197174.db2.gz	OTDUERMTRHBIMB-UHFFFAOYSA-N	-1	0	283.283	2.866	20	30		CFEDRM
N#Cc1ccc(CNC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739118154	574199245	/nfs/dbraw/zinc/19/92/45/574199245.db2.gz	NMTNOKGSJDPJPZ-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1ccc([C@@H](Nc2ccc(F)cc2)C(=O)[O-])cc1	ZINC000739111960	574199277	/nfs/dbraw/zinc/19/92/77/574199277.db2.gz	WSHZMYQOIGCHHF-CQSZACIVSA-N	-1	0	270.263	2.935	20	30		CFEDRM
N#Cc1ccc([C@H](Sc2cc(C#N)ccn2)C(=O)[O-])cc1	ZINC000739117681	574199306	/nfs/dbraw/zinc/19/93/06/574199306.db2.gz	MMMQYCCYUFGPFJ-AWEZNQCLSA-N	-1	0	295.323	2.743	20	30		CFEDRM
N#Cc1ccccc1/C=C/C(=O)OCc1cc(C(=O)[O-])co1	ZINC000739140110	574199502	/nfs/dbraw/zinc/19/95/02/574199502.db2.gz	PHCSEKALUUCRGG-AATRIKPKSA-N	-1	0	297.266	2.606	20	30		CFEDRM
N#Cc1ccccc1COC(=O)c1ccccc1C(=O)[O-]	ZINC000739147042	574199541	/nfs/dbraw/zinc/19/95/41/574199541.db2.gz	PGULJKUTBWVTID-UHFFFAOYSA-N	-1	0	281.267	2.613	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738597347	574203412	/nfs/dbraw/zinc/20/34/12/574203412.db2.gz	RFSVMFUHBFMTLC-QMMMGPOBSA-N	-1	0	295.726	2.662	20	30		CFEDRM
Cc1cccc(NN=Cc2cccc(OCC(=O)[O-])c2)c1	ZINC000733200211	574210954	/nfs/dbraw/zinc/21/09/54/574210954.db2.gz	BWGGJZUXJBDMGR-UHFFFAOYSA-N	-1	0	284.315	2.904	20	30		CFEDRM
CN(C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1)C(=O)[O-]	ZINC000739664973	574222287	/nfs/dbraw/zinc/22/22/87/574222287.db2.gz	VBKLZNWCRBHKQJ-SNVBAGLBSA-N	-1	0	293.754	2.648	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)c1	ZINC000748005569	574224291	/nfs/dbraw/zinc/22/42/91/574224291.db2.gz	VXZYUKPKACPLHC-HNNXBMFYSA-N	-1	0	296.351	2.919	20	30		CFEDRM
C[C@H]1CCC[C@H](OCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000748005435	574224418	/nfs/dbraw/zinc/22/44/18/574224418.db2.gz	KKASLFUHEWNMLC-AAEUAGOBSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748003452	574224427	/nfs/dbraw/zinc/22/44/27/574224427.db2.gz	VXVBTSYQLUFQNV-ABAIWWIYSA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1	ZINC000739924400	574229659	/nfs/dbraw/zinc/22/96/59/574229659.db2.gz	HDONPTGQNDONKP-ZLYHGVDXSA-N	-1	0	299.330	2.502	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2ccc(F)cc2)cc1[O-]	ZINC000748130605	574230981	/nfs/dbraw/zinc/23/09/81/574230981.db2.gz	BEOMTJXHOUANHA-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
C=CCC[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000756379965	574231278	/nfs/dbraw/zinc/23/12/78/574231278.db2.gz	PNOLIZNXTGJTJY-CQSZACIVSA-N	-1	0	286.331	2.851	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000748147899	574232418	/nfs/dbraw/zinc/23/24/18/574232418.db2.gz	QAPFWTGJOXMDRD-HYXAFXHYSA-N	-1	0	290.300	2.961	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2cc(F)cc(F)c2)c1	ZINC000740155831	574240171	/nfs/dbraw/zinc/24/01/71/574240171.db2.gz	VWCWRHZRVWZTKH-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2ccccc2)c1	ZINC000740161316	574240515	/nfs/dbraw/zinc/24/05/15/574240515.db2.gz	OAMVZBOZYOXLER-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NNCc3ccccc3)c2c1	ZINC000740188578	574242188	/nfs/dbraw/zinc/24/21/88/574242188.db2.gz	CHNSOQPEVDOQMC-UHFFFAOYSA-N	-1	0	293.326	2.990	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCCC1	ZINC000740309920	574246682	/nfs/dbraw/zinc/24/66/82/574246682.db2.gz	POSRJQGCFBMMCK-UHFFFAOYSA-N	-1	0	299.330	2.750	20	30		CFEDRM
N#Cc1ccc(SC[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000740320483	574247280	/nfs/dbraw/zinc/24/72/80/574247280.db2.gz	RXDFWERFNWIVFZ-LLVKDONJSA-N	-1	0	262.334	2.650	20	30		CFEDRM
N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)[O-])c(F)c1	ZINC000740319835	574247293	/nfs/dbraw/zinc/24/72/93/574247293.db2.gz	ZLCOTVCYVVOGHF-NSHDSACASA-N	-1	0	277.299	2.642	20	30		CFEDRM
Cc1ccc([C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000748410259	574250777	/nfs/dbraw/zinc/25/07/77/574250777.db2.gz	GCUIJLXJBZFCAQ-SNVBAGLBSA-N	-1	0	270.288	2.908	20	30		CFEDRM
COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1F	ZINC000748410164	574250939	/nfs/dbraw/zinc/25/09/39/574250939.db2.gz	CRWAABCSUXSOFX-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410631	574251315	/nfs/dbraw/zinc/25/13/15/574251315.db2.gz	BHBXJYGNGCQDQE-LLVKDONJSA-N	-1	0	282.299	2.670	20	30		CFEDRM
CN(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1F	ZINC000748411024	574251504	/nfs/dbraw/zinc/25/15/04/574251504.db2.gz	TXUDRIKFIPKQRQ-UHFFFAOYSA-N	-1	0	299.305	2.721	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)ccn1	ZINC000733862276	574258903	/nfs/dbraw/zinc/25/89/03/574258903.db2.gz	KDDRTXABEDRSJO-UHFFFAOYSA-N	-1	0	298.408	2.555	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1cc(C)[nH]c1C	ZINC000756905785	574271800	/nfs/dbraw/zinc/27/18/00/574271800.db2.gz	KIKKVDGOHGNCKO-UHFFFAOYSA-N	-1	0	287.319	2.784	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccsc1	ZINC000756906207	574272248	/nfs/dbraw/zinc/27/22/48/574272248.db2.gz	UTZBMRZOPJJFHZ-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(C#N)cc1	ZINC000749062489	574278599	/nfs/dbraw/zinc/27/85/99/574278599.db2.gz	DDAUFPQWGOIFKQ-SECBINFHSA-N	-1	0	285.259	2.713	20	30		CFEDRM
Cc1nnc(N=NC[C@H](C)CCc2ccccc2)[n-]c1=O	ZINC000749157287	574283017	/nfs/dbraw/zinc/28/30/17/574283017.db2.gz	XRBGEBHDRIVALH-LLVKDONJSA-N	-1	0	285.351	2.552	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749621461	574302889	/nfs/dbraw/zinc/30/28/89/574302889.db2.gz	JHVQATVVAKGBPL-UHFFFAOYSA-N	-1	0	286.291	2.840	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC(C)C)CCC2	ZINC000749627228	574303058	/nfs/dbraw/zinc/30/30/58/574303058.db2.gz	ZWGKFGAIKZZHFN-UHFFFAOYSA-N	-1	0	265.309	2.999	20	30		CFEDRM
Cc1ncsc1C=NNc1cccc(C(=O)[O-])c1	ZINC000743417525	574305714	/nfs/dbraw/zinc/30/57/14/574305714.db2.gz	KBBQOCQIKSPHAX-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000749845088	574312392	/nfs/dbraw/zinc/31/23/92/574312392.db2.gz	OUEFLGGFDGFPFT-MUOOZZNISA-N	-1	0	285.303	2.918	20	30		CFEDRM
Cn1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000749853632	574312570	/nfs/dbraw/zinc/31/25/70/574312570.db2.gz	REFMWBYXSFACBM-UHFFFAOYSA-N	-1	0	277.711	2.823	20	30		CFEDRM
C=CC[C@@H](C)C(C)N=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000735409769	574322697	/nfs/dbraw/zinc/32/26/97/574322697.db2.gz	KVJRAFYJBJZDFZ-SNVBAGLBSA-N	-1	0	270.340	2.867	20	30		CFEDRM
C=CCCCOc1c(Cl)cc(-c2nn[nH]n2)cc1OC	ZINC000735413280	574322765	/nfs/dbraw/zinc/32/27/65/574322765.db2.gz	RQKGXLNNPLOMFC-UHFFFAOYSA-N	-1	0	294.742	2.874	20	30		CFEDRM
CC[C@](C)([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000750198340	574330486	/nfs/dbraw/zinc/33/04/86/574330486.db2.gz	OMMWGAOOEPMKMP-LURJTMIESA-N	-1	0	269.160	2.734	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@@H]2Cc2ccccc2)[n-]c1=O	ZINC000735609955	574331255	/nfs/dbraw/zinc/33/12/55/574331255.db2.gz	HUYWXPYDNYDIDU-CYBMUJFWSA-N	-1	0	297.362	2.696	20	30		CFEDRM
Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(C)[nH]1	ZINC000725859417	574335701	/nfs/dbraw/zinc/33/57/01/574335701.db2.gz	NVJFHLCZXMVCPG-UHFFFAOYSA-N	-1	0	298.371	2.512	20	30		CFEDRM
N#Cc1ccc(COC(=O)c2c(F)cc([O-])cc2F)cc1	ZINC000735951387	574343780	/nfs/dbraw/zinc/34/37/80/574343780.db2.gz	XAVUZLRUYHZZPU-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=S)NCCCC(=O)[O-]	ZINC000736108514	574350353	/nfs/dbraw/zinc/35/03/53/574350353.db2.gz	WWQCWTXSPGXEMW-UHFFFAOYSA-N	-1	0	298.452	2.794	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Oc1ccc(C)cc1C(=O)[O-]	ZINC000736102709	574350392	/nfs/dbraw/zinc/35/03/92/574350392.db2.gz	SXAXUVMBQRMALD-NSHDSACASA-N	-1	0	278.304	2.580	20	30		CFEDRM
C=CCNC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000736106223	574350418	/nfs/dbraw/zinc/35/04/18/574350418.db2.gz	UPHIQOSJCZLOIH-UHFFFAOYSA-N	-1	0	270.741	2.511	20	30		CFEDRM
C#CCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000736090049	574350430	/nfs/dbraw/zinc/35/04/30/574350430.db2.gz	SWTHNUYBEWZPJR-INIZCTEOSA-N	-1	0	281.311	2.936	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736094526	574350804	/nfs/dbraw/zinc/35/08/04/574350804.db2.gz	JRFHMUCMAPXBNS-UHFFFAOYSA-N	-1	0	287.678	2.790	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)nc1	ZINC000736092950	574350835	/nfs/dbraw/zinc/35/08/35/574350835.db2.gz	OFKFMGBEGPFABW-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1	ZINC000736094408	574350894	/nfs/dbraw/zinc/35/08/94/574350894.db2.gz	FCASOCLGVQVPMQ-UHFFFAOYSA-N	-1	0	260.293	2.569	20	30		CFEDRM
C=CCCCN(C)C(=O)c1ccc(NC(=O)[O-])cc1	ZINC000736097412	574351117	/nfs/dbraw/zinc/35/11/17/574351117.db2.gz	KVQACABMJFHKDZ-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=C1CCN(C(=O)c2ccccc2NC(=O)[O-])CC1	ZINC000736098286	574351246	/nfs/dbraw/zinc/35/12/46/574351246.db2.gz	RSZPHCKDTBHAPO-UHFFFAOYSA-N	-1	0	260.293	2.569	20	30		CFEDRM
Cc1ccc(N=NC(C)c2ccc(OCC(=O)[O-])cc2)nc1	ZINC000736125235	574352172	/nfs/dbraw/zinc/35/21/72/574352172.db2.gz	HDRAMIVZJGVHAK-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
N#Cc1ccc([C@H](Nc2ccc3c(c2)OCO3)C(=O)[O-])cc1	ZINC000739107460	574359057	/nfs/dbraw/zinc/35/90/57/574359057.db2.gz	CCCWZPYIGHDXOL-HNNXBMFYSA-N	-1	0	296.282	2.525	20	30		CFEDRM
CC1(C)C(N=Nc2ccc(C(=O)[O-])cc2)[C@H]2CCCO[C@H]21	ZINC000743418694	574363463	/nfs/dbraw/zinc/36/34/63/574363463.db2.gz	GXHVCEYKNYQOLK-TZMCWYRMSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000398202189	574363636	/nfs/dbraw/zinc/36/36/36/574363636.db2.gz	FZLZHUHORBAPHQ-GHMZBOCLSA-N	-1	0	270.373	2.530	20	30		CFEDRM
CC(C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736355655	574364712	/nfs/dbraw/zinc/36/47/12/574364712.db2.gz	RLAFNWRQMFZNMN-GWCFXTLKSA-N	-1	0	275.304	2.519	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ccc(Cl)nc2)ccc1[O-]	ZINC000743450844	574365062	/nfs/dbraw/zinc/36/50/62/574365062.db2.gz	RQFAWLFDEFFTGB-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1F	ZINC000751348664	574374843	/nfs/dbraw/zinc/37/48/43/574374843.db2.gz	MKFKKDHNGKDTSJ-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
N#CCc1ccc(COC(=O)c2ccc(O)cc2F)cc1	ZINC000751569363	574379246	/nfs/dbraw/zinc/37/92/46/574379246.db2.gz	SLMUXFRXHBRHGH-UHFFFAOYSA-N	-1	0	285.274	2.954	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NNC(=S)NCC1CCC1	ZINC000753165928	574399649	/nfs/dbraw/zinc/39/96/49/574399649.db2.gz	RKYZLAYUBDEZQM-UHFFFAOYSA-N	-1	0	297.811	2.644	20	30		CFEDRM
COc1cccc(O)c1/C=N/Cc1ccc(C(=O)[O-])cc1	ZINC000818622435	597165494	/nfs/dbraw/zinc/16/54/94/597165494.db2.gz	IIVHKJOQRDJPBC-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
N#Cc1csc(CNc2cccc(CC(=O)[O-])c2)c1	ZINC000819111288	597483866	/nfs/dbraw/zinc/48/38/66/597483866.db2.gz	QJABPJAIPNYGNI-UHFFFAOYSA-N	-1	0	272.329	2.859	20	30		CFEDRM
N#CC1(COC(=O)c2cccc(C(=O)[O-])c2)CCCC1	ZINC000821320036	597649658	/nfs/dbraw/zinc/64/96/58/597649658.db2.gz	HAYOHENODGCYFP-UHFFFAOYSA-N	-1	0	273.288	2.626	20	30		CFEDRM
O=C([O-])CCNN=C1CC(c2ccc(Cl)cc2)C1	ZINC000821524440	597739680	/nfs/dbraw/zinc/73/96/80/597739680.db2.gz	AYQPXFMMXIQTKJ-UHFFFAOYSA-N	-1	0	266.728	2.638	20	30		CFEDRM
N#CCc1ccccc1CC(=O)Nc1ccccc1C(=O)[O-]	ZINC000821324329	598196420	/nfs/dbraw/zinc/19/64/20/598196420.db2.gz	ADWQZTNFMXHWOR-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1	ZINC000820113965	598222409	/nfs/dbraw/zinc/22/24/09/598222409.db2.gz	JFZXFOIIMKUKST-XPTSAGLGSA-N	-1	0	294.738	2.522	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000819713351	598227398	/nfs/dbraw/zinc/22/73/98/598227398.db2.gz	KTZGXPVLBWBMOH-MRXNPFEDSA-N	-1	0	292.379	2.586	20	30		CFEDRM
CCCc1sc(C(=O)[N-]S(C)(=O)=O)cc1CC	ZINC000042280339	620604545	/nfs/dbraw/zinc/60/45/45/620604545.db2.gz	HDNIEWHTUIPDSM-UHFFFAOYSA-N	-1	0	275.395	2.527	20	30		CFEDRM
N#Cc1ccc(OCc2cc(C(=O)[O-])co2)cc1F	ZINC000133945547	599968698	/nfs/dbraw/zinc/96/86/98/599968698.db2.gz	OTZWXTVLLHIVKN-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
N#Cc1c(F)cccc1N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000156621234	600006073	/nfs/dbraw/zinc/00/60/73/600006073.db2.gz	LZPATVKAEVZLDD-UHFFFAOYSA-N	-1	0	282.274	2.916	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000236916719	600036453	/nfs/dbraw/zinc/03/64/53/600036453.db2.gz	FNXZAUNDFPPGJB-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
N#Cc1cccc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1	ZINC000058011996	600080348	/nfs/dbraw/zinc/08/03/48/600080348.db2.gz	BZSQFJAZGJHRCM-UHFFFAOYSA-N	-1	0	278.311	2.772	20	30		CFEDRM
N#Cc1cc(NC2CCN(C(=O)[O-])CC2)nc2ccccc12	ZINC000738424707	600205677	/nfs/dbraw/zinc/20/56/77/600205677.db2.gz	BGBVLUJRDSOUIX-UHFFFAOYSA-N	-1	0	296.330	2.661	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1	ZINC000706476486	600354511	/nfs/dbraw/zinc/35/45/11/600354511.db2.gz	ARHHVXINSOUNBM-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
C=CCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000091841251	600378720	/nfs/dbraw/zinc/37/87/20/600378720.db2.gz	HTZILFALTIDDLX-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
COc1ccc(O)c(/C=N/C[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000738040632	600816977	/nfs/dbraw/zinc/81/69/77/600816977.db2.gz	BALAWJIXHWLLMK-GGNJANJASA-N	-1	0	279.336	2.567	20	30		CFEDRM
C#CCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605836	600822507	/nfs/dbraw/zinc/82/25/07/600822507.db2.gz	SJGKIMTXMDDZHC-SOFGYWHQSA-N	-1	0	274.276	2.518	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000111475926	600914479	/nfs/dbraw/zinc/91/44/79/600914479.db2.gz	DDIVHVMPYXKYKM-CHWSQXEVSA-N	-1	0	286.331	2.696	20	30		CFEDRM
CCCC[C@H](Sc1cc(C#N)ccn1)C(=O)[O-]	ZINC000232989581	600936917	/nfs/dbraw/zinc/93/69/17/600936917.db2.gz	OJQZIXMKKTUNFD-JTQLQIEISA-N	-1	0	250.323	2.689	20	30		CFEDRM
C=CCOCCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-]	ZINC000825698290	600939976	/nfs/dbraw/zinc/93/99/76/600939976.db2.gz	BFMUWEUNGUSZKS-UHFFFAOYSA-N	-1	0	298.722	2.926	20	30		CFEDRM
CCC(CC)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828854638	601109120	/nfs/dbraw/zinc/10/91/20/601109120.db2.gz	NUTBQNBOSVIXLI-ZDUSSCGKSA-N	-1	0	275.304	2.663	20	30		CFEDRM
C=CCCCC(=O)Oc1cc(OC)ccc1C(=O)[O-]	ZINC000825671546	601126656	/nfs/dbraw/zinc/12/66/56/601126656.db2.gz	SSMSQAKIFJKCTO-UHFFFAOYSA-N	-1	0	264.277	2.655	20	30		CFEDRM
COCCON=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000831766947	601149945	/nfs/dbraw/zinc/14/99/45/601149945.db2.gz	AUEYWXQKFQMGAB-UHFFFAOYSA-N	-1	0	289.287	2.642	20	30		CFEDRM
COCCON=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000831767066	601150038	/nfs/dbraw/zinc/15/00/38/601150038.db2.gz	GKJCUSGXQKMWEO-UHFFFAOYSA-N	-1	0	289.287	2.642	20	30		CFEDRM
C=CCCCC(=O)Oc1ccc(C(=O)[O-])cc1C(C)=O	ZINC000825671340	601206631	/nfs/dbraw/zinc/20/66/31/601206631.db2.gz	MZYONOMEXIJHDZ-UHFFFAOYSA-N	-1	0	276.288	2.849	20	30		CFEDRM
COc1ccc2c(c1)O/C(=C/c1ccc(C(=O)[O-])o1)C2=O	ZINC000832499919	601223021	/nfs/dbraw/zinc/22/30/21/601223021.db2.gz	SMYASOUJOYANKF-NTUHNPAUSA-N	-1	0	286.239	2.603	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000164675843	601242318	/nfs/dbraw/zinc/24/23/18/601242318.db2.gz	MSLZVNRYFYVZHK-UHFFFAOYSA-N	-1	0	280.349	2.550	20	30		CFEDRM
Cc1ccc2c(c1C)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CO2	ZINC000832960203	601332806	/nfs/dbraw/zinc/33/28/06/601332806.db2.gz	MZYHBFWWYNLPEH-XFFZJAGNSA-N	-1	0	297.310	2.988	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc(Cl)c2)[nH]1	ZINC000833312225	601336597	/nfs/dbraw/zinc/33/65/97/601336597.db2.gz	MNXFMGVHALLWFO-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000825723876	601349670	/nfs/dbraw/zinc/34/96/70/601349670.db2.gz	CTTSPOCWLBHWEE-JOZWUWCOSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C/C(=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000825723877	601349752	/nfs/dbraw/zinc/34/97/52/601349752.db2.gz	CTTSPOCWLBHWEE-VSGCLNPGSA-N	-1	0	285.299	2.583	20	30		CFEDRM
C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccco1	ZINC000826061181	601354541	/nfs/dbraw/zinc/35/45/41/601354541.db2.gz	CRUJPTHEYDSONP-IINYFYTJSA-N	-1	0	299.282	2.624	20	30		CFEDRM
COc1cccc(C=Nc2ccccc2CC(=O)[O-])c1O	ZINC000818620950	601365294	/nfs/dbraw/zinc/36/52/94/601365294.db2.gz	YCEOMYNGFMLLPT-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833065444	601403098	/nfs/dbraw/zinc/40/30/98/601403098.db2.gz	DGUDGGDGVZYOJU-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NC1CCN(C(=O)[O-])CC1	ZINC000833070482	601409838	/nfs/dbraw/zinc/40/98/38/601409838.db2.gz	IMTIATPAWASBBP-UHFFFAOYSA-N	-1	0	296.330	2.661	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(CC)C[C@H](C)C#N	ZINC000830363050	601413613	/nfs/dbraw/zinc/41/36/13/601413613.db2.gz	NMIXNZIWMDLWGT-SNVBAGLBSA-N	-1	0	264.325	2.522	20	30		CFEDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1	ZINC000826127330	601438507	/nfs/dbraw/zinc/43/85/07/601438507.db2.gz	QYYCBODLLANPGW-UHFFFAOYSA-N	-1	0	297.314	2.501	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000833094839	601444829	/nfs/dbraw/zinc/44/48/29/601444829.db2.gz	LJNHUAPMECPVEQ-XBXARRHUSA-N	-1	0	286.243	2.517	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000825671141	601447852	/nfs/dbraw/zinc/44/78/52/601447852.db2.gz	DXOCFFPSTSKGTD-UHFFFAOYSA-N	-1	0	251.257	2.819	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2cccc(NC(=O)[O-])c2)c1	ZINC000833078735	601534731	/nfs/dbraw/zinc/53/47/31/601534731.db2.gz	PHDWMPMEFPZLQF-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C[C@@H]1CC/C(=C/C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000828206578	601568713	/nfs/dbraw/zinc/56/87/13/601568713.db2.gz	AXPDNFFFMJYDIW-FVIVFAEASA-N	-1	0	299.326	2.974	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000827214038	601619624	/nfs/dbraw/zinc/61/96/24/601619624.db2.gz	WUCMICQYANMMIZ-SECBINFHSA-N	-1	0	276.296	2.542	20	30		CFEDRM
C=CCNc1cc(C(=O)[O-])c(F)cc1Br	ZINC000825691842	601621130	/nfs/dbraw/zinc/62/11/30/601621130.db2.gz	BBNWUKWIKPYKEN-UHFFFAOYSA-N	-1	0	274.089	2.884	20	30		CFEDRM
Cc1sc(C(=O)[O-])cc1CON=C(N)c1cccs1	ZINC000833030795	601631054	/nfs/dbraw/zinc/63/10/54/601631054.db2.gz	BYYFUQONDGAJSK-UHFFFAOYSA-N	-1	0	296.373	2.653	20	30		CFEDRM
N#Cc1cccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1	ZINC000833074517	601703472	/nfs/dbraw/zinc/70/34/72/601703472.db2.gz	ZRMDBTVPSKTEPI-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
C=CCCCC(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC000825671223	601745731	/nfs/dbraw/zinc/74/57/31/601745731.db2.gz	HMVLZZKZIUYUOA-UHFFFAOYSA-N	-1	0	282.365	2.845	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000825660103	601754344	/nfs/dbraw/zinc/75/43/44/601754344.db2.gz	STEXJQRXTDAIOG-ZETCQYMHSA-N	-1	0	267.260	2.612	20	30		CFEDRM
Cc1nn(Cc2ccccc2C#N)c(C)c1[C@@H](C)C(=O)[O-]	ZINC000833020994	601778845	/nfs/dbraw/zinc/77/88/45/601778845.db2.gz	DUKICCDOFKVHFL-SNVBAGLBSA-N	-1	0	283.331	2.608	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)c(F)c1	ZINC000832156958	601791159	/nfs/dbraw/zinc/79/11/59/601791159.db2.gz	IFSLDSZEBZLGPQ-DJWKRKHSSA-N	-1	0	289.262	2.757	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832157011	601791196	/nfs/dbraw/zinc/79/11/96/601791196.db2.gz	JEFCAESVPLHDAS-UQCOIBPSSA-N	-1	0	271.272	2.618	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000832912300	601791285	/nfs/dbraw/zinc/79/12/85/601791285.db2.gz	YLXVAIOCVYSWJL-QPJJXVBHSA-N	-1	0	255.273	2.917	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3ccccc3C2=O)c[nH]1	ZINC000833298254	601791440	/nfs/dbraw/zinc/79/14/40/601791440.db2.gz	QVJLIKGXARRHEA-WZUFQYTHSA-N	-1	0	253.257	2.535	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc(F)c(F)c2)c[nH]1	ZINC000833092526	601792059	/nfs/dbraw/zinc/79/20/59/601792059.db2.gz	HSRZXIXSMHYRJM-RJRFIUFISA-N	-1	0	277.226	2.887	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)s1	ZINC000832910702	601792090	/nfs/dbraw/zinc/79/20/90/601792090.db2.gz	BJHUGISZHROVHE-ARJAWSKDSA-N	-1	0	261.302	2.979	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1F	ZINC000832156632	601792226	/nfs/dbraw/zinc/79/22/26/601792226.db2.gz	AGOQKNNTUZIFJI-RQOWECAXSA-N	-1	0	289.262	2.757	20	30		CFEDRM
Cc1cccc2c1OC/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832975412	601793042	/nfs/dbraw/zinc/79/30/42/601793042.db2.gz	UXSNWROGUZWDII-WZUFQYTHSA-N	-1	0	283.283	2.680	20	30		CFEDRM
CCc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)o1	ZINC000830229547	601793838	/nfs/dbraw/zinc/79/38/38/601793838.db2.gz	XKBQJPBQSYHQRQ-HYXAFXHYSA-N	-1	0	259.261	2.764	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cc(F)cc(F)c2[O-])[C@H]1C#N	ZINC000935662833	649927561	/nfs/dbraw/zinc/92/75/61/649927561.db2.gz	LPJDQXBRDFSBKQ-LBPRGKRZSA-N	-1	0	294.301	2.825	20	30		CFEDRM
COc1cccc(O)c1/C=N\Cc1cccc(C(=O)[O-])c1	ZINC000832561984	601845432	/nfs/dbraw/zinc/84/54/32/601845432.db2.gz	ISGJBRPTZRLPIG-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
O=C(C#Cc1ccccc1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833092038	602050566	/nfs/dbraw/zinc/05/05/66/602050566.db2.gz	LOUQEJNRFARQDS-CVEARBPZSA-N	-1	0	299.370	2.578	20	30		CFEDRM
O=C(C#Cc1ccccc1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833092041	602050800	/nfs/dbraw/zinc/05/08/00/602050800.db2.gz	LOUQEJNRFARQDS-JKSUJKDBSA-N	-1	0	299.370	2.578	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCc2ccnc(Cl)c2)cc1	ZINC000833313418	602124385	/nfs/dbraw/zinc/12/43/85/602124385.db2.gz	VSHORXLSSJPJCT-UHFFFAOYSA-N	-1	0	290.706	2.984	20	30		CFEDRM
C#CCCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605744	602147058	/nfs/dbraw/zinc/14/70/58/602147058.db2.gz	PKECZJYTWVXIJF-VQHVLOKHSA-N	-1	0	288.303	2.908	20	30		CFEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc2ccccc2s1	ZINC000827241308	602178619	/nfs/dbraw/zinc/17/86/19/602178619.db2.gz	VNWSSCOYCAVPOM-DTWKUNHWSA-N	-1	0	288.328	2.583	20	30		CFEDRM
N#Cc1cc(COc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000236481158	602287218	/nfs/dbraw/zinc/28/72/18/602287218.db2.gz	WFVLVSANGQSVRF-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCN(C(=O)[O-])C2)cc1C(F)(F)F	ZINC000220200972	602491337	/nfs/dbraw/zinc/49/13/37/602491337.db2.gz	MEZYNRAJFRRBQY-SNVBAGLBSA-N	-1	0	299.252	2.741	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823490652	602955493	/nfs/dbraw/zinc/95/54/93/602955493.db2.gz	IQEFIXQSEYKOIH-SCRDCRAPSA-N	-1	0	290.363	2.712	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(C#N)cc2)cc1	ZINC000827914563	603038122	/nfs/dbraw/zinc/03/81/22/603038122.db2.gz	ZMMIBBKPPMFUAW-UHFFFAOYSA-N	-1	0	296.282	2.892	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2ccccc2)cn1	ZINC000832841599	603486089	/nfs/dbraw/zinc/48/60/89/603486089.db2.gz	ZJVKOAVCSJFNKS-UHFFFAOYSA-N	-1	0	256.265	2.618	20	30		CFEDRM
C=CCCCON=C(N)c1cccc(NC(=O)[O-])c1	ZINC000823497195	603621859	/nfs/dbraw/zinc/62/18/59/603621859.db2.gz	YHJYCUPAJPADLI-UHFFFAOYSA-N	-1	0	263.297	2.589	20	30		CFEDRM
O=C([O-])N1CCc2cccc(CN=Nc3ccccn3)c21	ZINC000832080172	603821065	/nfs/dbraw/zinc/82/10/65/603821065.db2.gz	SLIHPTYJIMPIOQ-UHFFFAOYSA-N	-1	0	282.303	2.568	20	30		CFEDRM
CN(C(=O)c1c(O)cnc2c(F)cccc21)C1(C#N)CCC1	ZINC000900354504	620663450	/nfs/dbraw/zinc/66/34/50/620663450.db2.gz	DEAAOYHQVBKIQD-UHFFFAOYSA-N	-1	0	299.305	2.598	20	30		CFEDRM
C#Cc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1	ZINC000900354896	620663457	/nfs/dbraw/zinc/66/34/57/620663457.db2.gz	COPIEHYOMSCNCD-NSHDSACASA-N	-1	0	286.331	2.527	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1	ZINC000900355049	620664102	/nfs/dbraw/zinc/66/41/02/620664102.db2.gz	GRSXZIGMFILJQU-RISCZKNCSA-N	-1	0	288.347	2.679	20	30		CFEDRM
C[C@H](NN=CC1CCN(C(=O)[O-])CC1)c1ccccc1	ZINC000825502960	603857332	/nfs/dbraw/zinc/85/73/32/603857332.db2.gz	MRGLCFXKMLCIFJ-LBPRGKRZSA-N	-1	0	275.352	2.713	20	30		CFEDRM
C[C@@H](CCNc1nc2ccccc2cc1C#N)NC(=O)[O-]	ZINC000824802639	603950526	/nfs/dbraw/zinc/95/05/26/603950526.db2.gz	MXXKSNJPJAZXMU-JTQLQIEISA-N	-1	0	284.319	2.565	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490733	604046593	/nfs/dbraw/zinc/04/65/93/604046593.db2.gz	KJHSPWXLPGTAFD-TZMCWYRMSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C=C(C)COC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823480767	604225965	/nfs/dbraw/zinc/22/59/65/604225965.db2.gz	NTFBWMBXFJSXAG-AAEUAGOBSA-N	-1	0	277.320	2.751	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823500256	604282626	/nfs/dbraw/zinc/28/26/26/604282626.db2.gz	DKGJGROVFDOUTR-KBPBESRZSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823500259	604282648	/nfs/dbraw/zinc/28/26/48/604282648.db2.gz	DKGJGROVFDOUTR-ZIAGYGMSSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=C1CCN(C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)CC1	ZINC000823485673	604339305	/nfs/dbraw/zinc/33/93/05/604339305.db2.gz	IGNWTKPRFUZENF-KGLIPLIRSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C=C(C)COC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823480991	604412766	/nfs/dbraw/zinc/41/27/66/604412766.db2.gz	UODKYMQPFNBWOZ-NWDGAFQWSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833373905	604496978	/nfs/dbraw/zinc/49/69/78/604496978.db2.gz	INFATXDAFBEFRE-HIFPTAJRSA-N	-1	0	284.352	2.544	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000832849942	604566205	/nfs/dbraw/zinc/56/62/05/604566205.db2.gz	UQASOOPBHZKJIS-NEPJUHHUSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C/C(=C/C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CC1	ZINC000833382323	604582354	/nfs/dbraw/zinc/58/23/54/604582354.db2.gz	IPZGDLGHXGFDPQ-YFHOEESVSA-N	-1	0	285.299	2.656	20	30		CFEDRM
Cc1cc([C@H](C)OC(=O)C2(C#N)CCC2)oc1C(=O)[O-]	ZINC000832878885	604590802	/nfs/dbraw/zinc/59/08/02/604590802.db2.gz	ZFKWRJMEPQRWRL-VIFPVBQESA-N	-1	0	277.276	2.584	20	30		CFEDRM
C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1	ZINC000833591380	604602399	/nfs/dbraw/zinc/60/23/99/604602399.db2.gz	LMKVMAMETDCMPP-TXEJJXNPSA-N	-1	0	272.348	2.734	20	30		CFEDRM
C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@H](C)S1	ZINC000833629701	604610738	/nfs/dbraw/zinc/61/07/38/604610738.db2.gz	LLRQKJOELIZHLI-PHIMTYICSA-N	-1	0	290.388	2.582	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1ccccc1CC(=O)[O-])OCC	ZINC000833368937	604611826	/nfs/dbraw/zinc/61/18/26/604611826.db2.gz	XZTDJQQEOCKGQA-AWEZNQCLSA-N	-1	0	292.331	2.590	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc(O)c2)cc1	ZINC000220150133	604626423	/nfs/dbraw/zinc/62/64/23/604626423.db2.gz	AHNRCPLJJSVOIT-WTKPLQERSA-N	-1	0	268.268	2.987	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000776686377	604650810	/nfs/dbraw/zinc/65/08/10/604650810.db2.gz	RGVHJFBTQXEZDN-MRXNPFEDSA-N	-1	0	293.322	2.879	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763369754	604666906	/nfs/dbraw/zinc/66/69/06/604666906.db2.gz	IUFWXCZMPGBRHW-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
COc1cccc2c1CCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372052	604667578	/nfs/dbraw/zinc/66/75/78/604667578.db2.gz	POBDZPJSPMGZAA-UHFFFAOYSA-N	-1	0	297.314	2.551	20	30		CFEDRM
C[C@H]1C[C@@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763371676	604668507	/nfs/dbraw/zinc/66/85/07/604668507.db2.gz	HUQVARRLKPPHNQ-CABZTGNLSA-N	-1	0	285.303	2.942	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(F)cc(F)c1	ZINC000763371905	604669295	/nfs/dbraw/zinc/66/92/95/604669295.db2.gz	LTCSTWZHKVXVLG-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
CC(C)(C)/N=C1/NN=C(c2cccc(C(=O)[O-])c2)CS1	ZINC000833430423	604742897	/nfs/dbraw/zinc/74/28/97/604742897.db2.gz	BWYPLKBBQXZVNS-UHFFFAOYSA-N	-1	0	291.376	2.580	20	30		CFEDRM
N#Cc1cc(F)ccc1NC[C@H](C(=O)[O-])c1ccccc1	ZINC000111026247	604801192	/nfs/dbraw/zinc/80/11/92/604801192.db2.gz	MDOYMXNAWQCQAA-AWEZNQCLSA-N	-1	0	284.290	2.978	20	30		CFEDRM
C=CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccccc1	ZINC000008365467	604990123	/nfs/dbraw/zinc/99/01/23/604990123.db2.gz	JYRRYQKQIDRABE-SNVBAGLBSA-N	-1	0	289.360	2.696	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)c1ccc(C(=O)[O-])s1	ZINC000833373505	604991819	/nfs/dbraw/zinc/99/18/19/604991819.db2.gz	QXCMFXVAOQTHAP-QMMMGPOBSA-N	-1	0	254.307	2.958	20	30		CFEDRM
C=CCCC(=O)COc1ccc(C(=O)[O-])cc1Cl	ZINC000833372905	605001805	/nfs/dbraw/zinc/00/18/05/605001805.db2.gz	AMVQOEIDVFRXMA-UHFFFAOYSA-N	-1	0	268.696	2.952	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000236457559	605004710	/nfs/dbraw/zinc/00/47/10/605004710.db2.gz	YFFHBOBGQNNVJN-UHFFFAOYSA-N	-1	0	263.268	2.656	20	30		CFEDRM
CC#CCN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000833380871	605005623	/nfs/dbraw/zinc/00/56/23/605005623.db2.gz	RCEOYRCCLAUTIL-LLVKDONJSA-N	-1	0	272.131	2.732	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000833362795	605007195	/nfs/dbraw/zinc/00/71/95/605007195.db2.gz	LKQONHCZSFWMCF-CQSZACIVSA-N	-1	0	291.322	2.651	20	30		CFEDRM
CC(C)(C)c1cc(NC(=O)CCC(=O)[O-])c(C#N)s1	ZINC000833450350	605026083	/nfs/dbraw/zinc/02/60/83/605026083.db2.gz	PTPCHTRFVCQFFB-UHFFFAOYSA-N	-1	0	280.349	2.721	20	30		CFEDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1	ZINC000833419201	605073053	/nfs/dbraw/zinc/07/30/53/605073053.db2.gz	NOVVLZNSAGEIBU-UHFFFAOYSA-N	-1	0	297.314	2.501	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000833373709	605076944	/nfs/dbraw/zinc/07/69/44/605076944.db2.gz	ZBDXJTLBKLOHLQ-RYUDHWBXSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC(CC(=O)[O-])CC1	ZINC000398238144	605086238	/nfs/dbraw/zinc/08/62/38/605086238.db2.gz	XLSDWZAIHMKHFP-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)C2CCC(C(=O)[O-])CC2)c1	ZINC000833368342	605085677	/nfs/dbraw/zinc/08/56/77/605085677.db2.gz	MFORFYYPOOOOAD-UHFFFAOYSA-N	-1	0	285.343	2.522	20	30		CFEDRM
CC(C)(C#N)CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000833412745	605090479	/nfs/dbraw/zinc/09/04/79/605090479.db2.gz	FZAXGRDKVQXDQN-UHFFFAOYSA-N	-1	0	295.726	2.709	20	30		CFEDRM
CC(C)(C#N)CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000833412650	605095370	/nfs/dbraw/zinc/09/53/70/605095370.db2.gz	DHDUPMCSMTVEGL-UHFFFAOYSA-N	-1	0	295.726	2.709	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1nc(Cl)cs1	ZINC000758100650	605099864	/nfs/dbraw/zinc/09/98/64/605099864.db2.gz	XNSCTRMEAGSGMW-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC#CCNc1cc(C(=O)[O-])c(F)cc1Br	ZINC000833380848	605102855	/nfs/dbraw/zinc/10/28/55/605102855.db2.gz	QKTZQBGRFUZWAS-UHFFFAOYSA-N	-1	0	286.100	2.722	20	30		CFEDRM
C#CCCCOc1ccc(C(=O)[O-])cc1Br	ZINC000396413604	605148996	/nfs/dbraw/zinc/14/89/96/605148996.db2.gz	NWUVSVUIUDPAOL-UHFFFAOYSA-N	-1	0	283.121	2.940	20	30		CFEDRM
CO[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833718920	605157994	/nfs/dbraw/zinc/15/79/94/605157994.db2.gz	SMOGGSYRWMEVIH-QMMMGPOBSA-N	-1	0	270.716	2.861	20	30		CFEDRM
C=C(C)[C@H](CO)Sc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833368281	605178967	/nfs/dbraw/zinc/17/89/67/605178967.db2.gz	GCDSKMSXBKWCKM-NSHDSACASA-N	-1	0	279.317	2.555	20	30		CFEDRM
C#CCCCOC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000833362472	605198515	/nfs/dbraw/zinc/19/85/15/605198515.db2.gz	UCBKHRQIFHJSET-LLVKDONJSA-N	-1	0	292.356	2.822	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)CCC(C)(C)NC(=O)[O-]	ZINC000829839532	605204583	/nfs/dbraw/zinc/20/45/83/605204583.db2.gz	LRSQFNQYIMJRPX-UHFFFAOYSA-N	-1	0	289.335	2.632	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](CSc2ccc(C#N)cc2)O1	ZINC000833581593	605235664	/nfs/dbraw/zinc/23/56/64/605235664.db2.gz	PETVKCWJYPNZOY-LLVKDONJSA-N	-1	0	275.329	2.798	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](CSc2ccc(C#N)cc2F)O1	ZINC000833579413	605236770	/nfs/dbraw/zinc/23/67/70/605236770.db2.gz	BTNIGWIIHHYWEH-JTQLQIEISA-N	-1	0	293.319	2.937	20	30		CFEDRM
N#Cc1csc(CNc2cccc(CNC(=O)[O-])c2)c1	ZINC000831161699	605248362	/nfs/dbraw/zinc/24/83/62/605248362.db2.gz	JMXRPCUYMAKSGK-UHFFFAOYSA-N	-1	0	287.344	2.999	20	30		CFEDRM
CC(C)(C)CCNN=Cc1ccc(OCC(=O)[O-])cc1	ZINC000782903420	605262001	/nfs/dbraw/zinc/26/20/01/605262001.db2.gz	VJYKIRQZHGNVHG-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
C=CCOc1ccccc1CNc1cncc(C(=O)[O-])c1	ZINC000833378524	605325771	/nfs/dbraw/zinc/32/57/71/605325771.db2.gz	IPYCJDZEXIPRCW-UHFFFAOYSA-N	-1	0	284.315	2.957	20	30		CFEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccc(C#N)cc1	ZINC000824760056	605462487	/nfs/dbraw/zinc/46/24/87/605462487.db2.gz	SBCMJIIYZVRDSK-CQSZACIVSA-N	-1	0	286.335	2.879	20	30		CFEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccc(C#N)cc1	ZINC000824760055	605462794	/nfs/dbraw/zinc/46/27/94/605462794.db2.gz	SBCMJIIYZVRDSK-AWEZNQCLSA-N	-1	0	286.335	2.879	20	30		CFEDRM
C#Cc1ccc(C(=O)OCc2cccc(NC(=O)[O-])c2)cn1	ZINC000823466608	605546543	/nfs/dbraw/zinc/54/65/43/605546543.db2.gz	GFNARMGWYUQTLQ-UHFFFAOYSA-N	-1	0	296.282	2.510	20	30		CFEDRM
Cc1cccc(OCc2cccc(C(=O)[O-])c2C#N)n1	ZINC000833753298	605562858	/nfs/dbraw/zinc/56/28/58/605562858.db2.gz	KAVLEOCHDZBWPW-UHFFFAOYSA-N	-1	0	268.272	2.539	20	30		CFEDRM
C#CCCCCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000833361814	605577040	/nfs/dbraw/zinc/57/70/40/605577040.db2.gz	NHNJKXSSVWCHAP-MRXNPFEDSA-N	-1	0	299.370	2.608	20	30		CFEDRM
CC(=NN[C@@H]1CCO[C@@H](C)C1)[C@H](C)CCCCC(=O)[O-]	ZINC000814897300	605580327	/nfs/dbraw/zinc/58/03/27/605580327.db2.gz	OWPNHNGKHCMXDO-MBNYWOFBSA-N	-1	0	284.400	2.801	20	30		CFEDRM
C#CCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000833362083	605614657	/nfs/dbraw/zinc/61/46/57/605614657.db2.gz	YQMXQJSIXWXMNU-INIZCTEOSA-N	-1	0	287.359	2.854	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])co1	ZINC000833361763	605673399	/nfs/dbraw/zinc/67/33/99/605673399.db2.gz	KKBHVVOHXVQKJU-UHFFFAOYSA-N	-1	0	264.277	2.605	20	30		CFEDRM
Cc1cc(C(=O)NCCCCC#N)ccc1NC(=O)[O-]	ZINC000829950478	605676995	/nfs/dbraw/zinc/67/69/95/605676995.db2.gz	KSOHISVVWWTXSL-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC1CCCC1	ZINC000834101919	605724074	/nfs/dbraw/zinc/72/40/74/605724074.db2.gz	BRQQICRIRHUKNS-JSGCOSHPSA-N	-1	0	279.384	2.817	20	30		CFEDRM
N#Cc1ccc2nc(NC[C@H](NC(=O)[O-])C3CC3)ccc2c1	ZINC000833977567	605769406	/nfs/dbraw/zinc/76/94/06/605769406.db2.gz	UFWRIGKDIPMWOP-AWEZNQCLSA-N	-1	0	296.330	2.565	20	30		CFEDRM
C=CCCCC(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833373478	605816800	/nfs/dbraw/zinc/81/68/00/605816800.db2.gz	QKGXSLWBRUWBQP-UHFFFAOYSA-N	-1	0	266.268	2.923	20	30		CFEDRM
Cc1cc(C(=O)OCCCCC#N)ccc1NC(=O)[O-]	ZINC000829976156	605830370	/nfs/dbraw/zinc/83/03/70/605830370.db2.gz	JZIADWHPSZLBNI-UHFFFAOYSA-N	-1	0	276.292	2.936	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cc(F)c(F)c(F)c1	ZINC000834171334	605861694	/nfs/dbraw/zinc/86/16/94/605861694.db2.gz	XYSMXGWHPIPOOX-VIFPVBQESA-N	-1	0	287.241	2.692	20	30		CFEDRM
C=CCSCCNC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823516820	605892154	/nfs/dbraw/zinc/89/21/54/605892154.db2.gz	WKKCTGWSEJNKKJ-UHFFFAOYSA-N	-1	0	294.376	2.734	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](CNC(=O)[O-])C[C@@H]1C	ZINC000833853576	605939124	/nfs/dbraw/zinc/93/91/24/605939124.db2.gz	QWXOINVLJCWXHK-STQMWFEESA-N	-1	0	284.400	2.852	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2ccc(Cl)nc2)CC1	ZINC000834096927	605992150	/nfs/dbraw/zinc/99/21/50/605992150.db2.gz	ISNGXWXMAPCGPC-UHFFFAOYSA-N	-1	0	282.731	2.667	20	30		CFEDRM
N#Cc1cccc(N=NC2CCCCC[C@H]2NC(=O)[O-])c1	ZINC000833975448	606077748	/nfs/dbraw/zinc/07/77/48/606077748.db2.gz	BRZAOKKXMGFOAD-CYBMUJFWSA-N	-1	0	286.335	2.926	20	30		CFEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NCCC(C)(C)C)o1	ZINC000824352528	607887504	/nfs/dbraw/zinc/88/75/04/607887504.db2.gz	HGFLNEUAGPQTTE-UHFFFAOYSA-N	-1	0	291.359	2.812	20	30		CFEDRM
C=CC1CCN(c2nc(C)c(C(=O)[O-])s2)CC1	ZINC000900940049	620733802	/nfs/dbraw/zinc/73/38/02/620733802.db2.gz	BAXLZHRZWCZMLT-UHFFFAOYSA-N	-1	0	252.339	2.552	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCc1ccc(Cl)cc1	ZINC000049417691	617604056	/nfs/dbraw/zinc/60/40/56/617604056.db2.gz	PCJUILYAIPRBQK-UHFFFAOYSA-N	-1	0	289.784	2.967	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501820	617607099	/nfs/dbraw/zinc/60/70/99/617607099.db2.gz	WFNNQOJUTCNWMH-UHFFFAOYSA-N	-1	0	261.368	2.810	20	30		CFEDRM
N#Cc1cc(NCc2cccc(C(=O)[O-])c2)nc(C2CC2)n1	ZINC000900956023	620736645	/nfs/dbraw/zinc/73/66/45/620736645.db2.gz	JZJBKEGNGGHDFM-UHFFFAOYSA-N	-1	0	294.314	2.536	20	30		CFEDRM
C=CC[C@@H]1CCCN(c2nc(C)c(C(=O)[O-])s2)C1	ZINC000900962759	620737597	/nfs/dbraw/zinc/73/75/97/620737597.db2.gz	RAPZXTVQQQRCCC-SNVBAGLBSA-N	-1	0	266.366	2.942	20	30		CFEDRM
CC(C)c1nn(C)cc1-c1ccc(CC(=O)[O-])c(C#N)c1	ZINC000901000783	620740306	/nfs/dbraw/zinc/74/03/06/620740306.db2.gz	NMHGZNVAXHIAPE-UHFFFAOYSA-N	-1	0	283.331	2.709	20	30		CFEDRM
CC(C)(C)n1cc(-c2cc(OCC(=O)[O-])ccc2C#N)cn1	ZINC000901070530	620746551	/nfs/dbraw/zinc/74/65/51/620746551.db2.gz	QIFFRJMDSSTPBC-UHFFFAOYSA-N	-1	0	299.330	2.640	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1ccc([O-])c(Cl)c1	ZINC000890648211	617733312	/nfs/dbraw/zinc/73/33/12/617733312.db2.gz	VFTVOOXWHRYPLV-LLVKDONJSA-N	-1	0	263.724	2.674	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000890651114	617736512	/nfs/dbraw/zinc/73/65/12/617736512.db2.gz	WYSGIOVXDSGGKI-NSHDSACASA-N	-1	0	286.356	2.744	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000890651523	617736870	/nfs/dbraw/zinc/73/68/70/617736870.db2.gz	QVDBTNXDBAWNQQ-SNVBAGLBSA-N	-1	0	263.724	2.674	20	30		CFEDRM
Cn1nc(C(=O)[O-])cc1-c1ccc(C2CC2)c(C#N)c1	ZINC000901080145	620750665	/nfs/dbraw/zinc/75/06/65/620750665.db2.gz	OXNLVIQRAQWNRP-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2cc(F)ccc2[O-])cn1	ZINC000255475273	617976694	/nfs/dbraw/zinc/97/66/94/617976694.db2.gz	SEELBIQVRFKRGF-HYXAFXHYSA-N	-1	0	260.268	2.644	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000048518767	617978544	/nfs/dbraw/zinc/97/85/44/617978544.db2.gz	DLRHFZCKAXPCQI-SECBINFHSA-N	-1	0	283.349	2.581	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@H]1SC	ZINC000807938739	617989790	/nfs/dbraw/zinc/98/97/90/617989790.db2.gz	HLJYIGJNDARUSZ-QWHCGFSZSA-N	-1	0	294.376	2.693	20	30		CFEDRM
O=C([O-])c1cc(C=NOC2CCOCC2)sc1Cl	ZINC000901223577	620773491	/nfs/dbraw/zinc/77/34/91/620773491.db2.gz	HNSUDNPZMSXSRR-UHFFFAOYSA-N	-1	0	289.740	2.629	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000048507843	618072690	/nfs/dbraw/zinc/07/26/90/618072690.db2.gz	URWIROHPBULKHR-UHFFFAOYSA-N	-1	0	294.376	2.781	20	30		CFEDRM
CC(C)c1ccc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1	ZINC000255542996	618097591	/nfs/dbraw/zinc/09/75/91/618097591.db2.gz	QJTOUFQYJZYKBL-TWGQIWQCSA-N	-1	0	298.342	2.505	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CCC)c1nnn[n-]1	ZINC000176748727	618108875	/nfs/dbraw/zinc/10/88/75/618108875.db2.gz	ZQIBWIJJGAXDIC-LLVKDONJSA-N	-1	0	267.377	2.518	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000034329023	618127515	/nfs/dbraw/zinc/12/75/15/618127515.db2.gz	BHKDJBBQYNRMBG-UHFFFAOYSA-N	-1	0	255.339	2.912	20	30		CFEDRM
C=C[C@@H](CCC(=O)[O-])NC(=O)O[C@@H](C)CC(C)C	ZINC000926479297	618151770	/nfs/dbraw/zinc/15/17/70/618151770.db2.gz	JCAVMZFVKLOMMU-QWRGUYRKSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccc(C)c(Cl)c1	ZINC000092462632	618180941	/nfs/dbraw/zinc/18/09/41/618180941.db2.gz	WTHZWZBXDYCNPS-UHFFFAOYSA-N	-1	0	295.766	2.680	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cncc(F)c2)n1	ZINC000255322765	618197113	/nfs/dbraw/zinc/19/71/13/618197113.db2.gz	JJPDBABMJAOVAT-ZZKXABKFSA-N	-1	0	287.319	2.875	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc(F)cc2)c1	ZINC000176822364	618206054	/nfs/dbraw/zinc/20/60/54/618206054.db2.gz	UPEZSTNTUWZMAZ-UHFFFAOYSA-N	-1	0	270.263	2.584	20	30		CFEDRM
CCOc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176827160	618207603	/nfs/dbraw/zinc/20/76/03/618207603.db2.gz	KMUDXOFECAKYFF-UHFFFAOYSA-N	-1	0	282.299	2.915	20	30		CFEDRM
CCOc1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176826820	618207747	/nfs/dbraw/zinc/20/77/47/618207747.db2.gz	YZVFFKRROAZDSQ-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
Cc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176832622	618207895	/nfs/dbraw/zinc/20/78/95/618207895.db2.gz	PMZNUJZXEVLYTN-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000176832749	618210292	/nfs/dbraw/zinc/21/02/92/618210292.db2.gz	BBNHHDSWAPEUCB-UHFFFAOYSA-N	-1	0	296.326	2.898	20	30		CFEDRM
Cc1ccc(F)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176833868	618210372	/nfs/dbraw/zinc/21/03/72/618210372.db2.gz	GILBLHFHBTZABH-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880237	618211785	/nfs/dbraw/zinc/21/17/85/618211785.db2.gz	JIKMQPFMIYLROI-NXEZZACHSA-N	-1	0	287.406	2.785	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C3CC3)o2)n1	ZINC000892417020	618234205	/nfs/dbraw/zinc/23/42/05/618234205.db2.gz	DVAWKCHELLSADP-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cn1	ZINC000176954300	618247055	/nfs/dbraw/zinc/24/70/55/618247055.db2.gz	SBFVAPUPYFJIIM-ZZXKWVIFSA-N	-1	0	272.304	2.771	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909423161	618247142	/nfs/dbraw/zinc/24/71/42/618247142.db2.gz	ISFWRRNMVJJSFX-YOEHRIQHSA-N	-1	0	287.359	2.799	20	30		CFEDRM
CCN(CC#N)Cc1cc(Br)cc(F)c1[O-]	ZINC000893969865	618256440	/nfs/dbraw/zinc/25/64/40/618256440.db2.gz	SJJBSVOLXFWJCK-UHFFFAOYSA-N	-1	0	287.132	2.639	20	30		CFEDRM
CCN(Cc1cc(F)cc(F)c1[O-])C[C@@H](C)C#N	ZINC000893995650	618262067	/nfs/dbraw/zinc/26/20/67/618262067.db2.gz	SIFVXCAUPYUIHW-VIFPVBQESA-N	-1	0	254.280	2.652	20	30		CFEDRM
Cc1nc(N2CCCC[C@H]2CC(=O)[O-])c(Cl)cc1C#N	ZINC000312498924	618298687	/nfs/dbraw/zinc/29/86/87/618298687.db2.gz	DQXMZYIKYZLXMS-NSHDSACASA-N	-1	0	293.754	2.749	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1	ZINC000184621359	618301880	/nfs/dbraw/zinc/30/18/80/618301880.db2.gz	JNWMSMYDVBLEHH-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(CCC)c(C)s1	ZINC000092462371	618343645	/nfs/dbraw/zinc/34/36/45/618343645.db2.gz	XFKLZBZIFNPLEN-UHFFFAOYSA-N	-1	0	281.377	2.722	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNC2CCC(F)(F)CC2)ccc1[O-]	ZINC000901345819	620797650	/nfs/dbraw/zinc/79/76/50/620797650.db2.gz	XATVEYAHCGCFIS-UHFFFAOYSA-N	-1	0	299.277	2.802	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000177189079	618368297	/nfs/dbraw/zinc/36/82/97/618368297.db2.gz	SQMPUGGKXNDNSQ-UHFFFAOYSA-N	-1	0	293.388	2.568	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909491326	618417866	/nfs/dbraw/zinc/41/78/66/618417866.db2.gz	GMVSLDUTMFMGOJ-LBPRGKRZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
COc1ccc(CNN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749857861	618443998	/nfs/dbraw/zinc/44/39/98/618443998.db2.gz	IJGCNEOIINWZID-UHFFFAOYSA-N	-1	0	292.285	2.803	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CSC[C@@H]1C	ZINC000794923314	618487493	/nfs/dbraw/zinc/48/74/93/618487493.db2.gz	ODCQWPVAAIIKMK-QMMMGPOBSA-N	-1	0	280.349	2.544	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCCCCCCC(=O)[O-]	ZINC000901433530	620819055	/nfs/dbraw/zinc/81/90/55/620819055.db2.gz	KXWUIHJVLAOZGL-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000311584355	618716391	/nfs/dbraw/zinc/71/63/91/618716391.db2.gz	XZLVOUMCVAXHNA-QWHCGFSZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nnc(C2CC2)o1	ZINC000194810819	618941794	/nfs/dbraw/zinc/94/17/94/618941794.db2.gz	ORCVFNCVOPJCRB-UHFFFAOYSA-N	-1	0	287.385	2.659	20	30		CFEDRM
CCOCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880248	619125251	/nfs/dbraw/zinc/12/52/51/619125251.db2.gz	IEHCIWJWBDQOFR-GFCCVEGCSA-N	-1	0	299.392	2.851	20	30		CFEDRM
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]S(C)(=O)=O)c1	ZINC000048480955	619343022	/nfs/dbraw/zinc/34/30/22/619343022.db2.gz	OMXYDKNVTZIKRB-LLVKDONJSA-N	-1	0	299.392	2.802	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccco1	ZINC000048518867	619348947	/nfs/dbraw/zinc/34/89/47/619348947.db2.gz	USZYVXFPFSCKNC-UHFFFAOYSA-N	-1	0	285.708	2.627	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1)C1CC1	ZINC000048519465	619349782	/nfs/dbraw/zinc/34/97/82/619349782.db2.gz	IZUGLMCARWPGGU-LUAWRHEFSA-N	-1	0	279.361	2.829	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519432	619349947	/nfs/dbraw/zinc/34/99/47/619349947.db2.gz	ODLNNPSLVOOGPD-JTQLQIEISA-N	-1	0	255.339	2.519	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519431	619349974	/nfs/dbraw/zinc/34/99/74/619349974.db2.gz	ODLNNPSLVOOGPD-SNVBAGLBSA-N	-1	0	255.339	2.519	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000909409527	619481857	/nfs/dbraw/zinc/48/18/57/619481857.db2.gz	UQQNJKCCCCFULH-XHSDSOJGSA-N	-1	0	299.370	2.758	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2ccccc2F)C1)C(=O)[O-]	ZINC000793071087	619506883	/nfs/dbraw/zinc/50/68/83/619506883.db2.gz	CHODYXJZFHSVEM-WCRCJTMVSA-N	-1	0	264.300	2.512	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000049135030	619534994	/nfs/dbraw/zinc/53/49/94/619534994.db2.gz	ZWYAZAVZWHCVQH-VIFPVBQESA-N	-1	0	285.340	2.907	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])CC1	ZINC000909529668	619630281	/nfs/dbraw/zinc/63/02/81/619630281.db2.gz	PFEDHXQUEHMCCO-BBRMVZONSA-N	-1	0	279.380	2.883	20	30		CFEDRM
N#CC[C@H](NCc1cccc(Cl)c1[O-])C(F)(F)F	ZINC000896698578	619793587	/nfs/dbraw/zinc/79/35/87/619793587.db2.gz	JLTCVAFWBDTCCQ-VIFPVBQESA-N	-1	0	278.661	2.980	20	30		CFEDRM
CC[C@@](C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840706812	619859363	/nfs/dbraw/zinc/85/93/63/619859363.db2.gz	KMKRJHKCNGCLRH-JGWKKKPCSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CCC[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840708460	619878184	/nfs/dbraw/zinc/87/81/84/619878184.db2.gz	XIMRFNFSZLLLNV-UGMNDJHYSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CO[C@@H]1COC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000840711037	619925390	/nfs/dbraw/zinc/92/53/90/619925390.db2.gz	OHSGNURGVHHREV-PTZTVNSVSA-N	-1	0	290.146	2.532	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909642308	620014342	/nfs/dbraw/zinc/01/43/42/620014342.db2.gz	GJKOIIVJTPRQIZ-AWEZNQCLSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-]	ZINC000909655962	620036577	/nfs/dbraw/zinc/03/65/77/620036577.db2.gz	NZUZNMNLMFSKHI-QWRGUYRKSA-N	-1	0	293.388	2.804	20	30		CFEDRM
O=C([O-])c1cccc(N=NC2CCC23CCOCC3)c1	ZINC000799864038	620124546	/nfs/dbraw/zinc/12/45/46/620124546.db2.gz	IZKLBJCMGUHERZ-UHFFFAOYSA-N	-1	0	274.320	2.743	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](SCC)C(C)C	ZINC000067600329	620186833	/nfs/dbraw/zinc/18/68/33/620186833.db2.gz	GEZGZEAMRWZYNO-SNVBAGLBSA-N	-1	0	281.443	2.851	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](c1ccncc1)C1CCCC1	ZINC000898281464	620364268	/nfs/dbraw/zinc/36/42/68/620364268.db2.gz	WYRRHNLWSGKSOD-HNNXBMFYSA-N	-1	0	274.364	2.979	20	30		CFEDRM
CC[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])C(F)F	ZINC000866364444	620392656	/nfs/dbraw/zinc/39/26/56/620392656.db2.gz	BQGMUPSFVHZHPH-KWQFWETISA-N	-1	0	254.280	2.958	20	30		CFEDRM
C=CC1(CC(=O)N2CCC(C(=O)[O-])CC2)CCCCC1	ZINC000899295448	620541082	/nfs/dbraw/zinc/54/10/82/620541082.db2.gz	MLDTYIVFKKXPJP-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1	ZINC000899298025	620542877	/nfs/dbraw/zinc/54/28/77/620542877.db2.gz	NNHBICHIYLBBSN-YPMHNXCESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(=O)OCC)c(C)c2)c1=O	ZINC000899356699	620549893	/nfs/dbraw/zinc/54/98/93/620549893.db2.gz	QLTQJVGVKLTNKA-HNNXBMFYSA-N	-1	0	298.342	2.534	20	30		CFEDRM
Cc1oc(/C=C/C(=O)c2cnn(C(C)C)c2)cc1C(=O)[O-]	ZINC000899350287	620550270	/nfs/dbraw/zinc/55/02/70/620550270.db2.gz	BPXFHUGWHJWJJV-SNAWJCMRSA-N	-1	0	288.303	2.960	20	30		CFEDRM
Cc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1CCC#N	ZINC000899366953	620555374	/nfs/dbraw/zinc/55/53/74/620555374.db2.gz	TUXHJCLWMNSWSJ-LLVKDONJSA-N	-1	0	269.295	2.702	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1cc(O)cc(F)c1	ZINC000899412508	620565369	/nfs/dbraw/zinc/56/53/69/620565369.db2.gz	IVWYLQMYIIVYOQ-PLNGDYQASA-N	-1	0	286.306	2.960	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1	ZINC000899767443	620598460	/nfs/dbraw/zinc/59/84/60/620598460.db2.gz	RMGHSGXYLBQGJU-JTQLQIEISA-N	-1	0	292.310	2.773	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899795364	620600906	/nfs/dbraw/zinc/60/09/06/620600906.db2.gz	ATFWZKMYHLXVFO-GFCCVEGCSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CC[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899814150	620602260	/nfs/dbraw/zinc/60/22/60/620602260.db2.gz	NAGDAPDXSGFKBD-GXTWGEPZSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)C1	ZINC000899827235	620604879	/nfs/dbraw/zinc/60/48/79/620604879.db2.gz	IVXZKINNXBWLED-CHWSQXEVSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])c1	ZINC000899854032	620606699	/nfs/dbraw/zinc/60/66/99/620606699.db2.gz	FKJWSYNPTKHVSS-GHMZBOCLSA-N	-1	0	277.320	2.536	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000901501246	620837715	/nfs/dbraw/zinc/83/77/15/620837715.db2.gz	DXSDOISOGJRABR-XQQFMLRXSA-N	-1	0	279.380	2.833	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1c([O-])cccc1F	ZINC000901560450	620857305	/nfs/dbraw/zinc/85/73/05/620857305.db2.gz	DUPYFOGVEIEDGO-BQYQJAHWSA-N	-1	0	286.306	2.960	20	30		CFEDRM
C=CCC[C@@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000901693486	620896883	/nfs/dbraw/zinc/89/68/83/620896883.db2.gz	VWKLINOTSYYXTQ-SNVBAGLBSA-N	-1	0	268.382	2.776	20	30		CFEDRM
N#Cc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1	ZINC000902416082	621070674	/nfs/dbraw/zinc/07/06/74/621070674.db2.gz	FRGJKTQCFHOBDF-UHFFFAOYSA-N	-1	0	286.331	2.922	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000902860455	621196288	/nfs/dbraw/zinc/19/62/88/621196288.db2.gz	MQNGCBCXJGAWRJ-CQSZACIVSA-N	-1	0	291.322	2.836	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(C#N)c1	ZINC000903409123	621363661	/nfs/dbraw/zinc/36/36/61/621363661.db2.gz	WCOSBYYVMGHMLO-ZWNOBZJWSA-N	-1	0	292.766	2.897	20	30		CFEDRM
N#CCCN(Cc1ccco1)Cc1ccc(C(=O)[O-])s1	ZINC000903670358	621413868	/nfs/dbraw/zinc/41/38/68/621413868.db2.gz	ZZRHMIWLYGITOH-UHFFFAOYSA-N	-1	0	290.344	2.955	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-]	ZINC000905015435	621681945	/nfs/dbraw/zinc/68/19/45/621681945.db2.gz	KSRXERCIWYECBY-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
CCC(CC)CNN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905462230	621778455	/nfs/dbraw/zinc/77/84/55/621778455.db2.gz	NEKVURPCCNGBKN-UHFFFAOYSA-N	-1	0	283.759	2.793	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCc1sccc1C)C(=O)[O-]	ZINC000905512340	621784139	/nfs/dbraw/zinc/78/41/39/621784139.db2.gz	KZRUFRBQNXVJMY-NSHDSACASA-N	-1	0	296.392	2.665	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905486027	621784601	/nfs/dbraw/zinc/78/46/01/621784601.db2.gz	JJQGLRAZZUEPKB-SECBINFHSA-N	-1	0	281.743	2.642	20	30		CFEDRM
CC(C)(CNc1ccc(Cl)c(C#N)n1)CC(=O)[O-]	ZINC000906148379	621939770	/nfs/dbraw/zinc/93/97/70/621939770.db2.gz	HCXCZASFCBYNAJ-UHFFFAOYSA-N	-1	0	267.716	2.519	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000907577645	622138136	/nfs/dbraw/zinc/13/81/36/622138136.db2.gz	UQXRGMHRJVRYMG-FZMZJTMJSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CC1(CC(=O)NC(C)(C)CC(=O)[O-])CCCCC1	ZINC000907580179	622139225	/nfs/dbraw/zinc/13/92/25/622139225.db2.gz	ZOBFPNFONJVBBB-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC1(CC(=O)N(C)C[C@H](C)C(=O)[O-])CCCCC1	ZINC000907586798	622140400	/nfs/dbraw/zinc/14/04/00/622140400.db2.gz	SUNPTHQSDOEIEW-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000907615662	622146513	/nfs/dbraw/zinc/14/65/13/622146513.db2.gz	LWMLCYAXVOJICP-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](C)[C@H](C)C(=O)[O-])CCCCC1	ZINC000907653149	622147391	/nfs/dbraw/zinc/14/73/91/622147391.db2.gz	QTUHMUFLHQLLQU-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000907661836	622148528	/nfs/dbraw/zinc/14/85/28/622148528.db2.gz	RUSSZTLMNMBXRJ-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](CC(F)F)C(=O)[O-])CCCCC1	ZINC000907671655	622149490	/nfs/dbraw/zinc/14/94/90/622149490.db2.gz	AWROWGBTPRTFGF-SNVBAGLBSA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000907682146	622151409	/nfs/dbraw/zinc/15/14/09/622151409.db2.gz	IZFSDQIIBHTXHO-RYUDHWBXSA-N	-1	0	255.358	2.546	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1ccc(C(=O)[O-])s1	ZINC000907684289	622151459	/nfs/dbraw/zinc/15/14/59/622151459.db2.gz	VPXMNMNAHWXGCL-SECBINFHSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000907687702	622152563	/nfs/dbraw/zinc/15/25/63/622152563.db2.gz	GPEQUWOMGALGRS-TUAOUCFPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908090119	622192315	/nfs/dbraw/zinc/19/23/15/622192315.db2.gz	QIGCDBSZTNRTQM-GFCCVEGCSA-N	-1	0	275.348	2.879	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908063637	622192754	/nfs/dbraw/zinc/19/27/54/622192754.db2.gz	PCJMWABYAJOORZ-MRXNPFEDSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000908220265	622203059	/nfs/dbraw/zinc/20/30/59/622203059.db2.gz	QGXMJSBQTZRHGM-BQYQJAHWSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000908216174	622205768	/nfs/dbraw/zinc/20/57/68/622205768.db2.gz	PWAOTVCZTMXMOW-KGLIPLIRSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000908253632	622208893	/nfs/dbraw/zinc/20/88/93/622208893.db2.gz	HNQJALWZFWAXFL-AWEZNQCLSA-N	-1	0	273.332	2.675	20	30		CFEDRM
C=CC[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000908585975	622249792	/nfs/dbraw/zinc/24/97/92/622249792.db2.gz	UKDGDIQZUBNTDC-HNNXBMFYSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C#Cc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1	ZINC000908707393	622266715	/nfs/dbraw/zinc/26/67/15/622266715.db2.gz	GRZPTBVGVYJFTB-UHFFFAOYSA-N	-1	0	283.327	2.642	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909084979	622308056	/nfs/dbraw/zinc/30/80/56/622308056.db2.gz	ZPNQHTWGGAKHGY-MRXNPFEDSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=CC[C@@H](C(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC000909180864	622322886	/nfs/dbraw/zinc/32/28/86/622322886.db2.gz	JBIDVSXMLJQIOE-CQSZACIVSA-N	-1	0	275.348	2.717	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)C1	ZINC000909249582	622332421	/nfs/dbraw/zinc/33/24/21/622332421.db2.gz	IJNMHYVFNNHZIG-CQSZACIVSA-N	-1	0	287.359	2.636	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909293541	622335958	/nfs/dbraw/zinc/33/59/58/622335958.db2.gz	AIEGIQDTMUTENM-ZDUSSCGKSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000909296962	622336418	/nfs/dbraw/zinc/33/64/18/622336418.db2.gz	RLHOLXMAVQDNKT-HNNXBMFYSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)CC1	ZINC000909684212	622340354	/nfs/dbraw/zinc/34/03/54/622340354.db2.gz	FEMUKUTVKKBGLT-HNNXBMFYSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909705646	622343263	/nfs/dbraw/zinc/34/32/63/622343263.db2.gz	XWKOBIDHVUVKOY-XJKSGUPXSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(Cl)cc1NC)C(=O)[O-]	ZINC000909712340	622343811	/nfs/dbraw/zinc/34/38/11/622343811.db2.gz	IWPSKTWZAGUPCC-NSHDSACASA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=CC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000909750788	622350493	/nfs/dbraw/zinc/35/04/93/622350493.db2.gz	GFZSEPNCQAJYEX-AWEZNQCLSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C#CCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000909832853	622358864	/nfs/dbraw/zinc/35/88/64/622358864.db2.gz	GUVGUZBHAFAOTG-LLVKDONJSA-N	-1	0	259.305	2.617	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000909868325	622362325	/nfs/dbraw/zinc/36/23/25/622362325.db2.gz	FPPYDSNQMVARCV-OCCSQVGLSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000909868324	622362491	/nfs/dbraw/zinc/36/24/91/622362491.db2.gz	FPPYDSNQMVARCV-JSGCOSHPSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC[C@H]1N(C(=O)[C@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000910024485	622387560	/nfs/dbraw/zinc/38/75/60/622387560.db2.gz	XULODGROCNATDS-VXGBXAGGSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)CCSCC(=O)[O-])CCCC1(C)C	ZINC000910023134	622387651	/nfs/dbraw/zinc/38/76/51/622387651.db2.gz	PUBPYQBIFUMJLF-LBPRGKRZSA-N	-1	0	299.436	2.788	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccc(C(C)(C)CC)cc1)C(=O)[O-]	ZINC000910050390	622396366	/nfs/dbraw/zinc/39/63/66/622396366.db2.gz	JJQYHABZSGVVQG-AWEZNQCLSA-N	-1	0	287.359	2.581	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000910154402	622407241	/nfs/dbraw/zinc/40/72/41/622407241.db2.gz	CRAGGGLALGAZEU-MRVPVSSYSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000910242445	622417532	/nfs/dbraw/zinc/41/75/32/622417532.db2.gz	QPXOKZGAJXSXQG-CYBMUJFWSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000910251807	622419526	/nfs/dbraw/zinc/41/95/26/622419526.db2.gz	YIIAPALKCKWUCJ-ZIAGYGMSSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC1(C)CCCC1)C(=O)[O-]	ZINC000910267742	622421495	/nfs/dbraw/zinc/42/14/95/622421495.db2.gz	UMWJHHVMQYYWPH-SNVBAGLBSA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910269420	622422228	/nfs/dbraw/zinc/42/22/28/622422228.db2.gz	AZYFWMGZYPGEKC-NWDGAFQWSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-]	ZINC000910291401	622429895	/nfs/dbraw/zinc/42/98/95/622429895.db2.gz	HXVNKZISZZUIBG-NSHDSACASA-N	-1	0	287.425	2.834	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-]	ZINC000910292469	622430088	/nfs/dbraw/zinc/43/00/88/622430088.db2.gz	PMGILEZJEDRWOE-RJCSOLBVSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000910292583	622430170	/nfs/dbraw/zinc/43/01/70/622430170.db2.gz	RNOPEDBZJLHUGA-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910294985	622430481	/nfs/dbraw/zinc/43/04/81/622430481.db2.gz	SRBOKEJSKTYHBP-OLZOCXBDSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NC1CC(C(=O)[O-])C1	ZINC000910338094	622432160	/nfs/dbraw/zinc/43/21/60/622432160.db2.gz	NXYCUGFBSJZDBY-UHFFFAOYSA-N	-1	0	291.372	2.558	20	30		CFEDRM
C#CCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC000910404536	622438982	/nfs/dbraw/zinc/43/89/82/622438982.db2.gz	WVGYHXCPQZCDLR-CYBMUJFWSA-N	-1	0	293.750	2.776	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1	ZINC000910504487	622452811	/nfs/dbraw/zinc/45/28/11/622452811.db2.gz	WISLAKFUGIRNHG-UHFFFAOYSA-N	-1	0	285.343	2.626	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(CC#N)cc1	ZINC000833455155	625568916	/nfs/dbraw/zinc/56/89/16/625568916.db2.gz	LFIBRNHPGNUCQR-UHFFFAOYSA-N	-1	0	289.331	2.687	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1sccc1CC)C(=O)[O-]	ZINC000910914297	622486406	/nfs/dbraw/zinc/48/64/06/622486406.db2.gz	ITYGMLDTQBXPHY-LLVKDONJSA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ncsc1C(C)C)C(=O)[O-]	ZINC000910916826	622486782	/nfs/dbraw/zinc/48/67/82/622486782.db2.gz	IVDPMSQBYNYAQY-SNVBAGLBSA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)ccc1C)C(=O)[O-]	ZINC000910918933	622487199	/nfs/dbraw/zinc/48/71/99/622487199.db2.gz	QRJRRYFFJPRBAO-AWEZNQCLSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/c1ccsc1)C(=O)[O-]	ZINC000910918780	622487271	/nfs/dbraw/zinc/48/72/71/622487271.db2.gz	PLSNULPQCSNGCJ-NNNHXZLVSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)CC(C)C)C(=O)[O-]	ZINC000910917802	622487405	/nfs/dbraw/zinc/48/74/05/622487405.db2.gz	VPFQZKXVWCZERC-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC000910921570	622487692	/nfs/dbraw/zinc/48/76/92/622487692.db2.gz	CFWMRNWHOAYALY-QMMMGPOBSA-N	-1	0	287.262	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(CC=C)CCC1)C(=O)[O-]	ZINC000910924685	622488410	/nfs/dbraw/zinc/48/84/10/622488410.db2.gz	CVXZCBJAWJAKIN-GFCCVEGCSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1occc1C(C)C)C(=O)[O-]	ZINC000910927232	622488870	/nfs/dbraw/zinc/48/88/70/622488870.db2.gz	YCBXFVVNARWPQP-LBPRGKRZSA-N	-1	0	279.336	2.942	20	30		CFEDRM
C=C1CCC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC1	ZINC000910992193	622496583	/nfs/dbraw/zinc/49/65/83/622496583.db2.gz	YEGZGCMOTBULFE-UHFFFAOYSA-N	-1	0	291.391	2.884	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)CCCC(=O)[O-]	ZINC000911401093	622519615	/nfs/dbraw/zinc/51/96/15/622519615.db2.gz	DRJKYQLVBAVZMC-UHFFFAOYSA-N	-1	0	261.321	2.999	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000911401627	622519655	/nfs/dbraw/zinc/51/96/55/622519655.db2.gz	LXWKQBUIEBQYRC-QWHCGFSZSA-N	-1	0	273.332	2.855	20	30		CFEDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C#N)cn1	ZINC000833906452	625580457	/nfs/dbraw/zinc/58/04/57/625580457.db2.gz	RSWILFWRYPLODB-UHFFFAOYSA-N	-1	0	296.286	2.604	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000821324912	622893951	/nfs/dbraw/zinc/89/39/51/622893951.db2.gz	YOHSCOICYXQSJB-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c(C)noc2C)c([O-])c1	ZINC000156616798	622951867	/nfs/dbraw/zinc/95/18/67/622951867.db2.gz	IVMFDQDPXCFNSD-VOTSOKGWSA-N	-1	0	273.288	2.902	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1C	ZINC000046929733	623104490	/nfs/dbraw/zinc/10/44/90/623104490.db2.gz	MNKVOAWKGVRAJR-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1cccs1	ZINC000046927872	623104495	/nfs/dbraw/zinc/10/44/95/623104495.db2.gz	CSHMERDFLLROOD-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(C)c1	ZINC000171480832	623225505	/nfs/dbraw/zinc/22/55/05/623225505.db2.gz	FHSWXQRJGWCJNB-ZDUSSCGKSA-N	-1	0	290.338	2.763	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2ccc(C#N)cc2F)C1	ZINC000062874832	623301998	/nfs/dbraw/zinc/30/19/98/623301998.db2.gz	PQPSFJXQDYCIIS-HNNXBMFYSA-N	-1	0	276.311	2.779	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000184761778	625645972	/nfs/dbraw/zinc/64/59/72/625645972.db2.gz	KVOFJAJVPDLHRV-DUXPYHPUSA-N	-1	0	284.271	2.900	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814906082	623482089	/nfs/dbraw/zinc/48/20/89/623482089.db2.gz	FDTKMLCZZYDKMA-CMPLNLGQSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)Nc1cccnc1Cl	ZINC000824661037	623540517	/nfs/dbraw/zinc/54/05/17/623540517.db2.gz	YTVZFTAGFIPXIF-JTQLQIEISA-N	-1	0	283.759	2.549	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]Oc2ccccc2F)CC2CCC1CC2	ZINC000913817706	623601309	/nfs/dbraw/zinc/60/13/09/623601309.db2.gz	AGLVHRJIWYVTQU-PPUFBPAQSA-N	-1	0	288.322	2.956	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccnc1	ZINC000916240955	624230091	/nfs/dbraw/zinc/23/00/91/624230091.db2.gz	YAUSCACMUKAEKV-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000916892082	624290822	/nfs/dbraw/zinc/29/08/22/624290822.db2.gz	AQBJFVDJKLGUEM-HNNXBMFYSA-N	-1	0	284.359	2.766	20	30		CFEDRM
C=CCn1c(=O)[nH]nc1SC1CC2(CCC2)C1	ZINC000917210009	624322438	/nfs/dbraw/zinc/32/24/38/624322438.db2.gz	PLTXAQMUDSHHNS-UHFFFAOYSA-N	-1	0	251.355	2.595	20	30		CFEDRM
COC(=O)[C@@H](C)/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000155071384	624607866	/nfs/dbraw/zinc/60/78/66/624607866.db2.gz	BNFZTKJOSZTKDG-DXOCJUPFSA-N	-1	0	276.119	2.679	20	30		CFEDRM
O=c1c2ccccc2ncn1N=Cc1ccc(O)c(Cl)c1	ZINC000921255913	624827183	/nfs/dbraw/zinc/82/71/83/624827183.db2.gz	GUHUMEFZUKUKGA-UHFFFAOYSA-N	-1	0	299.717	2.638	20	30		CFEDRM
CN(Cc1ccc(NCc2ccc(C#N)o2)cc1)C(=O)[O-]	ZINC000830840482	624897922	/nfs/dbraw/zinc/89/79/22/624897922.db2.gz	ODAYCNCJBMZMGW-UHFFFAOYSA-N	-1	0	285.303	2.873	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)C(=O)NCc2ccccc2)o1	ZINC000175102103	624926579	/nfs/dbraw/zinc/92/65/79/624926579.db2.gz	MECWAQBHTDNRRK-AWEZNQCLSA-N	-1	0	296.326	2.535	20	30		CFEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000070030834	625258295	/nfs/dbraw/zinc/25/82/95/625258295.db2.gz	QAOBGQSBCYIMEF-NSHDSACASA-N	-1	0	284.381	2.799	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccncc1	ZINC000182247832	625276794	/nfs/dbraw/zinc/27/67/94/625276794.db2.gz	INSLZXHYGOKZLS-DAFODLJHSA-N	-1	0	270.244	2.592	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N1CCOC[C@H]1C(=O)[O-]	ZINC000851598213	634449594	/nfs/dbraw/zinc/44/95/94/634449594.db2.gz	OCZGTHSNFCJKDQ-KGLIPLIRSA-N	-1	0	299.411	2.685	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000073087637	625772731	/nfs/dbraw/zinc/77/27/31/625772731.db2.gz	MQYHPZZOEXSZQO-GFCCVEGCSA-N	-1	0	298.408	2.612	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@@H]1Cc1ccc(Cl)cc1	ZINC000834982403	625945853	/nfs/dbraw/zinc/94/58/53/625945853.db2.gz	BGENOVDCVWVUHT-LLVKDONJSA-N	-1	0	280.755	2.713	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC23CCCC3)cn1	ZINC000835006815	625954286	/nfs/dbraw/zinc/95/42/86/625954286.db2.gz	KCGAQDNGAVOVEQ-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
CCOC(=O)C(C)(C)ON=C(C)c1cc(C(=O)[O-])cs1	ZINC000835007050	625954360	/nfs/dbraw/zinc/95/43/60/625954360.db2.gz	IZCCXAZMKKMCFQ-UHFFFAOYSA-N	-1	0	299.348	2.529	20	30		CFEDRM
C[C@@H](CCC#N)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009339	625955763	/nfs/dbraw/zinc/95/57/63/625955763.db2.gz	QOPLSTDXKHPZOT-VIFPVBQESA-N	-1	0	263.272	2.861	20	30		CFEDRM
CCSCCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835008968	625955828	/nfs/dbraw/zinc/95/58/28/625955828.db2.gz	LSXWGJSGBQCNHM-UHFFFAOYSA-N	-1	0	256.302	2.675	20	30		CFEDRM
CO[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C12CCC2	ZINC000835009361	625955965	/nfs/dbraw/zinc/95/59/65/625955965.db2.gz	RMWYWVLNJXIAMP-CYBMUJFWSA-N	-1	0	292.310	2.881	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccccc2F)CC[C@H]1C(=O)[O-]	ZINC000835011775	625958067	/nfs/dbraw/zinc/95/80/67/625958067.db2.gz	TWENAHMVFJVYRR-ZWNOBZJWSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(C)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814892638	625965115	/nfs/dbraw/zinc/96/51/15/625965115.db2.gz	ZBFYONGTRBSCBQ-MNOVXSKESA-N	-1	0	254.374	2.745	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCOC1(C)C	ZINC000835022287	625968443	/nfs/dbraw/zinc/96/84/43/625968443.db2.gz	YZZLEHXJYJRDBV-CYBMUJFWSA-N	-1	0	284.400	2.945	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1OC	ZINC000073837746	626396134	/nfs/dbraw/zinc/39/61/34/626396134.db2.gz	GFMOBCIBJRVJAZ-UHFFFAOYSA-N	-1	0	285.365	2.518	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](OC)c1ccccc1	ZINC000073838436	626396236	/nfs/dbraw/zinc/39/62/36/626396236.db2.gz	BWMCOFORHWPQGF-CYBMUJFWSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000923057842	626448100	/nfs/dbraw/zinc/44/81/00/626448100.db2.gz	IVBQCYIFZJDHOM-PPYMECGQSA-N	-1	0	272.304	2.663	20	30		CFEDRM
N#C[C@@]1(C(=O)NCCCCCCC(=O)[O-])CC12CCCC2	ZINC000923062721	626448249	/nfs/dbraw/zinc/44/82/49/626448249.db2.gz	QAXCFWOKAZYUOO-MRXNPFEDSA-N	-1	0	292.379	2.612	20	30		CFEDRM
N#C[C@]1(C(=O)Nc2cccc(CC(=O)[O-])c2)CC12CCCC2	ZINC000923067247	626448839	/nfs/dbraw/zinc/44/88/39/626448839.db2.gz	UHBDPIYWWOGEND-KRWDZBQOSA-N	-1	0	298.342	2.726	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000923075098	626449020	/nfs/dbraw/zinc/44/90/20/626449020.db2.gz	HWTWEQJSYMUICO-MEDUHNTESA-N	-1	0	288.347	2.828	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923097631	626450981	/nfs/dbraw/zinc/45/09/81/626450981.db2.gz	KXBZVTJVFDMCAE-GFCCVEGCSA-N	-1	0	266.322	2.633	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000923104198	626451401	/nfs/dbraw/zinc/45/14/01/626451401.db2.gz	TUKDRZCJIUSITA-BDJLRTHQSA-N	-1	0	286.331	2.531	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923104604	626451664	/nfs/dbraw/zinc/45/16/64/626451664.db2.gz	QUIVAAOWEJOTGY-FQUUOJAGSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-])OCC	ZINC000923190307	626455904	/nfs/dbraw/zinc/45/59/04/626455904.db2.gz	NHBGTGKVZAXLON-BBRMVZONSA-N	-1	0	299.411	2.611	20	30		CFEDRM
CC(C)C[C@@](C)(CNC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000923192186	626455933	/nfs/dbraw/zinc/45/59/33/626455933.db2.gz	JFFHXPSVWTYADS-HNNXBMFYSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CC(C)C[C@](C)(CNC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000923192188	626455936	/nfs/dbraw/zinc/45/59/36/626455936.db2.gz	JFFHXPSVWTYADS-OAHLLOKOSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2nc(=O)c3sccc3[n-]2)c1	ZINC000103146804	626501503	/nfs/dbraw/zinc/50/15/03/626501503.db2.gz	LLFLAGQCXYSIIB-UHFFFAOYSA-N	-1	0	295.367	2.602	20	30		CFEDRM
COC(=O)c1occc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000757467748	626552920	/nfs/dbraw/zinc/55/29/20/626552920.db2.gz	JMJYSLCKNUIQBR-RQOWECAXSA-N	-1	0	290.246	2.807	20	30		CFEDRM
COc1c(O)cccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000757473338	626553223	/nfs/dbraw/zinc/55/32/23/626553223.db2.gz	WBEVGALNTLKWRK-VMPITWQZSA-N	-1	0	286.283	2.708	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000757476852	626553319	/nfs/dbraw/zinc/55/33/19/626553319.db2.gz	UVBOZLITMUKDQJ-ONEGZZNKSA-N	-1	0	278.258	2.783	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H](C(C)C)[C@@H](C)C2)[n-]c1=O	ZINC000758095769	626576290	/nfs/dbraw/zinc/57/62/90/626576290.db2.gz	KZCJNPCZICLPDJ-JOYOIKCWSA-N	-1	0	277.372	2.746	20	30		CFEDRM
CC(=NNc1ccccn1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758095392	626576307	/nfs/dbraw/zinc/57/63/07/626576307.db2.gz	KIQFTMGSAHBWTN-UHFFFAOYSA-N	-1	0	272.264	2.532	20	30		CFEDRM
O=C(/C=C\c1cncs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759089091	626627741	/nfs/dbraw/zinc/62/77/41/626627741.db2.gz	FWCGFEWFFBHCPF-RQOWECAXSA-N	-1	0	276.273	2.653	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc(Cl)cs1	ZINC000759440347	626659071	/nfs/dbraw/zinc/65/90/71/626659071.db2.gz	IBDVHCWRTYMLEM-JTQLQIEISA-N	-1	0	296.779	2.783	20	30		CFEDRM
N#CC(=C([O-])C=CSc1ccccc1)c1ccncn1	ZINC000760337720	626736493	/nfs/dbraw/zinc/73/64/93/626736493.db2.gz	BHUKNMBPQAYMBD-XOVSCCBYSA-N	-1	0	281.340	2.959	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc2sccc2c1	ZINC000761037723	626792928	/nfs/dbraw/zinc/79/29/28/626792928.db2.gz	NVNYKWYWEPVFPG-GFCCVEGCSA-N	-1	0	284.340	2.526	20	30		CFEDRM
CC(C)CN(CCC#N)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000762584971	626924772	/nfs/dbraw/zinc/92/47/72/626924772.db2.gz	RIPQNYJDMVKWGE-UHFFFAOYSA-N	-1	0	282.290	2.682	20	30		CFEDRM
Cc1nnc(NN=C2C[C@H]3CCCc4cccc2c43)[n-]c1=O	ZINC000763344707	626982014	/nfs/dbraw/zinc/98/20/14/626982014.db2.gz	DARBOQDTBRQCJC-LLVKDONJSA-N	-1	0	295.346	2.525	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCOc3ccccc32)nc1	ZINC000763367232	626983075	/nfs/dbraw/zinc/98/30/75/626983075.db2.gz	AUUICMCTUZFESR-UHFFFAOYSA-N	-1	0	297.314	2.769	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(Cl)s2)nc1	ZINC000763369029	626983135	/nfs/dbraw/zinc/98/31/35/626983135.db2.gz	SPNTXNMVSSFBMN-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(C(F)F)C1	ZINC000766025834	627172112	/nfs/dbraw/zinc/17/21/12/627172112.db2.gz	USJXLIKTBYJRGZ-UHFFFAOYSA-N	-1	0	284.262	2.836	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)CCC#N	ZINC000766029344	627172807	/nfs/dbraw/zinc/17/28/07/627172807.db2.gz	KOJXBKKKIDLPCQ-SNVBAGLBSA-N	-1	0	275.308	2.731	20	30		CFEDRM
CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000767100373	627235217	/nfs/dbraw/zinc/23/52/17/627235217.db2.gz	AMZDELKMAZCIGC-WHFBIAKZSA-N	-1	0	283.187	2.980	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cccc3nccn32)s1	ZINC000769606193	627460687	/nfs/dbraw/zinc/46/06/87/627460687.db2.gz	BXFRCWWQQXPALM-PLNGDYQASA-N	-1	0	298.323	2.990	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862386	627552031	/nfs/dbraw/zinc/55/20/31/627552031.db2.gz	MNGRWDBXZAGBOV-FRRDWIJNSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862389	627552319	/nfs/dbraw/zinc/55/23/19/627552319.db2.gz	MNGRWDBXZAGBOV-JHJVBQTASA-N	-1	0	287.363	2.528	20	30		CFEDRM
COC(=O)c1coc(/C=C/C(=O)c2cc(F)ccc2[O-])c1	ZINC000774135744	627892886	/nfs/dbraw/zinc/89/28/86/627892886.db2.gz	NIIWLIAIWQUJAJ-HWKANZROSA-N	-1	0	290.246	2.807	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000774143889	627893176	/nfs/dbraw/zinc/89/31/76/627893176.db2.gz	YJCHFNBMQMYYOS-AATRIKPKSA-N	-1	0	267.284	2.984	20	30		CFEDRM
CO[C@@H]1CCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000774543017	627936531	/nfs/dbraw/zinc/93/65/31/627936531.db2.gz	UEZHPRNPTFBOFA-MRVDTOTRSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CC(=NOC1CCCC1)c1cccc(OCC(=O)[O-])c1	ZINC000774609004	627941594	/nfs/dbraw/zinc/94/15/94/627941594.db2.gz	QPIXEBAWPAVDIX-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
N#CCN(C(=O)c1cccc(Cl)c1[O-])C1CCCC1	ZINC000775753896	628062441	/nfs/dbraw/zinc/06/24/41/628062441.db2.gz	OSWUQLTWHBKOKG-UHFFFAOYSA-N	-1	0	278.739	2.954	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cscn1	ZINC000776192365	628114594	/nfs/dbraw/zinc/11/45/94/628114594.db2.gz	PMSLDVDOMLICND-DUXPYHPUSA-N	-1	0	276.273	2.653	20	30		CFEDRM
Cc1ncsc1C=CC(=O)[C@@H](C#N)c1cc(C)nc(C)n1	ZINC000777292028	628212245	/nfs/dbraw/zinc/21/22/45/628212245.db2.gz	DXJNZMIOLZLORI-ITKZLYELSA-N	-1	0	298.371	2.748	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1	ZINC000777468798	628228807	/nfs/dbraw/zinc/22/88/07/628228807.db2.gz	WOJWVZAVUOGFPE-XVNBXDOJSA-N	-1	0	285.274	2.744	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2cc(Cl)ccn2)c1	ZINC000777914109	628264390	/nfs/dbraw/zinc/26/43/90/628264390.db2.gz	XCBSXTCBDJWVGH-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000781431529	628548397	/nfs/dbraw/zinc/54/83/97/628548397.db2.gz	WSVQONKIMLEGIM-UHFFFAOYSA-N	-1	0	259.305	2.727	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cncc(F)c2)c1	ZINC000782200384	628613916	/nfs/dbraw/zinc/61/39/16/628613916.db2.gz	LTBOYVPXUYIJGH-OWOJBTEDSA-N	-1	0	277.276	2.877	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@@]1(C)CCCO1	ZINC000782254639	628620195	/nfs/dbraw/zinc/62/01/95/628620195.db2.gz	ORUDXJUSHFHZSM-OAHLLOKOSA-N	-1	0	292.335	2.750	20	30		CFEDRM
CC(C)[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000782946410	628665151	/nfs/dbraw/zinc/66/51/51/628665151.db2.gz	QUDGQYCRWKKISS-RXMQYKEDSA-N	-1	0	283.187	2.980	20	30		CFEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)sn1	ZINC000785451043	628884434	/nfs/dbraw/zinc/88/44/34/628884434.db2.gz	LVRGQWDRBGNXRR-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)co1	ZINC000787066253	628991017	/nfs/dbraw/zinc/99/10/17/628991017.db2.gz	COQZDHPXBPNJQE-HNNXBMFYSA-N	-1	0	296.326	2.569	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NNC2CCCC2)c2ccccc21	ZINC000789004179	629116336	/nfs/dbraw/zinc/11/63/36/629116336.db2.gz	OXZTVWYHTMVNAK-CQSZACIVSA-N	-1	0	272.348	2.885	20	30		CFEDRM
CSCCON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000789053721	629120999	/nfs/dbraw/zinc/12/09/99/629120999.db2.gz	CDSXYHKJDHXXBN-GFCCVEGCSA-N	-1	0	279.361	2.732	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNCCc1ccncc1	ZINC000789096671	629126272	/nfs/dbraw/zinc/12/62/72/629126272.db2.gz	GKIIDQUMHKQRGI-UHFFFAOYSA-N	-1	0	293.729	2.746	20	30		CFEDRM
COCC(=NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000790141586	629213148	/nfs/dbraw/zinc/21/31/48/629213148.db2.gz	OQRMBSGWFIOJJD-UHFFFAOYSA-N	-1	0	284.315	2.847	20	30		CFEDRM
Cc1sccc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000835063394	629366879	/nfs/dbraw/zinc/36/68/79/629366879.db2.gz	KVBDOUHBPAGYFJ-ZDUSSCGKSA-N	-1	0	290.388	2.828	20	30		CFEDRM
C#CCN(CC#CC)Cc1c([O-])ccc(Cl)c1F	ZINC000792165859	629403929	/nfs/dbraw/zinc/40/39/29/629403929.db2.gz	LQMHMPUXWMDLEP-UHFFFAOYSA-N	-1	0	265.715	2.643	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000792515828	629429455	/nfs/dbraw/zinc/42/94/55/629429455.db2.gz	CHIQNVFRZSLKGE-SECBINFHSA-N	-1	0	269.703	2.716	20	30		CFEDRM
CC[C@@H](NN=C[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000793055764	629480779	/nfs/dbraw/zinc/48/07/79/629480779.db2.gz	BXVFBZHMJQEKGZ-GXTWGEPZSA-N	-1	0	260.337	2.545	20	30		CFEDRM
CC[C@H](NN=C[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000793055766	629480855	/nfs/dbraw/zinc/48/08/55/629480855.db2.gz	BXVFBZHMJQEKGZ-JSGCOSHPSA-N	-1	0	260.337	2.545	20	30		CFEDRM
CCO[C@H]1CC(=NN[C@@H](CC)C(=O)[O-])C12CCCCC2	ZINC000793059136	629481648	/nfs/dbraw/zinc/48/16/48/629481648.db2.gz	YODJVFZYPQWNGU-AAEUAGOBSA-N	-1	0	282.384	2.555	20	30		CFEDRM
CC[C@H](NN=C1CCSc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793058360	629481683	/nfs/dbraw/zinc/48/16/83/629481683.db2.gz	TYFSVGPHSAMFLT-JTQLQIEISA-N	-1	0	298.795	2.993	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](c2ccccc2)[C@@H]1C)C(=O)[O-]	ZINC000793070477	629481947	/nfs/dbraw/zinc/48/19/47/629481947.db2.gz	BKQNRKHWSKCFNF-DRZSPHRISA-N	-1	0	260.337	2.619	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)C(=NN[C@H](CC)C(=O)[O-])C1	ZINC000793070545	629482091	/nfs/dbraw/zinc/48/20/91/629482091.db2.gz	CIIXTXKBFBWLRD-NWDGAFQWSA-N	-1	0	250.342	2.728	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(C)(C)C)s1)C(=O)[O-]	ZINC000793072261	629482184	/nfs/dbraw/zinc/48/21/84/629482184.db2.gz	MQZIHRJGCOJBIG-SNVBAGLBSA-N	-1	0	268.382	2.832	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H](Oc2ccccc2)C1(C)C)C(=O)[O-]	ZINC000793070903	629482833	/nfs/dbraw/zinc/48/28/33/629482833.db2.gz	FYEHZHBCNQVEER-OCCSQVGLSA-N	-1	0	290.363	2.673	20	30		CFEDRM
CC[C@H](NN=Cc1ncc(-c2ccccc2)s1)C(=O)[O-]	ZINC000793071819	629482855	/nfs/dbraw/zinc/48/28/55/629482855.db2.gz	HHCQAMRYHGIWPO-NSHDSACASA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@@H](NN=C(CC(C)C)c1ccccc1)C(=O)[O-]	ZINC000793071435	629483081	/nfs/dbraw/zinc/48/30/81/629483081.db2.gz	FNLRGPBAOVQMHL-CYBMUJFWSA-N	-1	0	262.353	2.890	20	30		CFEDRM
CCOc1ccc(Cl)cc1C(C)=NN[C@@H](CC)C(=O)[O-]	ZINC000793074036	629483507	/nfs/dbraw/zinc/48/35/07/629483507.db2.gz	ZUYFWIXOPOLKNW-LBPRGKRZSA-N	-1	0	298.770	2.916	20	30		CFEDRM
CC[C@@H](NN=CC1CCC(C(C)C)CC1)C(=O)[O-]	ZINC000793073982	629483742	/nfs/dbraw/zinc/48/37/42/629483742.db2.gz	YPIAYIYCLBFHIE-WXRRBKDZSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1cc(Cl)ccc1OC	ZINC000793072961	629483790	/nfs/dbraw/zinc/48/37/90/629483790.db2.gz	XBCJNVCSDIHBOY-GFCCVEGCSA-N	-1	0	298.770	2.916	20	30		CFEDRM
CC[C@H](NN=C(Cc1cccc(C)c1)C1CC1)C(=O)[O-]	ZINC000793073464	629483852	/nfs/dbraw/zinc/48/38/52/629483852.db2.gz	WAQZDJSPXIWMEX-AWEZNQCLSA-N	-1	0	274.364	2.756	20	30		CFEDRM
CC[C@H](NN=C1CCC(C(F)(F)F)CC1)C(=O)[O-]	ZINC000793077771	629484067	/nfs/dbraw/zinc/48/40/67/629484067.db2.gz	IFCBTAOCUVDPNB-NETXQHHPSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](C)c2ccccc21)C(=O)[O-]	ZINC000793077926	629484273	/nfs/dbraw/zinc/48/42/73/629484273.db2.gz	KBGAFSZVURZKJH-GWCFXTLKSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@@H](C)c2ccccc21)C(=O)[O-]	ZINC000793077932	629484333	/nfs/dbraw/zinc/48/43/33/629484333.db2.gz	KBGAFSZVURZKJH-ZWNOBZJWSA-N	-1	0	260.337	2.741	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H]2CCCc3cccc1c32)C(=O)[O-]	ZINC000793080435	629485173	/nfs/dbraw/zinc/48/51/73/629485173.db2.gz	YYUCDIVBPFBMSF-AAEUAGOBSA-N	-1	0	272.348	2.667	20	30		CFEDRM
CC[C@H](NN=C1CCCOc2c(C)cc(C)cc21)C(=O)[O-]	ZINC000793081480	629485257	/nfs/dbraw/zinc/48/52/57/629485257.db2.gz	LDCRCKFVHOLWEP-ZDUSSCGKSA-N	-1	0	290.363	2.633	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(OCC(=O)[O-])c(OC)c1	ZINC000793143828	629492299	/nfs/dbraw/zinc/49/22/99/629492299.db2.gz	ADRUHSGHLWFTAW-NSHDSACASA-N	-1	0	295.335	2.555	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2cccc(Cl)n2)cc1	ZINC000793174006	629498553	/nfs/dbraw/zinc/49/85/53/629498553.db2.gz	GVJSPNPLMDPIBM-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OC/C=C/Cl	ZINC000794294403	629632680	/nfs/dbraw/zinc/63/26/80/629632680.db2.gz	FVVIIUIMZPCUFA-QGQQYVBWSA-N	-1	0	278.739	2.559	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cnn3ccccc23)c1	ZINC000794677223	629673978	/nfs/dbraw/zinc/67/39/78/629673978.db2.gz	SUDGLXWKSJWUMQ-PXNMLYILSA-N	-1	0	296.286	2.567	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc3occc3c2)nc1	ZINC000794924231	629704785	/nfs/dbraw/zinc/70/47/85/629704785.db2.gz	WXZIZVSLSIZIOB-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
Cc1cccnc1N=NCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000794939424	629707768	/nfs/dbraw/zinc/70/77/68/629707768.db2.gz	IJUIYJLPDXFNPZ-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1cccc(C(=O)[O-])c1	ZINC000794980364	629715877	/nfs/dbraw/zinc/71/58/77/629715877.db2.gz	JYPOUUIRPPDWIY-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1ccc(C(=O)[O-])c(F)c1	ZINC000794983858	629717020	/nfs/dbraw/zinc/71/70/20/629717020.db2.gz	FVXUALXBGJODTJ-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(C3CCC3)CCC2)CC1	ZINC000835449836	629732589	/nfs/dbraw/zinc/73/25/89/629732589.db2.gz	SIPPQFCWYVQZQS-UHFFFAOYSA-N	-1	0	297.420	2.512	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000796698013	629952189	/nfs/dbraw/zinc/95/21/89/629952189.db2.gz	RLAWPYJZLVPKRC-BENRWUELSA-N	-1	0	293.388	2.706	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc2ccc(CC)cc12	ZINC000796798685	629969203	/nfs/dbraw/zinc/96/92/03/629969203.db2.gz	NLWRAUZOXPHTSI-ZDUSSCGKSA-N	-1	0	296.326	2.620	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CC	ZINC000797549338	630078811	/nfs/dbraw/zinc/07/88/11/630078811.db2.gz	ZANKRVZVBCJJNX-CYBMUJFWSA-N	-1	0	290.363	2.861	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccccc1CCC	ZINC000835829989	630093269	/nfs/dbraw/zinc/09/32/69/630093269.db2.gz	USXSPGXZBUXBMT-UHFFFAOYSA-N	-1	0	295.404	2.800	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C)cc2c1	ZINC000797736800	630098595	/nfs/dbraw/zinc/09/85/95/630098595.db2.gz	FEEWAIGSSSSAJB-UHFFFAOYSA-N	-1	0	287.319	2.581	20	30		CFEDRM
C#Cc1cncc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000798169616	630159124	/nfs/dbraw/zinc/15/91/24/630159124.db2.gz	AXZZJRVQRFKTAO-UHFFFAOYSA-N	-1	0	272.691	2.674	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000835948941	630170696	/nfs/dbraw/zinc/17/06/96/630170696.db2.gz	REISFFXBONSKCT-UHFFFAOYSA-N	-1	0	299.436	2.781	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C2CCC2)c1	ZINC000798817526	630241819	/nfs/dbraw/zinc/24/18/19/630241819.db2.gz	YXSSXFGDMOPQQJ-OAHLLOKOSA-N	-1	0	284.359	2.801	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cnoc1C	ZINC000799464937	630310831	/nfs/dbraw/zinc/31/08/31/630310831.db2.gz	SLYGQSRAMVWXTF-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
COc1cc(C=NNc2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000799464903	630311115	/nfs/dbraw/zinc/31/11/15/630311115.db2.gz	QLKLDAFTEWCZPD-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
COc1cccc(C=NNc2ccccc2C(=O)[O-])c1F	ZINC000799873559	630350123	/nfs/dbraw/zinc/35/01/23/630350123.db2.gz	SRNZBSXSHZAVST-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
Cc1[nH]c(CN=Nc2ncccc2Cl)cc1C(=O)[O-]	ZINC000800810857	630406788	/nfs/dbraw/zinc/40/67/88/630406788.db2.gz	XKTWBHZBKINGGK-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
CCc1nc2ccccc2n1N=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800809515	630406827	/nfs/dbraw/zinc/40/68/27/630406827.db2.gz	AILVVQVOBXJEEJ-UHFFFAOYSA-N	-1	0	296.330	2.816	20	30		CFEDRM
Cc1[nH]c(C=NNc2cc(F)cc(F)c2)cc1C(=O)[O-]	ZINC000800811535	630406901	/nfs/dbraw/zinc/40/69/01/630406901.db2.gz	YHGYDBFRHWTYBX-UHFFFAOYSA-N	-1	0	279.246	2.746	20	30		CFEDRM
COc1ccccc1CON=Cc1cc(C(=O)[O-])c(C)[nH]1	ZINC000800817485	630408453	/nfs/dbraw/zinc/40/84/53/630408453.db2.gz	NPGFGUBCXVRSOK-UHFFFAOYSA-N	-1	0	288.303	2.581	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)ccc1F	ZINC000103640246	630429478	/nfs/dbraw/zinc/42/94/78/630429478.db2.gz	QEWNVFAZLVNOOG-CYBMUJFWSA-N	-1	0	288.322	2.515	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806562720	630812400	/nfs/dbraw/zinc/81/24/00/630812400.db2.gz	OFKAWUFRXCQVTR-USYSOWRXSA-N	-1	0	296.326	2.865	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C1/C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806562714	630812764	/nfs/dbraw/zinc/81/27/64/630812764.db2.gz	OFKAWUFRXCQVTR-OCOPJHETSA-N	-1	0	296.326	2.865	20	30		CFEDRM
CC(C)(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807839525	630912831	/nfs/dbraw/zinc/91/28/31/630912831.db2.gz	GWJHOVPLMHDTKK-UHFFFAOYSA-N	-1	0	287.146	2.865	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cn2c(n1)CCCC2	ZINC000807944354	630924332	/nfs/dbraw/zinc/92/43/32/630924332.db2.gz	XNKKWGJOFZECPC-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000837044150	630943539	/nfs/dbraw/zinc/94/35/39/630943539.db2.gz	JBPMLCNADPWGJG-GFCCVEGCSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=CCO[N-]C(=O)COc1ccccc1[C@H](C)CC	ZINC000837042709	630943592	/nfs/dbraw/zinc/94/35/92/630943592.db2.gz	DIOSLBQBQQWRHS-GFCCVEGCSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](Oc1cccc(Cl)c1)C(C)C	ZINC000837047765	630945152	/nfs/dbraw/zinc/94/51/52/630945152.db2.gz	LKCZOCWEWBLKEK-CYBMUJFWSA-N	-1	0	283.755	2.977	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](OC(C)(C)C)c1ccccc1	ZINC000837047879	630945177	/nfs/dbraw/zinc/94/51/77/630945177.db2.gz	MKUCDPHAYBRZIS-ZDUSSCGKSA-N	-1	0	263.337	2.777	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F	ZINC000837046820	630945329	/nfs/dbraw/zinc/94/53/29/630945329.db2.gz	PMQPRTCPMALHMD-SECBINFHSA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)Oc1cccc(Cl)c1	ZINC000837046802	630945603	/nfs/dbraw/zinc/94/56/03/630945603.db2.gz	OUEBRMIDQPXDCR-UHFFFAOYSA-N	-1	0	269.728	2.731	20	30		CFEDRM
O=C([O-])c1cc(C=C2C(=O)c3ccccc3C2=O)ccc1O	ZINC000809152188	631089838	/nfs/dbraw/zinc/08/98/38/631089838.db2.gz	OFONZRQUFWZWFX-UHFFFAOYSA-N	-1	0	294.262	2.553	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C#CC(C)(C)C)c1	ZINC000837661965	631100666	/nfs/dbraw/zinc/10/06/66/631100666.db2.gz	GRFWCTDONPAHRP-UHFFFAOYSA-N	-1	0	273.332	2.973	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1CCCC1	ZINC000042250909	649997191	/nfs/dbraw/zinc/99/71/91/649997191.db2.gz	XTVDHFQXEQEYHI-UHFFFAOYSA-N	-1	0	271.313	2.661	20	30		CFEDRM
CO[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000840707042	631175379	/nfs/dbraw/zinc/17/53/79/631175379.db2.gz	RHFVATCOSRUHEZ-FCGPPKDQSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C[C@@H]1CC[C@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1	ZINC000840708906	631175638	/nfs/dbraw/zinc/17/56/38/631175638.db2.gz	FRSKWHGVMDBDPD-XGYWNSKWSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc(C2CCC2)cs1	ZINC000840948043	631277769	/nfs/dbraw/zinc/27/77/69/631277769.db2.gz	PMTMDVLBRIWNOI-UHFFFAOYSA-N	-1	0	284.406	2.566	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1c[nH]c2ccccc12	ZINC000042344098	649998221	/nfs/dbraw/zinc/99/82/21/649998221.db2.gz	JAMSRXGPXUMLMO-UHFFFAOYSA-N	-1	0	294.376	2.797	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C(F)(F)F)c(C)c1)C(=O)[O-]	ZINC000841642319	631442263	/nfs/dbraw/zinc/44/22/63/631442263.db2.gz	NLCLMEFQHVXALB-LLVKDONJSA-N	-1	0	288.269	2.801	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C)CC1	ZINC000810985429	631491138	/nfs/dbraw/zinc/49/11/38/631491138.db2.gz	LLXPJDGXJFHLAW-UHFFFAOYSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCCCCC2)CC1	ZINC000810986451	631491503	/nfs/dbraw/zinc/49/15/03/631491503.db2.gz	ADWWUXIXYKZJGN-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
CC(C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000811381900	631557304	/nfs/dbraw/zinc/55/73/04/631557304.db2.gz	SJXBECVVLQQGBI-WHFBIAKZSA-N	-1	0	269.160	2.590	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)c2ccccc12	ZINC000842289186	631579867	/nfs/dbraw/zinc/57/98/67/631579867.db2.gz	OKVVJEITZOKCPN-MRXNPFEDSA-N	-1	0	294.354	2.995	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2=NNCC(F)F	ZINC000811643133	631590530	/nfs/dbraw/zinc/59/05/30/631590530.db2.gz	UOZHTZGXNNPFHY-UHFFFAOYSA-N	-1	0	282.290	2.670	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000113650200	635643657	/nfs/dbraw/zinc/64/36/57/635643657.db2.gz	XGTMEXNAJIJRGL-NWDGAFQWSA-N	-1	0	255.358	2.716	20	30		CFEDRM
COc1ccc([O-])c(C(=O)/C=C\c2nc(C#N)cs2)c1	ZINC000811694247	631606900	/nfs/dbraw/zinc/60/69/00/631606900.db2.gz	UNVBGDMBVVHJPO-PLNGDYQASA-N	-1	0	286.312	2.625	20	30		CFEDRM
CC[C@@H](NN=C1CCCc2ccc(SC)cc21)C(=O)[O-]	ZINC000842533654	631654991	/nfs/dbraw/zinc/65/49/91/631654991.db2.gz	UEBKBQRLAPTWDU-CYBMUJFWSA-N	-1	0	292.404	2.902	20	30		CFEDRM
C[C@H]1C(=NNC23CC(C2)C3)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000842544156	631660478	/nfs/dbraw/zinc/66/04/78/631660478.db2.gz	PRHQOJPUOVYIOD-PAPNWUEJSA-N	-1	0	264.369	2.641	20	30		CFEDRM
CC(=NOCCOC(C)C)c1ccc(C(=O)[O-])cc1	ZINC000812237467	631674478	/nfs/dbraw/zinc/67/44/78/631674478.db2.gz	BKZQRLFDJYCELW-UHFFFAOYSA-N	-1	0	265.309	2.550	20	30		CFEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OC/C=C/Cl)CC2)c1	ZINC000812403599	631704096	/nfs/dbraw/zinc/70/40/96/631704096.db2.gz	TUQOXJIHBFZSNL-DAFODLJHSA-N	-1	0	294.713	2.529	20	30		CFEDRM
COc1cccc(O)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000812486192	631725315	/nfs/dbraw/zinc/72/53/15/631725315.db2.gz	GUAUOSARCRKGTB-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
Cc1nn(C)c(Cl)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000812486095	631725320	/nfs/dbraw/zinc/72/53/20/631725320.db2.gz	DHNDHFKYZSQOED-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])nc1	ZINC000812709030	631762469	/nfs/dbraw/zinc/76/24/69/631762469.db2.gz	WNCZVRSDWRMBCG-UHFFFAOYSA-N	-1	0	294.310	2.614	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)c1ccc2ccccc2c1	ZINC000812784673	631774378	/nfs/dbraw/zinc/77/43/78/631774378.db2.gz	BRHLADGHDRZUHS-GFCCVEGCSA-N	-1	0	253.301	2.624	20	30		CFEDRM
CC(C)(C(=O)[N-]OC1CCC1)c1cc(F)cc(C#N)c1	ZINC000812788778	631776424	/nfs/dbraw/zinc/77/64/24/631776424.db2.gz	ZXMCDBUKKPJDJW-UHFFFAOYSA-N	-1	0	276.311	2.575	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc(C2CC2)cs1	ZINC000842946553	631790355	/nfs/dbraw/zinc/79/03/55/631790355.db2.gz	WCODPIOAJRKGBJ-AAOUONPWSA-N	-1	0	296.355	2.700	20	30		CFEDRM
C[C@@H]1SCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000843265279	631913187	/nfs/dbraw/zinc/91/31/87/631913187.db2.gz	VVKGTLOEAWTMMF-NVGGYJSVSA-N	-1	0	266.322	2.613	20	30		CFEDRM
CC[C@H](NN=C/C(C)=C/c1ccccc1COC)C(=O)[O-]	ZINC000814228980	632041594	/nfs/dbraw/zinc/04/15/94/632041594.db2.gz	OJVQUFKHCKRTGI-APIAUFETSA-N	-1	0	290.363	2.675	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC1CC1)CCC2	ZINC000814244848	632044523	/nfs/dbraw/zinc/04/45/23/632044523.db2.gz	KMIIHNFQZJKDLK-UHFFFAOYSA-N	-1	0	263.293	2.753	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000844000292	632091594	/nfs/dbraw/zinc/09/15/94/632091594.db2.gz	VJHTWRXYFGOYES-NSHDSACASA-N	-1	0	277.751	2.921	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(CO)c1	ZINC000814680738	632106662	/nfs/dbraw/zinc/10/66/62/632106662.db2.gz	GIPLYTXGYDMCFR-UHFFFAOYSA-N	-1	0	284.315	2.713	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccccc1[N+](=O)[O-]	ZINC000814685491	632108194	/nfs/dbraw/zinc/10/81/94/632108194.db2.gz	IIWDPZSQDZJYPF-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1CC(N=Nc2nncc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000814706351	632111396	/nfs/dbraw/zinc/11/13/96/632111396.db2.gz	XZVRIQAUALMFKD-ZWNOBZJWSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H](c3ccccc3)C2)[n-]c1=O	ZINC000814735225	632116256	/nfs/dbraw/zinc/11/62/56/632116256.db2.gz	VXUGUUXWJHZNJG-LBPRGKRZSA-N	-1	0	283.335	2.621	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2ncnc3sccc32)c1	ZINC000814767484	632119779	/nfs/dbraw/zinc/11/97/79/632119779.db2.gz	JQUVMTFFNKUOQE-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
CCCNN=C(C)CCc1ccc(OCCC(=O)[O-])cc1	ZINC000814804514	632126956	/nfs/dbraw/zinc/12/69/56/632126956.db2.gz	SFCBOXNCNUONMD-UHFFFAOYSA-N	-1	0	292.379	2.848	20	30		CFEDRM
C[C@H]1CC(=NNCc2cccc(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000814804831	632128158	/nfs/dbraw/zinc/12/81/58/632128158.db2.gz	HHLFZRCSTWWXBI-HZMBPMFUSA-N	-1	0	278.327	2.792	20	30		CFEDRM
Cn1c2ccccc2nc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814807266	632128629	/nfs/dbraw/zinc/12/86/29/632128629.db2.gz	NGTMSTORFKTZSL-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
CC(=NNc1cc(C)nc(C)n1)c1csc(C(=O)[O-])c1	ZINC000814807338	632129083	/nfs/dbraw/zinc/12/90/83/632129083.db2.gz	PVVGOLPSISUUGO-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000814829632	632133350	/nfs/dbraw/zinc/13/33/50/632133350.db2.gz	CSCDREKXUTVFHJ-UWVGGRQHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@@H]1C(N=Nc2cnc3ccccc3n2)CC[C@@H]1CC(=O)[O-]	ZINC000814830878	632133595	/nfs/dbraw/zinc/13/35/95/632133595.db2.gz	UOEQXEPLNPWKKG-WDEREUQCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)nc1	ZINC000814831986	632134178	/nfs/dbraw/zinc/13/41/78/632134178.db2.gz	ZRDMKSMVXLONPJ-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc2ccccc12	ZINC000814841485	632135992	/nfs/dbraw/zinc/13/59/92/632135992.db2.gz	PAMSCLPXVFITRK-NEPJUHHUSA-N	-1	0	297.358	2.945	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccnc3ccccc23)CC[C@H]1C(=O)[O-]	ZINC000814841694	632136273	/nfs/dbraw/zinc/13/62/73/632136273.db2.gz	TUAUHZZTTXZELM-DGCLKSJQSA-N	-1	0	297.358	2.945	20	30		CFEDRM
Cc1cc(N=NCc2cc(C(=O)[O-])c(C)cc2C)ncn1	ZINC000814845949	632137155	/nfs/dbraw/zinc/13/71/55/632137155.db2.gz	AHBYCLUONULMKC-UHFFFAOYSA-N	-1	0	284.319	2.546	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814868307	632142451	/nfs/dbraw/zinc/14/24/51/632142451.db2.gz	ODMSTRJNSLWQKH-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@H]1C(N=NCCc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814875692	632144975	/nfs/dbraw/zinc/14/49/75/632144975.db2.gz	RZGRBYWEDHKRLA-YPMHNXCESA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@@H]1CC(N=NCCc2ccccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814875286	632145174	/nfs/dbraw/zinc/14/51/74/632145174.db2.gz	AGCKOGNHJHNJBD-RISCZKNCSA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCCc1ccccc1F	ZINC000814875817	632145879	/nfs/dbraw/zinc/14/58/79/632145879.db2.gz	XSVHAQWYGCHSMY-DGCLKSJQSA-N	-1	0	292.354	2.835	20	30		CFEDRM
Cc1cc(F)ccc1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814884912	632148510	/nfs/dbraw/zinc/14/85/10/632148510.db2.gz	DIIHZHPJGUKKNT-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(OC(C)C)C1	ZINC000814886459	632149374	/nfs/dbraw/zinc/14/93/74/632149374.db2.gz	AAPVSPPOIPEPQO-UHFFFAOYSA-N	-1	0	292.335	2.749	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H](C)C1	ZINC000814886791	632149437	/nfs/dbraw/zinc/14/94/37/632149437.db2.gz	DAILDIRKLWRAHD-VIFPVBQESA-N	-1	0	262.309	2.981	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)n1	ZINC000814890521	632151185	/nfs/dbraw/zinc/15/11/85/632151185.db2.gz	RCEGNSWUBAMNHW-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
COc1cccc(N=NC(C)c2cc(C(=O)[O-])cs2)n1	ZINC000814900401	632154809	/nfs/dbraw/zinc/15/48/09/632154809.db2.gz	RIOYVPUSNKGUCC-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[C@@H]1CC(=O)[O-]	ZINC000814900101	632155331	/nfs/dbraw/zinc/15/53/31/632155331.db2.gz	DGLYIPINLGGQBK-VHSXEESVSA-N	-1	0	286.335	2.852	20	30		CFEDRM
CC(=NNCC(F)(F)F)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814904460	632157055	/nfs/dbraw/zinc/15/70/55/632157055.db2.gz	KGHKNXPVQKORDL-BDAKNGLRSA-N	-1	0	280.290	2.651	20	30		CFEDRM
CC(=NOC1CCOCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814906179	632158008	/nfs/dbraw/zinc/15/80/08/632158008.db2.gz	JXHOWUYDGLLZRJ-NSHDSACASA-N	-1	0	271.357	2.839	20	30		CFEDRM
CCOCCON=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814907521	632158830	/nfs/dbraw/zinc/15/88/30/632158830.db2.gz	NESHIWFZTZNDCL-GHMZBOCLSA-N	-1	0	271.357	2.552	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814911363	632160668	/nfs/dbraw/zinc/16/06/68/632160668.db2.gz	DKAIRLOUCRUWOQ-MNOVXSKESA-N	-1	0	261.325	2.679	20	30		CFEDRM
CC[C@H](C)NN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814912833	632162392	/nfs/dbraw/zinc/16/23/92/632162392.db2.gz	BXHXLUOICUZWKA-DCAQKATOSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=C1CCC(C(=O)[O-])CC1	ZINC000814917725	632164388	/nfs/dbraw/zinc/16/43/88/632164388.db2.gz	POTDCKGBICUZGG-KFJBMODSSA-N	-1	0	252.358	2.786	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814927371	632168424	/nfs/dbraw/zinc/16/84/24/632168424.db2.gz	LGNFCDSPJORVNZ-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=NCC1CCCC1	ZINC000814933383	632170878	/nfs/dbraw/zinc/17/08/78/632170878.db2.gz	MQGZQHRTYSCWBM-UHFFFAOYSA-N	-1	0	252.358	2.787	20	30		CFEDRM
C[C@H]1CC(=NNCC2CCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814933119	632170898	/nfs/dbraw/zinc/17/08/98/632170898.db2.gz	DZFRMDYKCZFHHG-GWCFXTLKSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCSC1	ZINC000814933226	632171025	/nfs/dbraw/zinc/17/10/25/632171025.db2.gz	IHHFXSOWDYOPOQ-LBPRGKRZSA-N	-1	0	272.414	2.883	20	30		CFEDRM
C[C@@H]1C(=NNCC2CCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814933470	632171950	/nfs/dbraw/zinc/17/19/50/632171950.db2.gz	PCWHRRYQEQBARY-CMPLNLGQSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CCCC(=NN[C@H](CC)C(=O)[O-])c1ccc(OC)cc1	ZINC000814936873	632174243	/nfs/dbraw/zinc/17/42/43/632174243.db2.gz	MQUDLMAMMQGIDO-CYBMUJFWSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC(C)OCCON=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814937111	632174507	/nfs/dbraw/zinc/17/45/07/632174507.db2.gz	VMEXHDMQKHKXDC-UHFFFAOYSA-N	-1	0	285.727	2.814	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2cccc(Cl)n2)c1	ZINC000814939291	632175432	/nfs/dbraw/zinc/17/54/32/632175432.db2.gz	LQELOLOCSIYKMQ-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
COc1ccc([C@@H]2CCCCC2=NNCC(=O)[O-])cc1F	ZINC000814956613	632179182	/nfs/dbraw/zinc/17/91/82/632179182.db2.gz	HIWYCJNXYUYEIT-NSHDSACASA-N	-1	0	294.326	2.522	20	30		CFEDRM
C[C@@H]1CC(=NNCC(=O)[O-])C[C@@H](c2ccccc2)C1	ZINC000814958702	632179691	/nfs/dbraw/zinc/17/96/91/632179691.db2.gz	LTSNCBMYVDWDCQ-AAEUAGOBSA-N	-1	0	260.337	2.620	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1csc(-c2csc(C)n2)c1	ZINC000814959197	632179732	/nfs/dbraw/zinc/17/97/32/632179732.db2.gz	SSPIYQRABKNWGI-UHFFFAOYSA-N	-1	0	295.389	2.578	20	30		CFEDRM
C[C@@H]1CC(=NNCC(=O)[O-])C[C@H](c2ccccc2)C1	ZINC000814958704	632180001	/nfs/dbraw/zinc/18/00/01/632180001.db2.gz	LTSNCBMYVDWDCQ-WCQYABFASA-N	-1	0	260.337	2.620	20	30		CFEDRM
CC(C)(C)CC(=NNCC(=O)[O-])c1ccc(F)cc1	ZINC000814960792	632180729	/nfs/dbraw/zinc/18/07/29/632180729.db2.gz	REVHOELLOYKQHG-UHFFFAOYSA-N	-1	0	266.316	2.640	20	30		CFEDRM
CCOc1ccc(NN=Cc2cc(C(=O)[O-])c(C)[nH]2)cc1	ZINC000814984796	632186492	/nfs/dbraw/zinc/18/64/92/632186492.db2.gz	USGXSXYVHQCLER-UHFFFAOYSA-N	-1	0	287.319	2.866	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO[C@H]1C	ZINC000844564789	632248178	/nfs/dbraw/zinc/24/81/78/632248178.db2.gz	GPGAUSFHNXBULQ-YUMQZZPRSA-N	-1	0	282.727	2.861	20	30		CFEDRM
C=C[C@@H](C)ON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000844619812	632264868	/nfs/dbraw/zinc/26/48/68/632264868.db2.gz	DADGGMKPALXMOM-SNVBAGLBSA-N	-1	0	259.305	2.821	20	30		CFEDRM
CC[C@@](C)(CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844622311	632266254	/nfs/dbraw/zinc/26/62/54/632266254.db2.gz	BSQJTDBXHYXBHR-AWEZNQCLSA-N	-1	0	264.325	2.906	20	30		CFEDRM
Cc1c(N=NCC2CCOCC2)cccc1C(=O)[O-]	ZINC000844623946	632267704	/nfs/dbraw/zinc/26/77/04/632267704.db2.gz	OFUVUMDOKZMHQS-UHFFFAOYSA-N	-1	0	262.309	2.518	20	30		CFEDRM
Cc1c(N=NC2CCSCC2)cccc1C(=O)[O-]	ZINC000844627484	632269606	/nfs/dbraw/zinc/26/96/06/632269606.db2.gz	NBUBBRVTRLBEHG-UHFFFAOYSA-N	-1	0	264.350	2.988	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000816977667	632542222	/nfs/dbraw/zinc/54/22/22/632542222.db2.gz	FKVRVPVROKFXKQ-LBPRGKRZSA-N	-1	0	272.348	2.684	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C3CC3)c2)C(=O)O1	ZINC000817342260	632609948	/nfs/dbraw/zinc/60/99/48/632609948.db2.gz	RKKODJKBRMMPPP-ZGRWHYIRSA-N	-1	0	296.322	2.792	20	30		CFEDRM
N#C[C@@H](CCc1ccccc1)C(=O)[N-]OCCC1CC1	ZINC000817446171	632637618	/nfs/dbraw/zinc/63/76/18/632637618.db2.gz	JDWJKSQKLIRTJK-OAHLLOKOSA-N	-1	0	272.348	2.607	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(Cl)cc1	ZINC000846119246	632639298	/nfs/dbraw/zinc/63/92/98/632639298.db2.gz	ZDRJRODORQHDDA-JTQLQIEISA-N	-1	0	281.739	2.543	20	30		CFEDRM
C#CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1	ZINC000817572718	632667018	/nfs/dbraw/zinc/66/70/18/632667018.db2.gz	YQMOOJOXMFJOBR-OAHLLOKOSA-N	-1	0	299.370	2.902	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2c(F)cccc2F)CCC1	ZINC000817609959	632675651	/nfs/dbraw/zinc/67/56/51/632675651.db2.gz	BUNMMJXOYNGWMC-UHFFFAOYSA-N	-1	0	267.275	2.620	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(CCC(C)C)n1	ZINC000846263454	632676440	/nfs/dbraw/zinc/67/64/40/632676440.db2.gz	LGJMLTOOAOYKFQ-UHFFFAOYSA-N	-1	0	282.409	2.804	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)c1ccc(F)cc1	ZINC000846536111	632725610	/nfs/dbraw/zinc/72/56/10/632725610.db2.gz	TYUDBHAVVAJWIX-ZDUSSCGKSA-N	-1	0	251.301	2.943	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)OC1CCCCCC1	ZINC000846536484	632725906	/nfs/dbraw/zinc/72/59/06/632725906.db2.gz	NASKUXIEXLLYNO-GFCCVEGCSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846536436	632725934	/nfs/dbraw/zinc/72/59/34/632725934.db2.gz	LFDSNWCHKDEXCL-LLVKDONJSA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1nc(-c2ccsc2)oc1C	ZINC000846538116	632727540	/nfs/dbraw/zinc/72/75/40/632727540.db2.gz	FNXULVFQOFWUEF-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1cccc(F)c1	ZINC000846538028	632727785	/nfs/dbraw/zinc/72/77/85/632727785.db2.gz	RNHZKZJTHUCDMW-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@]1(C)CCCc2ccccc21	ZINC000846540312	632729389	/nfs/dbraw/zinc/72/93/89/632729389.db2.gz	ZLBKCONGVCLOBK-INIZCTEOSA-N	-1	0	259.349	2.905	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1C	ZINC000846544705	632732747	/nfs/dbraw/zinc/73/27/47/632732747.db2.gz	BYALHYBKOVHXFQ-CHWSQXEVSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cccc(OCC(C)C)c1	ZINC000846546978	632735164	/nfs/dbraw/zinc/73/51/64/632735164.db2.gz	HIENRTJWUCQNAH-ZDUSSCGKSA-N	-1	0	293.363	2.723	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCc2c1cccc2Cl	ZINC000846547094	632735552	/nfs/dbraw/zinc/73/55/52/632735552.db2.gz	AYURZGUXLJKOLM-CABZTGNLSA-N	-1	0	265.740	2.992	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000846547612	632736089	/nfs/dbraw/zinc/73/60/89/632736089.db2.gz	BBSBENRTHPJSAD-DOMZBBRYSA-N	-1	0	288.347	2.584	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1	ZINC000846548154	632736343	/nfs/dbraw/zinc/73/63/43/632736343.db2.gz	IBSQHPPVCXOPQO-FZMZJTMJSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000846548021	632736630	/nfs/dbraw/zinc/73/66/30/632736630.db2.gz	CPHXUAXPSOAIFB-QMMMGPOBSA-N	-1	0	259.227	2.540	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1	ZINC000846548341	632736741	/nfs/dbraw/zinc/73/67/41/632736741.db2.gz	SVQGJOGTGLYARP-RQJABVFESA-N	-1	0	269.385	2.983	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cc(C)c(Cl)c(C)c1	ZINC000846548332	632736765	/nfs/dbraw/zinc/73/67/65/632736765.db2.gz	NMGVGGVJEAKPGS-LLVKDONJSA-N	-1	0	283.755	2.958	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1ccccc1OCC	ZINC000846550455	632738640	/nfs/dbraw/zinc/73/86/40/632738640.db2.gz	XASJARFHXOUCOW-JTQLQIEISA-N	-1	0	285.290	2.799	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846554904	632742027	/nfs/dbraw/zinc/74/20/27/632742027.db2.gz	LLKGWMWTULZXPD-WBMJQRKESA-N	-1	0	295.379	2.677	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CC23CC3)c1[O-]	ZINC000818992469	632924927	/nfs/dbraw/zinc/92/49/27/632924927.db2.gz	QMSSAKYSIFAWQL-XPWNQWCVSA-N	-1	0	266.684	2.925	20	30		CFEDRM
C=CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCOCC1	ZINC000819433392	633161139	/nfs/dbraw/zinc/16/11/39/633161139.db2.gz	NCMZSZAEIRBNQE-UHFFFAOYSA-N	-1	0	286.331	2.575	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCc2ccc(OC)cc21	ZINC000848245247	633223103	/nfs/dbraw/zinc/22/31/03/633223103.db2.gz	JTHOGARNWDWGHL-BXUZGUMPSA-N	-1	0	275.348	2.737	20	30		CFEDRM
C[C@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CS1	ZINC000848413460	633252582	/nfs/dbraw/zinc/25/25/82/633252582.db2.gz	FKFANPFCSYUEPR-JTQLQIEISA-N	-1	0	278.377	2.997	20	30		CFEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848413638	633252710	/nfs/dbraw/zinc/25/27/10/633252710.db2.gz	BAFFGNIOMXVQJB-DZGCQCFKSA-N	-1	0	290.363	2.917	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NCCC2CCOCC2)cc1	ZINC000848414219	633253348	/nfs/dbraw/zinc/25/33/48/633253348.db2.gz	LDVJJCISMUTIOW-UHFFFAOYSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414110	633253366	/nfs/dbraw/zinc/25/33/66/633253366.db2.gz	JKJOEXFQMGOJSV-AWEZNQCLSA-N	-1	0	276.336	2.671	20	30		CFEDRM
COCC[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414547	633253469	/nfs/dbraw/zinc/25/34/69/633253469.db2.gz	OTBYEHGVACVEHD-ZDUSSCGKSA-N	-1	0	290.363	2.918	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1ccc([O-])c(F)c1	ZINC000848640039	633306722	/nfs/dbraw/zinc/30/67/22/633306722.db2.gz	HBVOSGKJRVWISP-ALCCZGGFSA-N	-1	0	286.306	2.960	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(CF)cc1	ZINC000850768753	634083973	/nfs/dbraw/zinc/08/39/73/634083973.db2.gz	XBMOLGZYNSJMEA-AWEZNQCLSA-N	-1	0	288.322	2.537	20	30		CFEDRM
CO[C@@]1(C)C[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000852998760	634871484	/nfs/dbraw/zinc/87/14/84/634871484.db2.gz	RBACTXHDCDXTIY-BPOWHZOISA-N	-1	0	284.699	2.550	20	30		CFEDRM
O=C([O-])c1ccc(N=NCC2CCSCC2)cc1	ZINC000853252733	634952005	/nfs/dbraw/zinc/95/20/05/634952005.db2.gz	STOKHWVNWQZUER-UHFFFAOYSA-N	-1	0	264.350	2.926	20	30		CFEDRM
CO[C@@H](CN=Nc1ccccc1C(=O)[O-])C1CCCC1	ZINC000853280589	634958100	/nfs/dbraw/zinc/95/81/00/634958100.db2.gz	MBIMJKFOYIUOCU-AWEZNQCLSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CCC(Cc1ccc(C(F)(F)F)cc1)=NNCC(=O)[O-]	ZINC000853351103	634980442	/nfs/dbraw/zinc/98/04/42/634980442.db2.gz	VFQGYYHTAJMKMP-UHFFFAOYSA-N	-1	0	288.269	2.688	20	30		CFEDRM
Cc1c(NN=Cc2c(C3CC3)cnn2C)cccc1C(=O)[O-]	ZINC000853370424	634985134	/nfs/dbraw/zinc/98/51/34/634985134.db2.gz	MVOQUYHLIXKIBA-UHFFFAOYSA-N	-1	0	298.346	2.750	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CC2(Cl)Cl)cc1	ZINC000853370749	634985172	/nfs/dbraw/zinc/98/51/72/634985172.db2.gz	VSBJNPYGQRODCS-VIFPVBQESA-N	-1	0	287.146	2.905	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)C1CCCC1	ZINC000853370224	634985426	/nfs/dbraw/zinc/98/54/26/634985426.db2.gz	HETQMFORFVNBHV-OAHLLOKOSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CC(=NN1CCCC[C@H]1C)c1ccc(CC(=O)[O-])cc1	ZINC000853379553	634987495	/nfs/dbraw/zinc/98/74/95/634987495.db2.gz	IYPDJFWPFZOKLB-GFCCVEGCSA-N	-1	0	274.364	2.912	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccnc(Cl)c2)CC1	ZINC000853395433	634992492	/nfs/dbraw/zinc/99/24/92/634992492.db2.gz	XFASVGDOWMGKGT-UHFFFAOYSA-N	-1	0	267.716	2.778	20	30		CFEDRM
O=C([O-])Cn1cc(C=NOCC2CCC2)c2ccccc21	ZINC000853440941	635001621	/nfs/dbraw/zinc/00/16/21/635001621.db2.gz	LLZZJSDTMVSZJT-UHFFFAOYSA-N	-1	0	286.331	2.877	20	30		CFEDRM
C#C[C@](C)(CC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000854701308	635374141	/nfs/dbraw/zinc/37/41/41/635374141.db2.gz	AYIOAZXSSMHJEQ-CYBMUJFWSA-N	-1	0	269.703	2.716	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H]1SCCc2sccc21	ZINC000856032095	635707849	/nfs/dbraw/zinc/70/78/49/635707849.db2.gz	GPNURHVIADIUND-LLVKDONJSA-N	-1	0	269.391	2.702	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1	ZINC000856032848	635708039	/nfs/dbraw/zinc/70/80/39/635708039.db2.gz	TUFPOGMPWGYDMD-MJBXVCDLSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccc(C)cc1	ZINC000856033544	635708708	/nfs/dbraw/zinc/70/87/08/635708708.db2.gz	HTGHDPREKYJLHA-UHFFFAOYSA-N	-1	0	255.264	2.711	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048453247	650266756	/nfs/dbraw/zinc/26/67/56/650266756.db2.gz	VACQCJFLZBAZRP-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
CCOCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518379	650269763	/nfs/dbraw/zinc/26/97/63/650269763.db2.gz	ZCIPOSCBZTUFKT-BENRWUELSA-N	-1	0	297.376	2.760	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c1	ZINC000048519491	650269864	/nfs/dbraw/zinc/26/98/64/650269864.db2.gz	VOWHCEAHILHOOL-NSHDSACASA-N	-1	0	290.344	2.560	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cocc1C	ZINC000860464527	636891071	/nfs/dbraw/zinc/89/10/71/636891071.db2.gz	UCEHQBLTJGAXNM-LBPRGKRZSA-N	-1	0	276.336	2.607	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)c(F)c1	ZINC000075040429	650312468	/nfs/dbraw/zinc/31/24/68/650312468.db2.gz	VKJNHIDSRFKQHC-UHFFFAOYSA-N	-1	0	283.324	2.746	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@@H](C)CC)c1	ZINC000861898136	637254551	/nfs/dbraw/zinc/25/45/51/637254551.db2.gz	CWGOVYZNMMLOQX-RYUDHWBXSA-N	-1	0	290.363	2.761	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)OCc1ccccc1C	ZINC000862133423	637278746	/nfs/dbraw/zinc/27/87/46/637278746.db2.gz	ZQGCZGMYJHKAFZ-STQMWFEESA-N	-1	0	263.337	2.522	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000118779494	637284476	/nfs/dbraw/zinc/28/44/76/637284476.db2.gz	MGLZCNMCJJKKIT-SECBINFHSA-N	-1	0	289.360	2.738	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000862579340	637445445	/nfs/dbraw/zinc/44/54/45/637445445.db2.gz	VDRSHWAVKRMMCD-SNVBAGLBSA-N	-1	0	297.276	2.896	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@H]1CC12CC2	ZINC000863106234	637556638	/nfs/dbraw/zinc/55/66/38/637556638.db2.gz	RHBRTBAAZBXBMA-SNVBAGLBSA-N	-1	0	260.293	2.591	20	30		CFEDRM
CC[C@@H](NN=Cc1csc(C(F)(F)F)c1)C(=O)[O-]	ZINC000863115128	637561335	/nfs/dbraw/zinc/56/13/35/637561335.db2.gz	ZMTRTBVWWCGPHW-SSDOTTSWSA-N	-1	0	280.271	2.554	20	30		CFEDRM
Cc1cccc(N=NC(C)CC2(C(=O)[O-])CCC2)n1	ZINC000863160439	637575221	/nfs/dbraw/zinc/57/52/21/637575221.db2.gz	FCSAQLKRGCYAAL-UHFFFAOYSA-N	-1	0	261.325	2.823	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000864183289	637906380	/nfs/dbraw/zinc/90/63/80/637906380.db2.gz	DLCIQUOVHWXUAY-ZDUSSCGKSA-N	-1	0	295.766	2.721	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)[O-]	ZINC000864183819	637906671	/nfs/dbraw/zinc/90/66/71/637906671.db2.gz	ISWPQKPJSDREEI-VIFPVBQESA-N	-1	0	299.779	2.562	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000864185813	637907185	/nfs/dbraw/zinc/90/71/85/637907185.db2.gz	CPXJZJCTNUNLQT-SRVKXCTJSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1sccc1CC)C(=O)[O-]	ZINC000864185364	637907332	/nfs/dbraw/zinc/90/73/32/637907332.db2.gz	VVTVGUZBZFWKPG-VIFPVBQESA-N	-1	0	287.768	2.636	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C=C1CCCCC1)C(=O)[O-]	ZINC000864185537	637907477	/nfs/dbraw/zinc/90/74/77/637907477.db2.gz	WNNNQPMJZVNSJL-NSHDSACASA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCc1ccc(C)cc1)C(=O)[O-]	ZINC000864184812	637907697	/nfs/dbraw/zinc/90/76/97/637907697.db2.gz	RTUBTFPSNONDBN-ZDUSSCGKSA-N	-1	0	295.766	2.640	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864186846	637908027	/nfs/dbraw/zinc/90/80/27/637908027.db2.gz	YOGVHPXTSGAVBD-ZYHUDNBSSA-N	-1	0	281.739	2.502	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000864186852	637908131	/nfs/dbraw/zinc/90/81/31/637908131.db2.gz	YREDZECOKJBQSI-WDEREUQCSA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C(C)=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000864186942	637908219	/nfs/dbraw/zinc/90/82/19/637908219.db2.gz	AGWQLBKJIOGDFU-CFRMROPGSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000864186801	637908717	/nfs/dbraw/zinc/90/87/17/637908717.db2.gz	XYDAZZRZRPHPIC-QNWHQSFQSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)c1ccccc1)C(=O)[O-]	ZINC000864187257	637908751	/nfs/dbraw/zinc/90/87/51/637908751.db2.gz	HQIWBBZWYAUWSS-HCYCVZQXSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000864187650	637909470	/nfs/dbraw/zinc/90/94/70/637909470.db2.gz	APFSDBYWADJCQY-LBPRGKRZSA-N	-1	0	299.729	2.714	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)O1	ZINC000864347021	637947750	/nfs/dbraw/zinc/94/77/50/637947750.db2.gz	IOKUFLLNXIKJQB-GPZWACFTSA-N	-1	0	298.726	2.939	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cnc(CCC)s1	ZINC000076761919	650402106	/nfs/dbraw/zinc/40/21/06/650402106.db2.gz	MVBIKSLRLMHXHK-UHFFFAOYSA-N	-1	0	290.410	2.530	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccc(C)s1)C(=O)[O-]	ZINC000865214077	638224919	/nfs/dbraw/zinc/22/49/19/638224919.db2.gz	MTXGZISEQBIHTE-QMMMGPOBSA-N	-1	0	288.756	2.774	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-]	ZINC000865214678	638225243	/nfs/dbraw/zinc/22/52/43/638225243.db2.gz	VNCIEEAWAPKKDY-SECBINFHSA-N	-1	0	295.364	2.561	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-]	ZINC000865214680	638225584	/nfs/dbraw/zinc/22/55/84/638225584.db2.gz	VNCIEEAWAPKKDY-VIFPVBQESA-N	-1	0	295.364	2.561	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077881966	650458624	/nfs/dbraw/zinc/45/86/24/650458624.db2.gz	BASRRWNARCIRHC-LLVKDONJSA-N	-1	0	293.344	2.984	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1ccc(Cl)o1	ZINC000077942318	650464802	/nfs/dbraw/zinc/46/48/02/650464802.db2.gz	OOTRZKKNZSLJII-UHFFFAOYSA-N	-1	0	291.737	2.688	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1	ZINC000077940277	650465031	/nfs/dbraw/zinc/46/50/31/650465031.db2.gz	QKABHSZCAPZDDO-UHFFFAOYSA-N	-1	0	295.360	2.697	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccnc3ccccc32)CC1	ZINC000869153553	639049857	/nfs/dbraw/zinc/04/98/57/639049857.db2.gz	UQOCLCJJKQRYHO-UHFFFAOYSA-N	-1	0	282.343	2.890	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)OCc1cccc(C)c1	ZINC000869154091	639050789	/nfs/dbraw/zinc/05/07/89/639050789.db2.gz	LWYCJEDEXDSBOS-CHWSQXEVSA-N	-1	0	263.337	2.522	20	30		CFEDRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000077956771	650465914	/nfs/dbraw/zinc/46/59/14/650465914.db2.gz	YDGYRECFCQOCPE-JTQLQIEISA-N	-1	0	259.371	2.675	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000869282405	639131522	/nfs/dbraw/zinc/13/15/22/639131522.db2.gz	KYBWRAWUXZILBS-UHFFFAOYSA-N	-1	0	290.319	2.640	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2Cc3ccccc3O2)c1	ZINC000078407323	650498695	/nfs/dbraw/zinc/49/86/95/650498695.db2.gz	QIJUWLCELCEVKJ-VEJKBTLKSA-N	-1	0	298.298	2.723	20	30		CFEDRM
CCCCCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122896699	639501046	/nfs/dbraw/zinc/50/10/46/639501046.db2.gz	YNYJBESPYHVEGK-GFCCVEGCSA-N	-1	0	275.352	2.672	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000078527247	650511825	/nfs/dbraw/zinc/51/18/25/650511825.db2.gz	JVSQOYIDUMFZBG-NSHDSACASA-N	-1	0	296.392	2.687	20	30		CFEDRM
CC[C@@H](C)CC[C@@H](O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689773	639772317	/nfs/dbraw/zinc/77/23/17/639772317.db2.gz	BEYOKIZXLXKDGZ-TZMCWYRMSA-N	-1	0	290.363	2.546	20	30		CFEDRM
C[C@@H]1CCC[C@H](OCC(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692776	639774796	/nfs/dbraw/zinc/77/47/96/639774796.db2.gz	NPUJXZAMQOPUDS-OCCSQVGLSA-N	-1	0	288.347	2.564	20	30		CFEDRM
CC1CCC(OCC(=O)[N-]Oc2cccc(C#N)c2)CC1	ZINC000870691503	639774918	/nfs/dbraw/zinc/77/49/18/639774918.db2.gz	NLIVWEDDBQKLFW-UHFFFAOYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2ccccc2C)CCC1	ZINC000192184844	650547399	/nfs/dbraw/zinc/54/73/99/650547399.db2.gz	QJYHTHRTXIFDSS-UHFFFAOYSA-N	-1	0	293.388	2.546	20	30		CFEDRM
C[C@H](CC1CCCC1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123347612	641091696	/nfs/dbraw/zinc/09/16/96/641091696.db2.gz	QYQGJYKPWRBVPR-YPMHNXCESA-N	-1	0	287.363	2.528	20	30		CFEDRM
Cc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N	ZINC000871964016	641535612	/nfs/dbraw/zinc/53/56/12/641535612.db2.gz	NXQJNKNARJJRRU-UONOGXRCSA-N	-1	0	289.379	2.616	20	30		CFEDRM
C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)CC[C@@H]1C(=O)[O-]	ZINC000872407036	641796159	/nfs/dbraw/zinc/79/61/59/641796159.db2.gz	OODYYRFFVAUPMP-SCVCMEIPSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000872753494	641921348	/nfs/dbraw/zinc/92/13/48/641921348.db2.gz	WLCYZQANHBQPOK-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#CCN(C(=O)C[C@H](C(=O)[O-])c1ccccc1)C1CCCC1	ZINC000872953220	641971212	/nfs/dbraw/zinc/97/12/12/641971212.db2.gz	BNWKRFNFJNDUNU-INIZCTEOSA-N	-1	0	299.370	2.649	20	30		CFEDRM
C=CCN(C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21)C1CC1	ZINC000872966769	641973307	/nfs/dbraw/zinc/97/33/07/641973307.db2.gz	RXXNFRJDFNNGFA-SFHVURJKSA-N	-1	0	299.370	2.522	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000872982009	641976750	/nfs/dbraw/zinc/97/67/50/641976750.db2.gz	QZFIKWHZTGNAMY-RHSMWYFYSA-N	-1	0	293.407	2.775	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(C(=O)[O-])CCCC1	ZINC000872984043	641977017	/nfs/dbraw/zinc/97/70/17/641977017.db2.gz	QMKGUKNRFQKQPE-TXEJJXNPSA-N	-1	0	275.348	2.651	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000873004459	641982618	/nfs/dbraw/zinc/98/26/18/641982618.db2.gz	KTHWMJMPJVYTPK-ZQIUZPCESA-N	-1	0	293.407	2.822	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000873075988	642006147	/nfs/dbraw/zinc/00/61/47/642006147.db2.gz	NRVJLEDNPLSSIO-KYZUINATSA-N	-1	0	284.237	2.852	20	30		CFEDRM
N#Cc1c(N[C@H]2C[C@H](C(=O)[O-])C2)cccc1C(F)F	ZINC000873078666	642007155	/nfs/dbraw/zinc/00/71/55/642007155.db2.gz	NKSNKLFJUYDKCO-ZKCHVHJHSA-N	-1	0	266.247	2.771	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000874421041	642381611	/nfs/dbraw/zinc/38/16/11/642381611.db2.gz	ZROPLMADMSBKJM-CYBMUJFWSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CC(C)[C@@H](C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875518977	642633733	/nfs/dbraw/zinc/63/37/33/642633733.db2.gz	VCRDLHUOFBVGKZ-LLVKDONJSA-N	-1	0	288.244	2.721	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C1CCC1	ZINC000083791543	650767885	/nfs/dbraw/zinc/76/78/85/650767885.db2.gz	POPDLHOOLQCPLV-UHFFFAOYSA-N	-1	0	287.768	2.926	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cn(C3CCC3)nn2)c1	ZINC000876497740	642893287	/nfs/dbraw/zinc/89/32/87/642893287.db2.gz	BLQAXMBWKITPOU-BQYQJAHWSA-N	-1	0	297.314	2.597	20	30		CFEDRM
CC[C@@H](CNc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000087509924	650803749	/nfs/dbraw/zinc/80/37/49/650803749.db2.gz	REPFCXXHRIKIDB-QMMMGPOBSA-N	-1	0	252.701	2.734	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000089964550	650860320	/nfs/dbraw/zinc/86/03/20/650860320.db2.gz	KDSQKHUGGDWOPC-KMKOMSMNSA-N	-1	0	279.361	2.787	20	30		CFEDRM
CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)cc1	ZINC000091127370	650892899	/nfs/dbraw/zinc/89/28/99/650892899.db2.gz	OPZWBKMKZJWHTO-GXFFZTMASA-N	-1	0	297.376	2.775	20	30		CFEDRM
C=C1CCC(C(=O)N2CCc3occc3[C@@H]2C(=O)[O-])CC1	ZINC000887325102	647271582	/nfs/dbraw/zinc/27/15/82/647271582.db2.gz	GAGHZLAVGLEBSN-CQSZACIVSA-N	-1	0	289.331	2.536	20	30		CFEDRM
N#Cc1cc(F)ccc1N1CCCC[C@@H]1CC(=O)[O-]	ZINC000111025897	647824099	/nfs/dbraw/zinc/82/40/99/647824099.db2.gz	CIDUZVXSFFJAIV-GFCCVEGCSA-N	-1	0	262.284	2.531	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@H](CC)c1ccccc1)C(=O)[O-]	ZINC000929025827	648974483	/nfs/dbraw/zinc/97/44/83/648974483.db2.gz	JKHHOTZLQMNUMY-KGLIPLIRSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930487500	649259411	/nfs/dbraw/zinc/25/94/11/649259411.db2.gz	BBOFVYPITRQVNT-ZETCQYMHSA-N	-1	0	287.146	2.931	20	30		CFEDRM
CC(C)[C@@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000932381119	649588353	/nfs/dbraw/zinc/58/83/53/649588353.db2.gz	OCHCXYOLAMQOMI-SNVBAGLBSA-N	-1	0	287.146	2.977	20	30		CFEDRM
C#CCN(Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C	ZINC000932464736	649606283	/nfs/dbraw/zinc/60/62/83/649606283.db2.gz	KGBNZBANDTURJB-UHFFFAOYSA-N	-1	0	275.377	2.631	20	30		CFEDRM
COc1cc(C#N)cnc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243512358	782247738	/nfs/dbraw/zinc/24/77/38/782247738.db2.gz	RWZVHRNUDUFFRT-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240842	776762972	/nfs/dbraw/zinc/76/29/72/776762972.db2.gz	YRBZOYUSCRKIOX-ZYHUDNBSSA-N	-1	0	284.315	2.525	20	30		CFEDRM
N#Cc1c(F)cc(Nc2ccc(C(=O)[O-])nc2)cc1F	ZINC001210177483	770222522	/nfs/dbraw/zinc/22/25/22/770222522.db2.gz	TXZXGJOGKBHVHP-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
COc1ncc(Nc2scc([O-])c2C#N)cc1F	ZINC001203401068	770499730	/nfs/dbraw/zinc/49/97/30/770499730.db2.gz	RLZCKMIHJGMUKE-UHFFFAOYSA-N	-1	0	265.269	2.612	20	30		CFEDRM
N#Cc1ccc(Nc2cc([O-])c(F)c(F)c2)c(N)c1	ZINC001213361436	770812610	/nfs/dbraw/zinc/81/26/10/770812610.db2.gz	ONQCIMMSGKGQGH-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
C#Cc1cccnc1Nc1cccc(C(=O)[O-])c1C	ZINC001216657257	773207229	/nfs/dbraw/zinc/20/72/29/773207229.db2.gz	VEVMBFKWUPTETH-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
CCCCCCCCCOC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224386301	775171061	/nfs/dbraw/zinc/17/10/61/775171061.db2.gz	JYPBXFUTIXPIRQ-GFCCVEGCSA-N	-1	0	274.357	2.506	20	30		CFEDRM
Cc1nc(C#N)c(Nc2ccc(C)c(C(=O)[O-])c2)o1	ZINC001211597176	775166415	/nfs/dbraw/zinc/16/64/15/775166415.db2.gz	UTBDCKYWWVLGOK-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
C=CC[C@@H](CCC)OCCCC[P@@](=O)([O-])O	ZINC001225021892	775338977	/nfs/dbraw/zinc/33/89/77/775338977.db2.gz	JYOSGULIDAXFDR-NSHDSACASA-N	-1	0	250.275	2.706	20	30		CFEDRM
C[C@@H](OCCCC[P@@](=O)([O-])O)c1ccccc1C#N	ZINC001225019547	775338418	/nfs/dbraw/zinc/33/84/18/775338418.db2.gz	YIDHWQVHGMLBCG-LLVKDONJSA-N	-1	0	283.264	2.594	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)Cc2ccccc2)[nH]1	ZINC001225470390	775468972	/nfs/dbraw/zinc/46/89/72/775468972.db2.gz	WMELXUKOAUCWEO-LBPRGKRZSA-N	-1	0	268.316	2.977	20	30		CFEDRM
N#CC1CC(Oc2c(F)c(F)c([O-])c(F)c2F)C1	ZINC001225885888	775624125	/nfs/dbraw/zinc/62/41/25/775624125.db2.gz	PFIDPNSLLRMBTJ-UHFFFAOYSA-N	-1	0	261.174	2.630	20	30		CFEDRM
CC(=O)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226007909	775665813	/nfs/dbraw/zinc/66/58/13/775665813.db2.gz	BLRDENAJPLVJRT-CYBMUJFWSA-N	-1	0	286.262	2.507	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226067213	775686803	/nfs/dbraw/zinc/68/68/03/775686803.db2.gz	FQBUYOGOHJXQFD-MRVPVSSYSA-N	-1	0	284.237	2.858	20	30		CFEDRM
C=CC(C=C)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068771	775687741	/nfs/dbraw/zinc/68/77/41/775687741.db2.gz	VJJGWDFIHLUAGB-UHFFFAOYSA-N	-1	0	270.210	2.797	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(C)cc(=O)[n-]2)O1	ZINC001226155894	775718694	/nfs/dbraw/zinc/71/86/94/775718694.db2.gz	HNLSFSSBZCNHIM-XHDPSFHLSA-N	-1	0	278.352	2.772	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H]2CC3CCC2CC3)c1C#N	ZINC001226221716	775741081	/nfs/dbraw/zinc/74/10/81/775741081.db2.gz	QCEIPIPQZAOBDG-GCZXYKMCSA-N	-1	0	258.321	2.925	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000136200768	775741453	/nfs/dbraw/zinc/74/14/53/775741453.db2.gz	HSCXGHKUXVDZPO-CYBMUJFWSA-N	-1	0	280.711	2.917	20	30		CFEDRM
Cc1cccc2c1CC[C@@H]2Oc1nccc(/C=N/O)n1	ZINC001226253868	775755442	/nfs/dbraw/zinc/75/54/42/775755442.db2.gz	NFAUOVHWJVONBT-VEJKBTLKSA-N	-1	0	269.304	2.659	20	30		CFEDRM
C=C[C@@H](CCC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346936	775786712	/nfs/dbraw/zinc/78/67/12/775786712.db2.gz	NJMYYBHFNFJYEM-ZETCQYMHSA-N	-1	0	262.231	2.935	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]c(=O)nnc2C)C1	ZINC001226460403	775832222	/nfs/dbraw/zinc/83/22/22/775832222.db2.gz	CWEYLBSAELEHPL-NWDGAFQWSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH]c(=O)nc3cnncc32)C1	ZINC001226689075	775920674	/nfs/dbraw/zinc/92/06/74/775920674.db2.gz	ZGMUVRBTPKGMLL-RISCZKNCSA-N	-1	0	298.346	2.805	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788500	775965068	/nfs/dbraw/zinc/96/50/68/775965068.db2.gz	WNEJVIMQARWYBQ-SECBINFHSA-N	-1	0	299.168	2.824	20	30		CFEDRM
C=CC[C@@H](Oc1n[n-]c(=O)cc1Br)C(C)C	ZINC001226850818	775990604	/nfs/dbraw/zinc/99/06/04/775990604.db2.gz	WXGWRIPYZKZUTL-SECBINFHSA-N	-1	0	287.157	2.924	20	30		CFEDRM
C=C(C)C[C@H](Oc1[n-]c(=O)nc2cnccc21)C(=C)C	ZINC001226975962	776043720	/nfs/dbraw/zinc/04/37/20/776043720.db2.gz	GAKLHWAPOROIEN-ZDUSSCGKSA-N	-1	0	271.320	2.608	20	30		CFEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227275186	776167975	/nfs/dbraw/zinc/16/79/75/776167975.db2.gz	VUMJVLJPVHJMPY-GFCCVEGCSA-N	-1	0	267.288	2.970	20	30		CFEDRM
Cc1cc(Nc2c(N)cccc2C#N)ccc1C(=O)[O-]	ZINC001211660578	776201493	/nfs/dbraw/zinc/20/14/93/776201493.db2.gz	ASTMSKBGLKKXLT-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=C[C@H](CC)Oc1ccc(S(=O)(=O)[O-])c2cccnc12	ZINC001227438317	776203373	/nfs/dbraw/zinc/20/33/73/776203373.db2.gz	NMGJIJIAPBSQNQ-SNVBAGLBSA-N	-1	0	293.344	2.825	20	30		CFEDRM
C=CC(C=C)Oc1ccc(S(=O)(=O)[O-])c2cccnc12	ZINC001227438739	776203969	/nfs/dbraw/zinc/20/39/69/776203969.db2.gz	OQYIMJPXLNAYPV-UHFFFAOYSA-N	-1	0	291.328	2.601	20	30		CFEDRM
C#C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(C)C	ZINC001227605893	776240680	/nfs/dbraw/zinc/24/06/80/776240680.db2.gz	ROCGNWXPNZXPLQ-ZCFIWIBFSA-N	-1	0	261.108	2.526	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605685	776241173	/nfs/dbraw/zinc/24/11/73/776241173.db2.gz	LQWRKBHNQORSAF-SSDOTTSWSA-N	-1	0	275.135	2.916	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]c(=O)nc2ncsc21	ZINC001227612367	776242539	/nfs/dbraw/zinc/24/25/39/776242539.db2.gz	YAVMLWATCLFTGC-ZCFIWIBFSA-N	-1	0	285.394	2.658	20	30		CFEDRM
C=C[C@H](C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O	ZINC001227635047	776249767	/nfs/dbraw/zinc/24/97/67/776249767.db2.gz	FTQBGYYDNPPHML-VIFPVBQESA-N	-1	0	294.328	2.745	20	30		CFEDRM
C=C[C@@H](C)Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21	ZINC001227666214	776250635	/nfs/dbraw/zinc/25/06/35/776250635.db2.gz	BJFMWJDGGVHGBH-SECBINFHSA-N	-1	0	294.328	2.745	20	30		CFEDRM
C#C[C@H](Oc1nc(=O)[n-]c2c1COC2)[C@H](CC)CCCC	ZINC001227690665	776259449	/nfs/dbraw/zinc/25/94/49/776259449.db2.gz	NRHKVYYORYRNNP-RISCZKNCSA-N	-1	0	290.363	2.809	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227709837	776265046	/nfs/dbraw/zinc/26/50/46/776265046.db2.gz	HDCSOEYDCZWEHK-WDEREUQCSA-N	-1	0	276.336	2.734	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227713832	776266917	/nfs/dbraw/zinc/26/69/17/776266917.db2.gz	QUKHKKJXAGWMBD-VHSXEESVSA-N	-1	0	264.325	2.897	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000027490220	776312418	/nfs/dbraw/zinc/31/24/18/776312418.db2.gz	XSMUVIZJMPWLHR-UHFFFAOYSA-N	-1	0	275.329	2.689	20	30		CFEDRM
C=C[C@H](CCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228004040	776357048	/nfs/dbraw/zinc/35/70/48/776357048.db2.gz	IGHCQWAHKARTGU-SNVBAGLBSA-N	-1	0	259.309	2.854	20	30		CFEDRM
CC#CC[C@H](CC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228437210	776491621	/nfs/dbraw/zinc/49/16/21/776491621.db2.gz	GZNNSUQIKPQXQV-LBPRGKRZSA-N	-1	0	288.376	2.522	20	30		CFEDRM
CCc1oc(C)c([O-])c1Oc1cc2c(cc1[O-])CCC2=O	ZINC001228854766	776635460	/nfs/dbraw/zinc/63/54/60/776635460.db2.gz	VZOJRIMRUZCHNC-MRVPVSSYSA-N	-1	0	288.299	2.509	20	30		CFEDRM
C[C@@H](COc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228898953	776649777	/nfs/dbraw/zinc/64/97/77/776649777.db2.gz	PIIAKSHDXDSSBW-NSHDSACASA-N	-1	0	270.288	2.505	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(N(C)C)c1	ZINC001228903362	776653378	/nfs/dbraw/zinc/65/33/78/776653378.db2.gz	XPKMRUIBAOBSAC-LLVKDONJSA-N	-1	0	283.331	2.865	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)O1	ZINC001228903503	776653433	/nfs/dbraw/zinc/65/34/33/776653433.db2.gz	YGELVZBUDHNXFV-WBMJQRKESA-N	-1	0	288.347	2.940	20	30		CFEDRM
C#C[C@@H](Oc1c(O)c(OC)cc2ccc(=O)oc21)C(C)C	ZINC001229214150	776754413	/nfs/dbraw/zinc/75/44/13/776754413.db2.gz	BVZYHWSLKRCZCD-LLVKDONJSA-N	-1	0	288.299	2.544	20	30		CFEDRM
N#Cc1ccc(Nc2ccsc2C(=O)[O-])c(C#N)c1	ZINC001215397984	776755478	/nfs/dbraw/zinc/75/54/78/776755478.db2.gz	WGJOJQJOTMCLJM-UHFFFAOYSA-N	-1	0	269.285	2.933	20	30		CFEDRM
C=C[C@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001229378139	776795754	/nfs/dbraw/zinc/79/57/54/776795754.db2.gz	HQIPGVJFGMXESG-NSHDSACASA-N	-1	0	287.275	2.705	20	30		CFEDRM
CCOC(=O)C[C@@H](CC#N)Oc1ccc([S-])cc1C	ZINC001229635008	776862552	/nfs/dbraw/zinc/86/25/52/776862552.db2.gz	QFTJINZUZQNLAK-LLVKDONJSA-N	-1	0	279.361	2.898	20	30		CFEDRM
C[C@@H](Oc1ccccc1-c1nn[nH]n1)c1ccccc1C#N	ZINC001229951104	776923358	/nfs/dbraw/zinc/92/33/58/776923358.db2.gz	PWEMMHOSOILGDK-LLVKDONJSA-N	-1	0	291.314	2.878	20	30		CFEDRM
C[C@H](Oc1ccccc1-c1nn[nH]n1)c1ccccc1C#N	ZINC001229951110	776923605	/nfs/dbraw/zinc/92/36/05/776923605.db2.gz	PWEMMHOSOILGDK-NSHDSACASA-N	-1	0	291.314	2.878	20	30		CFEDRM
C#C[C@@H](Oc1nc(Cl)[n-]c(=O)n1)[C@H](CC)CCCC	ZINC001230242128	776964805	/nfs/dbraw/zinc/96/48/05/776964805.db2.gz	YYLJZAIUKLJZCE-NXEZZACHSA-N	-1	0	283.759	2.828	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1ncc(C(=O)OC)[n-]1	ZINC001230282025	776971386	/nfs/dbraw/zinc/97/13/86/776971386.db2.gz	NXYQACHTQLWUKC-GMXVVIOVSA-N	-1	0	278.352	2.956	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861875	777076447	/nfs/dbraw/zinc/07/64/47/777076447.db2.gz	GWBRWPDUTGJRGW-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230884800	777081969	/nfs/dbraw/zinc/08/19/69/777081969.db2.gz	SBCOYRAGGLNVTJ-SNVBAGLBSA-N	-1	0	260.268	2.984	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231073325	777133003	/nfs/dbraw/zinc/13/30/03/777133003.db2.gz	AOKNRNCRUORLQI-SSDOTTSWSA-N	-1	0	287.703	2.867	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074087	777133189	/nfs/dbraw/zinc/13/31/89/777133189.db2.gz	KQTGBAUPXDQMGP-BXKDBHETSA-N	-1	0	272.279	2.655	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231347443	777197368	/nfs/dbraw/zinc/19/73/68/777197368.db2.gz	LIKGORZMFPMNAI-NSHDSACASA-N	-1	0	286.331	2.915	20	30		CFEDRM
N#CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2F)C1	ZINC001231459038	777225513	/nfs/dbraw/zinc/22/55/13/777225513.db2.gz	RMNSCGHXHUJSHO-NSHDSACASA-N	-1	0	276.311	2.650	20	30		CFEDRM
N#C[C@H]1CCCCN1Cc1cccc(Cl)c1[O-]	ZINC001231912259	777364436	/nfs/dbraw/zinc/36/44/36/777364436.db2.gz	BFZUJULYPOGSEO-LLVKDONJSA-N	-1	0	250.729	2.924	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](CC#N)c2ccccc2)n1	ZINC001226159586	777462145	/nfs/dbraw/zinc/46/21/45/777462145.db2.gz	QZOBCXBXPUJAHR-GFCCVEGCSA-N	-1	0	255.277	2.524	20	30		CFEDRM
COc1cccc2c1CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001232677726	777639019	/nfs/dbraw/zinc/63/90/19/777639019.db2.gz	IISMHYGKMAIEKV-UHFFFAOYSA-N	-1	0	280.327	2.788	20	30		CFEDRM
C#C[C@@H](CCC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835012	778090466	/nfs/dbraw/zinc/09/04/66/778090466.db2.gz	TUDAUQRAZZARPE-NSHDSACASA-N	-1	0	258.273	2.679	20	30		CFEDRM
O=C1C=C[C@@H](Oc2ccc3[n-]c(=S)sc3c2)C1	ZINC001234424731	778223309	/nfs/dbraw/zinc/22/33/09/778223309.db2.gz	MTQDBRIFXOMGEZ-MRVPVSSYSA-N	-1	0	263.343	2.861	20	30		CFEDRM
CCC[C@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511403	778241326	/nfs/dbraw/zinc/24/13/26/778241326.db2.gz	PDTWWMKZKVMJGR-VIFPVBQESA-N	-1	0	257.293	2.774	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513445	778241481	/nfs/dbraw/zinc/24/14/81/778241481.db2.gz	KWFOAWPPVUYKJG-GFCCVEGCSA-N	-1	0	281.315	2.634	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530259	778245367	/nfs/dbraw/zinc/24/53/67/778245367.db2.gz	JOBIACMWTCAURW-NSHDSACASA-N	-1	0	269.304	2.941	20	30		CFEDRM
N#Cc1cc(Nc2cnc(N3CCCC3)nc2)c([O-])cc1F	ZINC001211936437	778286138	/nfs/dbraw/zinc/28/61/38/778286138.db2.gz	QJAPTDGJMYWQSG-UHFFFAOYSA-N	-1	0	299.309	2.537	20	30		CFEDRM
[O-]N=Cc1ccccc1OC[C@H]1COc2cscc2O1	ZINC001234820243	778301201	/nfs/dbraw/zinc/30/12/01/778301201.db2.gz	SOKNFQORFOFSES-NSHDSACASA-N	-1	0	291.328	2.775	20	30		CFEDRM
N#CCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1	ZINC001235029196	778359075	/nfs/dbraw/zinc/35/90/75/778359075.db2.gz	PHENSBJBMYDWJP-XBXARRHUSA-N	-1	0	264.284	2.912	20	30		CFEDRM
C=C(Cl)CNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000160951780	778620730	/nfs/dbraw/zinc/62/07/30/778620730.db2.gz	MNDVOOLCOWZGQK-UHFFFAOYSA-N	-1	0	273.760	2.670	20	30		CFEDRM
COc1nc(-c2c(F)cc(F)c([O-])c2F)ccc1C#N	ZINC001235983705	778639643	/nfs/dbraw/zinc/63/96/43/778639643.db2.gz	GOTMYMJWHORSSD-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
COc1cnc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001235985196	778641144	/nfs/dbraw/zinc/64/11/44/778641144.db2.gz	ODRIKLNKEKYBBD-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
COc1nc(-c2c(F)cc(F)c([O-])c2F)c(F)cc1C#N	ZINC001235989549	778642989	/nfs/dbraw/zinc/64/29/89/778642989.db2.gz	HDUPVPRPUCDXSP-UHFFFAOYSA-N	-1	0	298.195	2.891	20	30		CFEDRM
N#CCOc1ccc(-c2c(F)cc(F)c([O-])c2F)nc1	ZINC001235993793	778645149	/nfs/dbraw/zinc/64/51/49/778645149.db2.gz	OZKTUTGBCOYKCD-UHFFFAOYSA-N	-1	0	280.205	2.774	20	30		CFEDRM
N#CCc1ccncc1-c1c(F)cc(F)c([O-])c1F	ZINC001236001942	778649282	/nfs/dbraw/zinc/64/92/82/778649282.db2.gz	GPYUFBCQFSROGE-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1C#N	ZINC001236059996	778673008	/nfs/dbraw/zinc/67/30/08/778673008.db2.gz	DWZNOTGYJOEUSI-UHFFFAOYSA-N	-1	0	262.268	2.990	20	30		CFEDRM
C#CCC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCCCC1	ZINC000909118112	778695343	/nfs/dbraw/zinc/69/53/43/778695343.db2.gz	XDHJKTKQMVFVAB-UHFFFAOYSA-N	-1	0	299.370	2.975	20	30		CFEDRM
Cc1c(Cl)c(-c2cc(C#N)cnn2)ccc1C(=O)[O-]	ZINC001236115280	778699309	/nfs/dbraw/zinc/69/93/09/778699309.db2.gz	ZGCRDQFXQHIFIB-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1cc(-c2ccc(Cl)c(C(=O)[O-])c2F)nc(C#N)n1	ZINC001236144540	778716197	/nfs/dbraw/zinc/71/61/97/778716197.db2.gz	SNHKLSASNREOTK-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
Cc1cnc(C#N)c(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236150711	778718351	/nfs/dbraw/zinc/71/83/51/778718351.db2.gz	JWRWHMCGEQZNEV-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
N#CCc1ncc(-c2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001236159826	778721380	/nfs/dbraw/zinc/72/13/80/778721380.db2.gz	XKRRYAKPETVCQG-UHFFFAOYSA-N	-1	0	291.669	2.700	20	30		CFEDRM
CSc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccn1	ZINC000176397037	779122421	/nfs/dbraw/zinc/12/24/21/779122421.db2.gz	MZMSMYQMSKRSSQ-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
C#CC1CCN(Cc2cc(Cl)nc(Cl)c2[O-])CC1	ZINC001237523052	779125960	/nfs/dbraw/zinc/12/59/60/779125960.db2.gz	NXFIMRCZSOWIAT-UHFFFAOYSA-N	-1	0	285.174	2.939	20	30		CFEDRM
N#C[C@@H]1CCCCN1Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237539044	779128793	/nfs/dbraw/zinc/12/87/93/779128793.db2.gz	PVKPELHFSNTUGC-VIFPVBQESA-N	-1	0	286.162	2.972	20	30		CFEDRM
CCN(CCC#N)Cc1cc(F)cc(Cl)c1[O-]	ZINC001237811823	779185558	/nfs/dbraw/zinc/18/55/58/779185558.db2.gz	COKRNTOWSKGFHN-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
N#CC1CCN(Cc2cc(Cl)c([O-])cc2F)CC1	ZINC001238143155	779260137	/nfs/dbraw/zinc/26/01/37/779260137.db2.gz	KQEPSGUBKSPCGZ-UHFFFAOYSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#CCC1CN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238141899	779260626	/nfs/dbraw/zinc/26/06/26/779260626.db2.gz	AMUHMKABGBATLP-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])cc2F)ncc1C#N	ZINC001239245754	779482997	/nfs/dbraw/zinc/48/29/97/779482997.db2.gz	SOUIDNLTUNFEIT-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1C(C)C	ZINC000130664433	779500444	/nfs/dbraw/zinc/50/04/44/779500444.db2.gz	RMXANPWYKDXROL-AWEZNQCLSA-N	-1	0	289.379	2.533	20	30		CFEDRM
COc1ccnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239333475	779522923	/nfs/dbraw/zinc/52/29/23/779522923.db2.gz	QUKWWTZTKLAOAQ-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1c(F)cncc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240550159	780243748	/nfs/dbraw/zinc/24/37/48/780243748.db2.gz	RSCNDLOJZZLANG-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001240734492	780402200	/nfs/dbraw/zinc/40/22/00/780402200.db2.gz	XZACGVDIBDYLKT-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cc(-c2nccc(C)c2C#N)ccc1C(=O)[O-]	ZINC001240741375	780406808	/nfs/dbraw/zinc/40/68/08/780406808.db2.gz	FBJYIACNKBZPOV-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2ccc3c(C#N)c[nH]c3n2)ccc1C(=O)[O-]	ZINC001240743087	780408883	/nfs/dbraw/zinc/40/88/83/780408883.db2.gz	QCMMENIGPKFFKG-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1cc(-c2cc3cc[nH]c3nc2C#N)ccc1C(=O)[O-]	ZINC001240745004	780409892	/nfs/dbraw/zinc/40/98/92/780409892.db2.gz	RVOFMFQJUQHBDE-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])s2)nc1C#N	ZINC001240846123	780472458	/nfs/dbraw/zinc/47/24/58/780472458.db2.gz	QNBLOMXHBFPBIZ-UHFFFAOYSA-N	-1	0	286.312	2.945	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])s2)ccc1C#N	ZINC001240847952	780474822	/nfs/dbraw/zinc/47/48/22/780474822.db2.gz	TWUXCBDCXPLXBP-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(CC(=O)[O-])cc2)c1	ZINC001240975971	780564556	/nfs/dbraw/zinc/56/45/56/780564556.db2.gz	MNEVQEMWSIBJRG-UHFFFAOYSA-N	-1	0	251.285	2.747	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc(C#N)cc1F	ZINC001240998942	780582651	/nfs/dbraw/zinc/58/26/51/780582651.db2.gz	DZJCQDOBICHBOJ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001241001249	780584433	/nfs/dbraw/zinc/58/44/33/780584433.db2.gz	QIJICOWTANWQTI-UHFFFAOYSA-N	-1	0	267.288	2.584	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccccc2[O-])n1	ZINC001241003122	780586595	/nfs/dbraw/zinc/58/65/95/780586595.db2.gz	HHDGEYLLBGCVDI-UHFFFAOYSA-N	-1	0	257.318	2.751	20	30		CFEDRM
Cc1nc(C#N)ccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212512020	780619241	/nfs/dbraw/zinc/61/92/41/780619241.db2.gz	RHLAFMXEWIKNGL-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
COc1ccnc(-c2c(F)cc([O-])cc2F)c1C#N	ZINC001241116640	780645364	/nfs/dbraw/zinc/64/53/64/780645364.db2.gz	DEKNQPBFDOVKTN-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#Cc1ncc(-c2c(F)cc([O-])cc2F)cc1F	ZINC001241121664	780651284	/nfs/dbraw/zinc/65/12/84/780651284.db2.gz	AFNJWHKPZACQDI-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241183009	780687828	/nfs/dbraw/zinc/68/78/28/780687828.db2.gz	HPMPZKSWLCAZIZ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1cccnc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241183812	780688758	/nfs/dbraw/zinc/68/87/58/780688758.db2.gz	YBICWOXCGPTCBU-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241185611	780689838	/nfs/dbraw/zinc/68/98/38/780689838.db2.gz	WIZWVUOWUULFQJ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(F)c(C(=O)[O-])c1)CCC2	ZINC001241243186	780727943	/nfs/dbraw/zinc/72/79/43/780727943.db2.gz	XIZKQJMTQYYDSD-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1c(F)cncc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241245389	780729762	/nfs/dbraw/zinc/72/97/62/780729762.db2.gz	ALNDLVOXYNOMSM-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001241247413	780732424	/nfs/dbraw/zinc/73/24/24/780732424.db2.gz	SSPBEKXLZGPOIV-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cn1	ZINC001241350058	780802122	/nfs/dbraw/zinc/80/21/22/780802122.db2.gz	UMXDFMZJJQMVLG-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3cccc(C(=O)[O-])c3)c12	ZINC001241359128	780809019	/nfs/dbraw/zinc/80/90/19/780809019.db2.gz	IQADWHPZOOXWGK-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
O=C([O-])c1cccc(-c2ccc(/C=N/O)c(F)c2)c1	ZINC001241360389	780811406	/nfs/dbraw/zinc/81/14/06/780811406.db2.gz	KNIYYJIVMHQJEC-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccsc1C(F)(F)F	ZINC000704326148	781097342	/nfs/dbraw/zinc/09/73/42/781097342.db2.gz	IADLOZIKZKFHSO-UHFFFAOYSA-N	-1	0	279.283	2.840	20	30		CFEDRM
N#Cc1c(C(F)(F)F)ccnc1-c1cncc(C(=O)[O-])c1	ZINC001241797534	781130883	/nfs/dbraw/zinc/13/08/83/781130883.db2.gz	LLSYKEIDIZXBFS-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1cnc(-c2cncc(C(=O)[O-])c2)cc1C(F)(F)F	ZINC001241800166	781131827	/nfs/dbraw/zinc/13/18/27/781131827.db2.gz	MLKQTYXGMIEFBQ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CCc1c(F)cccc1-c1cncc(C(=O)[O-])c1	ZINC001241803367	781135076	/nfs/dbraw/zinc/13/50/76/781135076.db2.gz	VUBDZVBLMOLEEM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1ccc(C#N)c(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241813627	781141029	/nfs/dbraw/zinc/14/10/29/781141029.db2.gz	VBYNVWSJBGDNSW-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cnc(-c2cc(F)cc(C(=O)[O-])c2)c(F)c1	ZINC001241823415	781144433	/nfs/dbraw/zinc/14/44/33/781144433.db2.gz	IRTDZGMVLMZWHO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(-c2ccc(C)c(C#N)n2)cc1C(=O)[O-]	ZINC001241854312	781154882	/nfs/dbraw/zinc/15/48/82/781154882.db2.gz	FFJVLTZHXLZKBI-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C=CCCc1ccccc1-c1cnn(CC(=O)[O-])c1	ZINC001242184618	781316481	/nfs/dbraw/zinc/31/64/81/781316481.db2.gz	OKGCANMXIGHOCH-UHFFFAOYSA-N	-1	0	256.305	2.753	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncnc2[nH]cc(C#N)c21	ZINC001242205366	781326063	/nfs/dbraw/zinc/32/60/63/781326063.db2.gz	YBJQAXOZUMZHKE-UHFFFAOYSA-N	-1	0	296.261	2.642	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(OCC#N)cn1	ZINC001242210817	781328248	/nfs/dbraw/zinc/32/82/48/781328248.db2.gz	XJECYQOPJSHLBX-UHFFFAOYSA-N	-1	0	286.262	2.797	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(F)cc1[O-])CCC2	ZINC001242217088	781332299	/nfs/dbraw/zinc/33/22/99/781332299.db2.gz	LRSJJGKTUDWABT-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
C=CCn1ccc2c1ncnc2-c1cccc(CC(=O)[O-])c1	ZINC001242261544	781346504	/nfs/dbraw/zinc/34/65/04/781346504.db2.gz	ICSVFVDKAWKEAF-UHFFFAOYSA-N	-1	0	293.326	2.911	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3cccc(CC(=O)[O-])c3)cc12	ZINC001242263377	781348938	/nfs/dbraw/zinc/34/89/38/781348938.db2.gz	ATVIUNLRVVJORZ-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
Cc1nccc(-c2cccc(CC(=O)[O-])c2)c1C#N	ZINC001242265989	781351197	/nfs/dbraw/zinc/35/11/97/781351197.db2.gz	RNHYYBJCTKEFEI-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
C#Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1	ZINC001242293869	781373376	/nfs/dbraw/zinc/37/33/76/781373376.db2.gz	RKSDSCCGJFPWKQ-UHFFFAOYSA-N	-1	0	292.216	2.842	20	30		CFEDRM
C#Cc1ccc(-c2cccc(S(=O)(=O)[O-])c2)cc1	ZINC001242294289	781373920	/nfs/dbraw/zinc/37/39/20/781373920.db2.gz	BDGPRUZEVYANMH-UHFFFAOYSA-N	-1	0	258.298	2.582	20	30		CFEDRM
N#CCc1cc(F)cc(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242337985	781409643	/nfs/dbraw/zinc/40/96/43/781409643.db2.gz	USMDSMUCOKHWQM-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1nccc2cc(-c3ccc(C(=O)[O-])nc3)ccc12	ZINC001242338253	781409750	/nfs/dbraw/zinc/40/97/50/781409750.db2.gz	RWTGYOJAWWLYQV-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cccc(C(=O)[O-])c1F	ZINC001242377813	781447122	/nfs/dbraw/zinc/44/71/22/781447122.db2.gz	IGMYPAQDBVAOBJ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1ccc(C#N)cc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC001242544793	781584305	/nfs/dbraw/zinc/58/43/05/781584305.db2.gz	VKCRDVFNHREMNR-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
Cc1cc(N2CCCC2)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562397	781599466	/nfs/dbraw/zinc/59/94/66/781599466.db2.gz	WIPOEUCOMSGYGM-UHFFFAOYSA-N	-1	0	280.331	2.630	20	30		CFEDRM
CC(=NN[C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC001119307719	781759289	/nfs/dbraw/zinc/75/92/89/781759289.db2.gz	ZRPMLLJLSOTSOG-JTQLQIEISA-N	-1	0	295.364	2.510	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cccc([O-])c1Cl	ZINC001242797972	781764243	/nfs/dbraw/zinc/76/42/43/781764243.db2.gz	PLQZHVGFVLWCAW-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nccc(C#N)c1C	ZINC001242921213	781843134	/nfs/dbraw/zinc/84/31/34/781843134.db2.gz	SFAPHTWHKVORHJ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000594546881	349445340	/nfs/dbraw/zinc/44/53/40/349445340.db2.gz	ZSRMQFJXMQYYJF-SSDOTTSWSA-N	-1	0	272.226	2.710	20	30		CFEDRM
Cc1ccc(-c2cnn([C@H](C)CC(=O)[O-])c2)c(C#N)c1	ZINC000594871961	349491367	/nfs/dbraw/zinc/49/13/67/349491367.db2.gz	JKFPOXSPWFLIRD-LLVKDONJSA-N	-1	0	269.304	2.766	20	30		CFEDRM
COc1ccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])c(C#N)c1	ZINC000594872134	349491515	/nfs/dbraw/zinc/49/15/15/349491515.db2.gz	WLONHHVGWFAGRY-UHFFFAOYSA-N	-1	0	299.330	2.884	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1nc2ncccc2cc1C#N	ZINC000595965699	349773040	/nfs/dbraw/zinc/77/30/40/349773040.db2.gz	HWESEEPDPPQOMZ-UHFFFAOYSA-N	-1	0	284.319	2.557	20	30		CFEDRM
C[C@@H]1CCN(c2cccc(Cl)c2C#N)C[C@H]1C(=O)[O-]	ZINC000595969997	349773079	/nfs/dbraw/zinc/77/30/79/349773079.db2.gz	SZSSNAAJCJUWMX-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1cc2c(nc1NC[C@@H](C(=O)[O-])C1CCC1)CCCC2	ZINC000595977644	349773926	/nfs/dbraw/zinc/77/39/26/349773926.db2.gz	MUATXGPLOGCGKD-CQSZACIVSA-N	-1	0	299.374	2.745	20	30		CFEDRM
C=CCCSCCN=c1nc(C2CCOCC2)[n-]s1	ZINC000596412760	349894686	/nfs/dbraw/zinc/89/46/86/349894686.db2.gz	MEQMSERMUZXYJB-UHFFFAOYSA-N	-1	0	299.465	2.575	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(Cl)o2)nc(C)n1	ZINC000075440350	347076925	/nfs/dbraw/zinc/07/69/25/347076925.db2.gz	VLSPXOJXXIPXRJ-VIFPVBQESA-N	-1	0	275.695	2.830	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1	ZINC000178593351	232383977	/nfs/dbraw/zinc/38/39/77/232383977.db2.gz	HVRRIBXJWRAGGO-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@H]2CCCC[C@@H]2C)c1O	ZINC000005110697	346210535	/nfs/dbraw/zinc/21/05/35/346210535.db2.gz	WBQLJQFQLBCBQB-GHDOEPQNSA-N	-1	0	262.353	2.586	20	30		CFEDRM
COCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188310125	232448618	/nfs/dbraw/zinc/44/86/18/232448618.db2.gz	CLZNBTPRFFGDOW-UHFFFAOYSA-N	-1	0	282.299	2.663	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188697906	232454360	/nfs/dbraw/zinc/45/43/60/232454360.db2.gz	KWJFCJIVNQLCFV-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000041562200	346352663	/nfs/dbraw/zinc/35/26/63/346352663.db2.gz	SDFOENBGNQKPMO-NSHDSACASA-N	-1	0	299.355	2.848	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C	ZINC000047365333	346449672	/nfs/dbraw/zinc/44/96/72/346449672.db2.gz	MQLJXDNUVAVPMZ-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCC3)cc1	ZINC000107892674	347736689	/nfs/dbraw/zinc/73/66/89/347736689.db2.gz	JAGANBXGAISWFF-ZDUSSCGKSA-N	-1	0	253.305	2.841	20	30		CFEDRM
Cc1nnc(NC[C@H](CC(=O)[O-])CC(C)C)c(C#N)c1C	ZINC000124844977	347826396	/nfs/dbraw/zinc/82/63/96/347826396.db2.gz	NNVCCXONXFAZLJ-LBPRGKRZSA-N	-1	0	290.367	2.514	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000273439815	192151460	/nfs/dbraw/zinc/15/14/60/192151460.db2.gz	QSRAMQFMVGWGJH-UHFFFAOYSA-N	-1	0	273.254	2.848	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]c(C3CCC3)no2)cc1Cl	ZINC000590701121	348930826	/nfs/dbraw/zinc/93/08/26/348930826.db2.gz	LRFQBPOKMABDIW-UHFFFAOYSA-N	-1	0	288.738	2.896	20	30		CFEDRM
[O-]/C(=N/[C@@H]1CCC[NH+]=C1[O-])Nc1nc2ccsc2s1	ZINC000329406472	539698532	/nfs/dbraw/zinc/69/85/32/539698532.db2.gz	CBUUSWQQFNGKGY-ZCFIWIBFSA-N	-1	0	296.377	2.803	20	30		CFEDRM
N#Cc1c(NCCCCC(=O)[O-])nc2cc(Cl)ccn21	ZINC000591326703	349010062	/nfs/dbraw/zinc/01/00/62/349010062.db2.gz	INJUOGHEGHENDO-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
Cc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)s1	ZINC000329775186	539727607	/nfs/dbraw/zinc/72/76/07/539727607.db2.gz	MYJYDOKWYQNNLG-GARJFASQSA-N	-1	0	280.397	2.563	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1	ZINC000593773321	349322783	/nfs/dbraw/zinc/32/27/83/349322783.db2.gz	HTANEDVXNNRFDR-UHFFFAOYSA-N	-1	0	296.729	2.998	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000597996705	350175565	/nfs/dbraw/zinc/17/55/65/350175565.db2.gz	ARURGLKKCWNKNB-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
C[C@@]1(C#N)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000598415192	350263310	/nfs/dbraw/zinc/26/33/10/350263310.db2.gz	NGNIPULHBRXOHW-ZDUSSCGKSA-N	-1	0	282.702	2.560	20	30		CFEDRM
CC(C)(CC#N)CN=c1nc(Cc2ccc(F)cc2)o[n-]1	ZINC000598629829	350297160	/nfs/dbraw/zinc/29/71/60/350297160.db2.gz	RJQHXMWSTMMPLL-UHFFFAOYSA-N	-1	0	288.326	2.573	20	30		CFEDRM
CCCC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)C(C)C	ZINC000598663025	350305722	/nfs/dbraw/zinc/30/57/22/350305722.db2.gz	KHNJRTSIEMVYGE-SNVBAGLBSA-N	-1	0	273.340	2.554	20	30		CFEDRM
CCCC[C@@H](C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)C(C)C	ZINC000598734700	350323298	/nfs/dbraw/zinc/32/32/98/350323298.db2.gz	KCQHDMARVXTDGS-GFCCVEGCSA-N	-1	0	288.395	2.982	20	30		CFEDRM
CCCC[C@H](Sc1cc(C)ncc1C#N)C(=O)[O-]	ZINC000600676077	350595493	/nfs/dbraw/zinc/59/54/93/350595493.db2.gz	STDWEPLZTSCHTC-NSHDSACASA-N	-1	0	264.350	2.997	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2nc3c(cccc3C(=O)OC)[nH]2)C1	ZINC000601353727	350725804	/nfs/dbraw/zinc/72/58/04/350725804.db2.gz	RLPCUNRMVMKLED-UHFFFAOYSA-N	-1	0	299.330	2.644	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCC[C@H]1C#N	ZINC000601816930	350783774	/nfs/dbraw/zinc/78/37/74/350783774.db2.gz	HWIPCODTFPDDSJ-QPUJVOFHSA-N	-1	0	296.729	2.949	20	30		CFEDRM
Cc1[n-]n(Cc2cccc(Cl)c2)c(=O)c1CCC#N	ZINC000601938240	350810227	/nfs/dbraw/zinc/81/02/27/350810227.db2.gz	FBAUHMICZJABJP-CYBMUJFWSA-N	-1	0	275.739	2.978	20	30		CFEDRM
Cc1[n-]n(Cc2cc(F)ccc2F)c(=O)c1CCC#N	ZINC000601939344	350810439	/nfs/dbraw/zinc/81/04/39/350810439.db2.gz	NSDFUTGFJGEDTH-LBPRGKRZSA-N	-1	0	277.274	2.603	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)o1	ZINC000601940051	350811377	/nfs/dbraw/zinc/81/13/77/350811377.db2.gz	QSACYVAHTSEOTG-QWRGUYRKSA-N	-1	0	286.335	2.630	20	30		CFEDRM
C=CCN(C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000602010532	350829886	/nfs/dbraw/zinc/82/98/86/350829886.db2.gz	QFNGSSIGURWVGU-NEPJUHHUSA-N	-1	0	293.388	2.800	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1CCC#N	ZINC000603921300	351192111	/nfs/dbraw/zinc/19/21/11/351192111.db2.gz	PUNJHTLSPRFLSH-LLVKDONJSA-N	-1	0	277.274	2.603	20	30		CFEDRM
CCN=c1[n-]nc(S[C@@H](C#N)Cc2ccccc2)s1	ZINC000609265851	351493976	/nfs/dbraw/zinc/49/39/76/351493976.db2.gz	DGRHTXHESDZKJH-LLVKDONJSA-N	-1	0	290.417	2.619	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(C(C)C)on1	ZINC000291910581	198102131	/nfs/dbraw/zinc/10/21/31/198102131.db2.gz	SEVIAHYCASMKSV-UHFFFAOYSA-N	-1	0	258.343	2.506	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)nc(C)n1	ZINC000613296382	351934298	/nfs/dbraw/zinc/93/42/98/351934298.db2.gz	VEELEIIOKMVASX-LLVKDONJSA-N	-1	0	297.362	2.604	20	30		CFEDRM
C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc(O)cc(C#N)c1	ZINC000614371740	352086310	/nfs/dbraw/zinc/08/63/10/352086310.db2.gz	VCUVIMMDFQOPKC-NSHDSACASA-N	-1	0	296.326	2.803	20	30		CFEDRM
COc1ccccc1N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000615427313	352192118	/nfs/dbraw/zinc/19/21/18/352192118.db2.gz	IZDACRAMMNZPLC-UHFFFAOYSA-N	-1	0	282.299	2.549	20	30		CFEDRM
CSc1ccncc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000615432124	352192424	/nfs/dbraw/zinc/19/24/24/352192424.db2.gz	YYPICZMVWMPXDR-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
C=CCCNC(=O)c1ccc(C(F)(F)F)c(O)c1	ZINC000617618326	352605800	/nfs/dbraw/zinc/60/58/00/352605800.db2.gz	LFLGDFCBKNWKCP-UHFFFAOYSA-N	-1	0	259.227	2.717	20	30		CFEDRM
C=CCOCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000618525882	352801043	/nfs/dbraw/zinc/80/10/43/352801043.db2.gz	IOVPWAYUZDQQTO-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
N#Cc1cc(F)c(CN=c2[n-]nc(C3CC3)s2)c(F)c1	ZINC000618678688	352857403	/nfs/dbraw/zinc/85/74/03/352857403.db2.gz	XJWXGOQPXZVBDI-UHFFFAOYSA-N	-1	0	292.314	2.599	20	30		CFEDRM
C=CCCC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000621582765	353381851	/nfs/dbraw/zinc/38/18/51/353381851.db2.gz	YCBZLSNXMGKWPH-UONOGXRCSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000621586279	353382260	/nfs/dbraw/zinc/38/22/60/353382260.db2.gz	XXOMLULQHBBRKU-AAEUAGOBSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC(C)(C)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000622163200	353488919	/nfs/dbraw/zinc/48/89/19/353488919.db2.gz	MHRJJMYPMFLJRC-UHFFFAOYSA-N	-1	0	267.398	2.699	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NCCCCCC(=O)[O-]	ZINC000626766323	354320707	/nfs/dbraw/zinc/32/07/07/354320707.db2.gz	AHOZAVIJWCSUNI-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000628489504	354606199	/nfs/dbraw/zinc/60/61/99/354606199.db2.gz	XVPQFXQLLVFZNE-CYBMUJFWSA-N	-1	0	297.358	2.616	20	30		CFEDRM
C=CCn1c(S[C@H]2CCCC[C@@H]2C)n[nH]c1=O	ZINC000629162727	354762678	/nfs/dbraw/zinc/76/26/78/354762678.db2.gz	ZVAHNPNACVNZLG-UWVGGRQHSA-N	-1	0	253.371	2.841	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000630229237	355030518	/nfs/dbraw/zinc/03/05/18/355030518.db2.gz	MVWPXYJCFMZIGM-UHFFFAOYSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1	ZINC000630230664	355031006	/nfs/dbraw/zinc/03/10/06/355031006.db2.gz	OMKLZWFPTUJAOP-CYBMUJFWSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000630288682	355038885	/nfs/dbraw/zinc/03/88/85/355038885.db2.gz	HMOWNZZEPLLBHH-CQSZACIVSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630182271	355024302	/nfs/dbraw/zinc/02/43/02/355024302.db2.gz	NDZFPISHKYMJKO-GXTWGEPZSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1oc(C(F)F)cc1C)C(=O)[O-]	ZINC000630182164	355024597	/nfs/dbraw/zinc/02/45/97/355024597.db2.gz	MUIRZIHOCCMFNW-QMMMGPOBSA-N	-1	0	287.262	2.675	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1	ZINC000630297985	355045340	/nfs/dbraw/zinc/04/53/40/355045340.db2.gz	UHXHMLWLTYWRQB-IHRRRGAJSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000630314528	355048746	/nfs/dbraw/zinc/04/87/46/355048746.db2.gz	TUGAXSGFULOWBG-UHFFFAOYSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000630315085	355048847	/nfs/dbraw/zinc/04/88/47/355048847.db2.gz	YPGUFCHKHDNYFX-UHFFFAOYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000630318639	355049354	/nfs/dbraw/zinc/04/93/54/355049354.db2.gz	KUHJGGXOCGIMCB-LLVKDONJSA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000630318195	355049388	/nfs/dbraw/zinc/04/93/88/355049388.db2.gz	FOEQOFAEURNPGU-ZETCQYMHSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000630318661	355049417	/nfs/dbraw/zinc/04/94/17/355049417.db2.gz	LJLCYBFWRFUGER-NEPJUHHUSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000630318563	355049504	/nfs/dbraw/zinc/04/95/04/355049504.db2.gz	JBPTYQZXYVGQEE-AWEZNQCLSA-N	-1	0	275.348	2.545	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000630318663	355049708	/nfs/dbraw/zinc/04/97/08/355049708.db2.gz	LJLCYBFWRFUGER-RYUDHWBXSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000630320171	355049965	/nfs/dbraw/zinc/04/99/65/355049965.db2.gz	QFGQCUPVEKHIQN-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-]	ZINC000630319640	355049986	/nfs/dbraw/zinc/04/99/86/355049986.db2.gz	DXPHMXOBHDQOAE-MRVPVSSYSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000630319944	355050040	/nfs/dbraw/zinc/05/00/40/355050040.db2.gz	LKYJRDDGQKKTCG-OCCSQVGLSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(CCC)s1)C(=O)[O-]	ZINC000630321344	355050722	/nfs/dbraw/zinc/05/07/22/355050722.db2.gz	HZPNRAAIELUAMM-NSHDSACASA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630322065	355050940	/nfs/dbraw/zinc/05/09/40/355050940.db2.gz	OXLXLTAECDOOEN-GXTWGEPZSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC1(C)CCCCC1)C(=O)[O-]	ZINC000630321055	355051014	/nfs/dbraw/zinc/05/10/14/355051014.db2.gz	DZMVHHDTDHRUDI-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000630322218	355051475	/nfs/dbraw/zinc/05/14/75/355051475.db2.gz	RDEGTEGVOZMVJS-QMMMGPOBSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000630322151	355051742	/nfs/dbraw/zinc/05/17/42/355051742.db2.gz	QAPMSKGZZHLHBR-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000630325041	355052197	/nfs/dbraw/zinc/05/21/97/355052197.db2.gz	GPNTZDIDQVRROO-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000630326457	355052260	/nfs/dbraw/zinc/05/22/60/355052260.db2.gz	QJJWUAJBKXOCEC-DZGCQCFKSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-]	ZINC000630542675	355107499	/nfs/dbraw/zinc/10/74/99/355107499.db2.gz	CQZGRFSLNASENG-GFCCVEGCSA-N	-1	0	262.309	2.536	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccc(CC)s1)C(=O)[O-]	ZINC000630471296	355091525	/nfs/dbraw/zinc/09/15/25/355091525.db2.gz	CDZKOOZVCYPVOB-GFCCVEGCSA-N	-1	0	296.392	2.529	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1csc(C)c1C)C(=O)[O-]	ZINC000630495672	355094822	/nfs/dbraw/zinc/09/48/22/355094822.db2.gz	RSVKMQLAESPRLR-GFCCVEGCSA-N	-1	0	296.392	2.584	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000630493717	355095321	/nfs/dbraw/zinc/09/53/21/355095321.db2.gz	CILMGECVXZNSIL-HNNXBMFYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCCN(C)C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000135968948	540108409	/nfs/dbraw/zinc/10/84/09/540108409.db2.gz	WSRSTRBZQRWPBQ-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000135011387	540192360	/nfs/dbraw/zinc/19/23/60/540192360.db2.gz	FTADUHRGCZOZIZ-HNNXBMFYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000633967157	356047572	/nfs/dbraw/zinc/04/75/72/356047572.db2.gz	GZRPJRMDGZAYGS-LLVKDONJSA-N	-1	0	271.345	2.981	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000685020123	540897651	/nfs/dbraw/zinc/89/76/51/540897651.db2.gz	PPDMYOXEBOSYDU-BLLLJJGKSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000393732642	541019282	/nfs/dbraw/zinc/01/92/82/541019282.db2.gz	AQCJCQZNTHTUQP-ZDUSSCGKSA-N	-1	0	276.336	2.539	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2occ3c2CCC3)nc(C)n1	ZINC000671749116	541071954	/nfs/dbraw/zinc/07/19/54/541071954.db2.gz	ACCBFTJLNQZLKC-ZDUSSCGKSA-N	-1	0	281.315	2.665	20	30		CFEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1ccccn1	ZINC000671749617	541073533	/nfs/dbraw/zinc/07/35/33/541073533.db2.gz	WGTUUQMQOFKTKX-GFCCVEGCSA-N	-1	0	252.273	2.653	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000276205751	193241801	/nfs/dbraw/zinc/24/18/01/193241801.db2.gz	KQHSQPKFRKMNIK-INIZCTEOSA-N	-1	0	291.347	2.762	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)[N-]OCc1ccc(F)cc1	ZINC000276318083	193285468	/nfs/dbraw/zinc/28/54/68/193285468.db2.gz	WMGAUWHOQIJXHU-HNNXBMFYSA-N	-1	0	281.327	2.602	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000019503102	372170112	/nfs/dbraw/zinc/17/01/12/372170112.db2.gz	CYDNYWQEVUNUKO-UHFFFAOYSA-N	-1	0	272.329	2.668	20	30		CFEDRM
N#Cc1nc(NC(=O)c2csc3ccccc23)[n-]c1C#N	ZINC000026268815	372315686	/nfs/dbraw/zinc/31/56/86/372315686.db2.gz	ZASQQHDELGVEOB-UHFFFAOYSA-N	-1	0	293.311	2.620	20	30		CFEDRM
N#Cc1nc(NC(=O)c2cc3ccccc3s2)[n-]c1C#N	ZINC000026271552	372316460	/nfs/dbraw/zinc/31/64/60/372316460.db2.gz	QBUMROSUVXDIKE-UHFFFAOYSA-N	-1	0	293.311	2.620	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)cc1	ZINC000043584993	372992823	/nfs/dbraw/zinc/99/28/23/372992823.db2.gz	RRDZQLGIWBYOKX-ZDUSSCGKSA-N	-1	0	258.321	2.639	20	30		CFEDRM
CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)s1	ZINC000048440756	373182412	/nfs/dbraw/zinc/18/24/12/373182412.db2.gz	SECGDHUKIQCPLP-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1ccccc1	ZINC000049513507	373305665	/nfs/dbraw/zinc/30/56/65/373305665.db2.gz	IPADDCXPIOFJDG-UHFFFAOYSA-N	-1	0	267.350	2.654	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514239	373306598	/nfs/dbraw/zinc/30/65/98/373306598.db2.gz	RVFSBIBOUXTSTO-UHFFFAOYSA-N	-1	0	261.387	2.899	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1	ZINC000123335300	376952185	/nfs/dbraw/zinc/95/21/85/376952185.db2.gz	DZQVAMUMZLUPKE-UHFFFAOYSA-N	-1	0	270.263	2.850	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC000679400178	542188537	/nfs/dbraw/zinc/18/85/37/542188537.db2.gz	MSZIXSXISWTXQP-ZDUSSCGKSA-N	-1	0	265.353	2.611	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CC[C@H](O)CC2)c1[O-]	ZINC000133111311	377905198	/nfs/dbraw/zinc/90/51/98/377905198.db2.gz	DJNLZLBBHFWIAS-IPUWSDAOSA-N	-1	0	298.726	2.676	20	30		CFEDRM
C[C@H](CC(C)(C)O)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000331338094	378673877	/nfs/dbraw/zinc/67/38/77/378673877.db2.gz	VVTSFTSXOFISAD-ZCFIWIBFSA-N	-1	0	291.269	2.664	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000334753984	379887848	/nfs/dbraw/zinc/88/78/48/379887848.db2.gz	GXQAIIUSXQLQQU-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)Nc1c(F)cc(Cl)cc1F	ZINC000335203021	380001439	/nfs/dbraw/zinc/00/14/39/380001439.db2.gz	JELBHEBVQWYBEG-SSDOTTSWSA-N	-1	0	294.710	2.662	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1	ZINC000335942334	380135523	/nfs/dbraw/zinc/13/55/23/380135523.db2.gz	ZZSLKWSCKRVAHA-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CC(C)(CCNc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000336789432	380635724	/nfs/dbraw/zinc/63/57/24/380635724.db2.gz	SWXWNYWVRBFOAH-UHFFFAOYSA-N	-1	0	250.273	2.610	20	30		CFEDRM
C=CCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180783513	380699488	/nfs/dbraw/zinc/69/94/88/380699488.db2.gz	VGCPOMUKAWAHNV-UHFFFAOYSA-N	-1	0	270.672	2.859	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)c1ccncn1	ZINC000354053923	381047636	/nfs/dbraw/zinc/04/76/36/381047636.db2.gz	PSZCVLBTYQYRGK-LBPRGKRZSA-N	-1	0	269.304	2.992	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1ccc(C(=O)[O-])cc1	ZINC000347455564	381164263	/nfs/dbraw/zinc/16/42/63/381164263.db2.gz	XIYXLXYEIOIMBR-RJRFIUFISA-N	-1	0	250.257	2.822	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183345721	381258041	/nfs/dbraw/zinc/25/80/41/381258041.db2.gz	CCGFWOIDKNTQJK-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
COc1cc(Cl)ccc1C([O-])=C(C#N)c1ccncn1	ZINC000354454786	381279215	/nfs/dbraw/zinc/27/92/15/381279215.db2.gz	AHNMVOJGSDAJNS-LLVKDONJSA-N	-1	0	287.706	2.629	20	30		CFEDRM
COc1cc(Cl)ccc1C([O-])=C(C#N)c1ccncn1	ZINC000354454787	381280981	/nfs/dbraw/zinc/28/09/81/381280981.db2.gz	AHNMVOJGSDAJNS-NSHDSACASA-N	-1	0	287.706	2.629	20	30		CFEDRM
CC(C)Cc1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354460188	381284927	/nfs/dbraw/zinc/28/49/27/381284927.db2.gz	FPSSFVVKNSVFCQ-JTQLQIEISA-N	-1	0	286.360	2.622	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn3ccccc23)n1	ZINC000342760406	381521343	/nfs/dbraw/zinc/52/13/43/381521343.db2.gz	ZPDBSMGMGSRMHB-JTQLQIEISA-N	-1	0	282.328	2.589	20	30		CFEDRM
CC(C)Cn1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cn1	ZINC000359793606	381613570	/nfs/dbraw/zinc/61/35/70/381613570.db2.gz	NXTZWGVTZMEWTD-HYXAFXHYSA-N	-1	0	296.330	2.674	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000185602617	381678992	/nfs/dbraw/zinc/67/89/92/381678992.db2.gz	NAJOEZHQNOEIOC-SNVBAGLBSA-N	-1	0	287.319	2.571	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1cccc(CC(C)C)c1	ZINC000291299470	381740834	/nfs/dbraw/zinc/74/08/34/381740834.db2.gz	QLUZGKIWAFLLDU-ZDUSSCGKSA-N	-1	0	259.349	2.670	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)C(C)C	ZINC000291342443	381753425	/nfs/dbraw/zinc/75/34/25/381753425.db2.gz	WBYLCJPFXUILRY-CYBMUJFWSA-N	-1	0	265.740	2.761	20	30		CFEDRM
C#CCO[N-]C(=O)C(C)(C)c1cccc(C(F)(F)F)c1	ZINC000291350387	381756961	/nfs/dbraw/zinc/75/69/61/381756961.db2.gz	XEQVXOXGIFIACT-UHFFFAOYSA-N	-1	0	285.265	2.664	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)co1	ZINC000361519640	381838839	/nfs/dbraw/zinc/83/88/39/381838839.db2.gz	PAURMMOJOAVWPJ-JTQLQIEISA-N	-1	0	292.298	2.670	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1	ZINC000361541762	381841758	/nfs/dbraw/zinc/84/17/58/381841758.db2.gz	SPMYOAHNDVWUHM-GFCCVEGCSA-N	-1	0	288.310	2.823	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)nc1	ZINC000361959294	381874910	/nfs/dbraw/zinc/87/49/10/381874910.db2.gz	LGGWEHIVSPMULE-LLVKDONJSA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC(=O)CC(C)(C)C)s1	ZINC000343839755	381975119	/nfs/dbraw/zinc/97/51/19/381975119.db2.gz	LYIGWROBBMRNTR-UHFFFAOYSA-N	-1	0	285.438	2.655	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](CC(C)C)c2ccccc2)c1C#N	ZINC000357162524	382033080	/nfs/dbraw/zinc/03/30/80/382033080.db2.gz	IFKZHFDHOWULIU-CQSZACIVSA-N	-1	0	296.374	2.780	20	30		CFEDRM
Cc1nc(=N[C@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419011570	382215531	/nfs/dbraw/zinc/21/55/31/382215531.db2.gz	AUYHOAGMTCJFKW-ZDUSSCGKSA-N	-1	0	270.361	2.630	20	30		CFEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000345838445	382316924	/nfs/dbraw/zinc/31/69/24/382316924.db2.gz	DAFOJDIAGQXHPU-GFCCVEGCSA-N	-1	0	267.712	2.548	20	30		CFEDRM
C=CCCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000306067137	382451114	/nfs/dbraw/zinc/45/11/14/382451114.db2.gz	YMFWHEYEYSIJRT-UHFFFAOYSA-N	-1	0	261.321	2.698	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)n1	ZINC000188775671	382474175	/nfs/dbraw/zinc/47/41/75/382474175.db2.gz	MOTGLVXAHLIODY-UHFFFAOYSA-N	-1	0	267.288	2.528	20	30		CFEDRM
C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(C#N)c(O)c2)C1	ZINC000189006760	382522722	/nfs/dbraw/zinc/52/27/22/382522722.db2.gz	YBHJVOSJKOSOHG-VXGBXAGGSA-N	-1	0	272.348	2.772	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	ZINC000398087933	382635060	/nfs/dbraw/zinc/63/50/60/382635060.db2.gz	MYVANBLOBHCGPP-XDQVBPFNSA-N	-1	0	294.395	2.626	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000191041810	382689068	/nfs/dbraw/zinc/68/90/68/382689068.db2.gz	IKIBOXFMUAIPNH-SUMWQHHRSA-N	-1	0	287.359	2.670	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C)s2)n1	ZINC000194678226	382751859	/nfs/dbraw/zinc/75/18/59/382751859.db2.gz	CLLJIKTZRCRUSH-MRVPVSSYSA-N	-1	0	263.347	2.707	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1C#N	ZINC000577054065	382846040	/nfs/dbraw/zinc/84/60/40/382846040.db2.gz	WRFJBCBORSFCME-UONOGXRCSA-N	-1	0	294.358	2.534	20	30		CFEDRM
CCN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000577884083	382874730	/nfs/dbraw/zinc/87/47/30/382874730.db2.gz	BBFAYFQCBUEWHQ-UHFFFAOYSA-N	-1	0	286.253	2.787	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000237946923	382975421	/nfs/dbraw/zinc/97/54/21/382975421.db2.gz	PSNXOLUDZLGSSC-UHFFFAOYSA-N	-1	0	283.711	2.708	20	30		CFEDRM
N#CC1CCC(CN=c2nc(C3CC3)[n-]s2)CC1	ZINC000579913340	383064411	/nfs/dbraw/zinc/06/44/11/383064411.db2.gz	DAUQSNZTOCGGGC-UHFFFAOYSA-N	-1	0	262.382	2.579	20	30		CFEDRM
C=CCCCCCNC(=O)N(CC(=O)[O-])[C@H](C)CC	ZINC000580090681	383077364	/nfs/dbraw/zinc/07/73/64/383077364.db2.gz	GJNVROKPNQPZTG-GFCCVEGCSA-N	-1	0	270.373	2.628	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-]	ZINC000448989163	383124173	/nfs/dbraw/zinc/12/41/73/383124173.db2.gz	CQZFNCKSTNQKHG-VIFPVBQESA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000448995916	383126357	/nfs/dbraw/zinc/12/63/57/383126357.db2.gz	RHIWYVPJPMTQGJ-TZMCWYRMSA-N	-1	0	275.348	2.634	20	30		CFEDRM
Cc1[n-]n(-c2cccc3cnccc32)c(=O)c1CCC#N	ZINC000601962091	383130411	/nfs/dbraw/zinc/13/04/11/383130411.db2.gz	YIGQKHQLUUYRDZ-ZDUSSCGKSA-N	-1	0	278.315	2.877	20	30		CFEDRM
N#Cc1ccc2c(c1)N(Cc1cc([O-])ccc1[N+](=O)[O-])CC2	ZINC000339055633	383134839	/nfs/dbraw/zinc/13/48/39/383134839.db2.gz	RKNWNESLHUBSGS-UHFFFAOYSA-N	-1	0	295.298	2.735	20	30		CFEDRM
CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000553483759	383110002	/nfs/dbraw/zinc/11/00/02/383110002.db2.gz	YMDDAVRSXWIMBI-WCQYABFASA-N	-1	0	296.392	2.788	20	30		CFEDRM
N#Cc1c(F)cccc1-c1nc2n(c1C(=O)[O-])CCCC2	ZINC000566808487	383213943	/nfs/dbraw/zinc/21/39/43/383213943.db2.gz	RBTVKZSCOJUSMD-UHFFFAOYSA-N	-1	0	285.278	2.595	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC000556680238	383151986	/nfs/dbraw/zinc/15/19/86/383151986.db2.gz	UBQLPAYZMKYATO-VXGBXAGGSA-N	-1	0	282.384	2.768	20	30		CFEDRM
CC(C)c1nc(=NCC(C)(C)CCC#N)s[n-]1	ZINC000561697808	383155222	/nfs/dbraw/zinc/15/52/22/383155222.db2.gz	XQMFBIJHRGOKEV-UHFFFAOYSA-N	-1	0	252.387	2.825	20	30		CFEDRM
CCCN=c1[n-]nc(Sc2cc(C)ncc2C#N)s1	ZINC000425212798	383341970	/nfs/dbraw/zinc/34/19/70/383341970.db2.gz	XHEMAHNBAVFCTQ-UHFFFAOYSA-N	-1	0	291.405	2.508	20	30		CFEDRM
C=CCCOCCN=c1[n-]c(-c2cccc(Cl)c2)no1	ZINC000339702989	383291131	/nfs/dbraw/zinc/29/11/31/383291131.db2.gz	SWAPVEVPPLXMMI-UHFFFAOYSA-N	-1	0	293.754	2.817	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC#Cc2ccccc2)s1	ZINC000478526332	383395135	/nfs/dbraw/zinc/39/51/35/383395135.db2.gz	JSJVRYGXEGFUQK-UHFFFAOYSA-N	-1	0	287.413	2.702	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634899784	383397559	/nfs/dbraw/zinc/39/75/59/383397559.db2.gz	VDHRHUKGMPIQAI-SMDDNHRTSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C(C)(C)CCC(=O)[O-])C1	ZINC000634928608	383408319	/nfs/dbraw/zinc/40/83/19/383408319.db2.gz	QUCZPGZWLBMWOW-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(CC(=O)[O-])CCC1	ZINC000634932197	383410484	/nfs/dbraw/zinc/41/04/84/383410484.db2.gz	VEZXNOULHUUOIX-BETUJISGSA-N	-1	0	277.364	2.731	20	30		CFEDRM
C=C(CC)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634840501	383375570	/nfs/dbraw/zinc/37/55/70/383375570.db2.gz	NOSIYBVEKLOPMA-INIZCTEOSA-N	-1	0	293.338	2.641	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000634847488	383378852	/nfs/dbraw/zinc/37/88/52/383378852.db2.gz	IBWDZEFAPNZGCZ-UHFFFAOYSA-N	-1	0	297.301	2.995	20	30		CFEDRM
C=CCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(C(C)C)cc1	ZINC000634851768	383381605	/nfs/dbraw/zinc/38/16/05/383381605.db2.gz	XAPZIHPLNDTBAY-QGZVFWFLSA-N	-1	0	289.375	2.845	20	30		CFEDRM
N#Cc1csc(/C=C\c2cc(C(=O)[O-])ccn2)c1	ZINC000340594270	383481795	/nfs/dbraw/zinc/48/17/95/383481795.db2.gz	MEAFGZCEVHJSKJ-UPHRSURJSA-N	-1	0	256.286	2.883	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)s1	ZINC000340592825	383481818	/nfs/dbraw/zinc/48/18/18/383481818.db2.gz	WJMGLLLGEKRDHA-UPHRSURJSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=C(C)CCN=c1[n-]c(-c2ccc(OC)cc2)no1	ZINC000450716371	383483219	/nfs/dbraw/zinc/48/32/19/383483219.db2.gz	JRUXQYINIVIBNA-UHFFFAOYSA-N	-1	0	259.309	2.545	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCCCCC(C)=O)s1	ZINC000450606071	383477974	/nfs/dbraw/zinc/47/79/74/383477974.db2.gz	CGZAQXZZIHOGPJ-UHFFFAOYSA-N	-1	0	285.438	2.799	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)c(F)cc1C(=O)[O-]	ZINC000634945129	383416852	/nfs/dbraw/zinc/41/68/52/383416852.db2.gz	LPHVPGQBXYHSMG-SECBINFHSA-N	-1	0	295.285	2.844	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634947784	383417554	/nfs/dbraw/zinc/41/75/54/383417554.db2.gz	XPCGGCCUMDDFLZ-OLZOCXBDSA-N	-1	0	279.380	2.762	20	30		CFEDRM
C=CC(C)(C)CN=c1[n-]nc(-c2ccccn2)s1	ZINC000450728135	383484461	/nfs/dbraw/zinc/48/44/61/383484461.db2.gz	JVZLUXVAKQBLOV-UHFFFAOYSA-N	-1	0	260.366	2.646	20	30		CFEDRM
CC(=O)c1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000340884055	383498809	/nfs/dbraw/zinc/49/88/09/383498809.db2.gz	UQHQEDSSZYZUII-OAHLLOKOSA-N	-1	0	293.326	2.786	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cncs1	ZINC000429675400	383556909	/nfs/dbraw/zinc/55/69/09/383556909.db2.gz	NACHNALTRMULLX-VIFPVBQESA-N	-1	0	282.328	2.520	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000262953585	383647141	/nfs/dbraw/zinc/64/71/41/383647141.db2.gz	QWVCTZJGEZJTGM-HUUCEWRRSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1	ZINC000573120037	383876550	/nfs/dbraw/zinc/87/65/50/383876550.db2.gz	CCMDWXNLVQOILF-ZDUSSCGKSA-N	-1	0	277.320	2.547	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1ccc(F)cc1[O-]	ZINC000436734436	383885078	/nfs/dbraw/zinc/88/50/78/383885078.db2.gz	ANLQVCBCNGXWDX-UHFFFAOYSA-N	-1	0	264.300	2.591	20	30		CFEDRM
C=CCN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1	ZINC000641897372	384390305	/nfs/dbraw/zinc/39/03/05/384390305.db2.gz	RKPYUMJJCHBQGC-UHFFFAOYSA-N	-1	0	282.299	2.613	20	30		CFEDRM
C=CCOCCN=c1nc(C2CCCCC2)[n-]s1	ZINC000643187541	384505935	/nfs/dbraw/zinc/50/59/35/384505935.db2.gz	QGOHXMPAWWNKBG-UHFFFAOYSA-N	-1	0	267.398	2.622	20	30		CFEDRM
CCCC1(C/N=C/c2c(O)c(C)ncc2CO)CC1	ZINC000268477009	384625610	/nfs/dbraw/zinc/62/56/10/384625610.db2.gz	ZJCZEVYGBPTZEV-LZYBPNLTSA-N	-1	0	262.353	2.587	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000643343347	384595712	/nfs/dbraw/zinc/59/57/12/384595712.db2.gz	URIZMZPCCGKFRT-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000271935199	385405495	/nfs/dbraw/zinc/40/54/95/385405495.db2.gz	BWCWYKACGMIPNN-CYBMUJFWSA-N	-1	0	285.384	2.509	20	30		CFEDRM
C=CCCCCNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000274767475	385867285	/nfs/dbraw/zinc/86/72/85/385867285.db2.gz	ZPYKMMFNBFPIRN-UHFFFAOYSA-N	-1	0	299.374	2.560	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000681353166	542442445	/nfs/dbraw/zinc/44/24/45/542442445.db2.gz	ICUOSIKMRJHFEX-JTQLQIEISA-N	-1	0	280.287	2.534	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000681353178	542442510	/nfs/dbraw/zinc/44/25/10/542442510.db2.gz	ICUOSIKMRJHFEX-SNVBAGLBSA-N	-1	0	280.287	2.534	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000262531136	131230195	/nfs/dbraw/zinc/23/01/95/131230195.db2.gz	IJGDKUZMYLIFNK-OAGGEKHMSA-N	-1	0	299.370	2.758	20	30		CFEDRM
C=CCOc1cccc(NC(=O)CCCCC(=O)[O-])c1	ZINC000263338485	131289922	/nfs/dbraw/zinc/28/99/22/131289922.db2.gz	WVZQLGZKKKEYRI-UHFFFAOYSA-N	-1	0	277.320	2.835	20	30		CFEDRM
C#CC[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC000263330319	131290167	/nfs/dbraw/zinc/29/01/67/131290167.db2.gz	USAYEWUEZPEALT-CQSZACIVSA-N	-1	0	273.332	2.512	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000178768965	393449590	/nfs/dbraw/zinc/44/95/90/393449590.db2.gz	WXPIAZQVUPPWCC-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000329511645	393540095	/nfs/dbraw/zinc/54/00/95/393540095.db2.gz	KRMAHBRZFUGSIO-GFCCVEGCSA-N	-1	0	296.330	2.757	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(F)c([O-])c(F)c1	ZINC000183388186	393519914	/nfs/dbraw/zinc/51/99/14/393519914.db2.gz	MKAWUBNVSQYPOO-UHFFFAOYSA-N	-1	0	255.264	2.709	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc(F)c2C#N)n1	ZINC000188646758	393565636	/nfs/dbraw/zinc/56/56/36/393565636.db2.gz	MMNJJXDXAPVRIX-LLVKDONJSA-N	-1	0	285.303	2.952	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000334260434	393586823	/nfs/dbraw/zinc/58/68/23/393586823.db2.gz	RRQMMWVEGHLQDZ-UHFFFAOYSA-N	-1	0	284.718	2.806	20	30		CFEDRM
CC[C@@H](CC(F)F)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000410542793	393629452	/nfs/dbraw/zinc/62/94/52/393629452.db2.gz	WAMUOPRJCWZCCQ-VIFPVBQESA-N	-1	0	298.337	2.552	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)CCc1ccccc1	ZINC000074932507	393667410	/nfs/dbraw/zinc/66/74/10/393667410.db2.gz	PXDZLCHYOIIKPY-UHFFFAOYSA-N	-1	0	286.356	2.543	20	30		CFEDRM
CCc1onc(C)c1[N-]C(=O)c1c(F)cc(C#N)cc1F	ZINC000089396894	393766528	/nfs/dbraw/zinc/76/65/28/393766528.db2.gz	SWOZFQGCUIECRD-UHFFFAOYSA-N	-1	0	291.257	2.948	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]nc(C2CCOCC2)s1	ZINC000338722589	393797219	/nfs/dbraw/zinc/79/72/19/393797219.db2.gz	DFDIRQDPPNEOCX-UHFFFAOYSA-N	-1	0	294.424	2.596	20	30		CFEDRM
CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000436968651	394039445	/nfs/dbraw/zinc/03/94/45/394039445.db2.gz	UYMABKYNGXROBA-YRNVUSSQSA-N	-1	0	295.342	2.833	20	30		CFEDRM
C=CCC[C@@H](C(=O)N=c1[nH][n-]c(C)c1C#N)c1ccccc1	ZINC000357242643	394085534	/nfs/dbraw/zinc/08/55/34/394085534.db2.gz	LLMMXNGTLFUIIF-CQSZACIVSA-N	-1	0	294.358	2.700	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)cc2)c1	ZINC000436862316	394029973	/nfs/dbraw/zinc/02/99/73/394029973.db2.gz	NIEPCCOLTZGZCC-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1ccc2[nH]c(OCC)nc2c1	ZINC000359398046	394132659	/nfs/dbraw/zinc/13/26/59/394132659.db2.gz	DTUGKCRKPPHFRU-UHFFFAOYSA-N	-1	0	298.346	2.503	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000685019421	542888389	/nfs/dbraw/zinc/88/83/89/542888389.db2.gz	UNPXXSOBDUPSHI-MNOVXSKESA-N	-1	0	281.377	2.982	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647378221	395320517	/nfs/dbraw/zinc/32/05/17/395320517.db2.gz	FTIPNJFYQZWHSI-NSHDSACASA-N	-1	0	271.345	2.849	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1	ZINC000647379026	395320528	/nfs/dbraw/zinc/32/05/28/395320528.db2.gz	WHHQEELNWJEEQJ-LLVKDONJSA-N	-1	0	298.371	2.917	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1	ZINC000649242979	395459510	/nfs/dbraw/zinc/45/95/10/395459510.db2.gz	FWQAJKCLFQJFNQ-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=CC[C@H]1CCCN(c2ccc(C(=O)[O-])c(OC)n2)C1	ZINC000656783710	413219641	/nfs/dbraw/zinc/21/96/41/413219641.db2.gz	SVRLMVPPNQMIOF-NSHDSACASA-N	-1	0	276.336	2.581	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccccc1F	ZINC000356220368	155185900	/nfs/dbraw/zinc/18/59/00/155185900.db2.gz	MOTLFXYGAWYHFT-ALCCZGGFSA-N	-1	0	268.247	2.961	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000653344065	413295811	/nfs/dbraw/zinc/29/58/11/413295811.db2.gz	MTIZBCWFMFCGBR-JSGCOSHPSA-N	-1	0	275.348	2.668	20	30		CFEDRM
CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000035411083	172182320	/nfs/dbraw/zinc/18/23/20/172182320.db2.gz	ZCABVVYVIQXQHD-SNVBAGLBSA-N	-1	0	272.226	2.852	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000655564884	414327697	/nfs/dbraw/zinc/32/76/97/414327697.db2.gz	UCEQCIVCIOTKMP-ZFWWWQNUSA-N	-1	0	289.375	2.819	20	30		CFEDRM
C=CCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000659170244	414461298	/nfs/dbraw/zinc/46/12/98/414461298.db2.gz	JZODVJKYWYUGHI-SNVBAGLBSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000659169514	414461316	/nfs/dbraw/zinc/46/13/16/414461316.db2.gz	DLXNVKNJIKRTDE-NSHDSACASA-N	-1	0	291.322	2.952	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC000659244190	414477393	/nfs/dbraw/zinc/47/73/93/414477393.db2.gz	WGZLYEDGLFXRDU-UHFFFAOYSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(C(=O)[O-])s1	ZINC000659244093	414477691	/nfs/dbraw/zinc/47/76/91/414477691.db2.gz	DFONQUVASFXQSP-UHFFFAOYSA-N	-1	0	267.350	2.921	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)NCCCCCC(=O)[O-])C1	ZINC000659407260	414517005	/nfs/dbraw/zinc/51/70/05/414517005.db2.gz	ZHGMNORLGAUUPK-ZDUSSCGKSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)NCC(CC)(CC)C(=O)[O-])C1	ZINC000659408721	414517428	/nfs/dbraw/zinc/51/74/28/414517428.db2.gz	CSJJVFHELCZTJL-CYBMUJFWSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CC1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1	ZINC000659417803	414517976	/nfs/dbraw/zinc/51/79/76/414517976.db2.gz	STJMNWBIOZYBOV-AWEZNQCLSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1(C(=O)[O-])CCC1	ZINC000659423792	414519904	/nfs/dbraw/zinc/51/99/04/414519904.db2.gz	PJKJXUSEAVCCFS-STQMWFEESA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C1	ZINC000663126367	414654041	/nfs/dbraw/zinc/65/40/41/414654041.db2.gz	IIAMYIVGAUKSHI-NEPJUHHUSA-N	-1	0	267.369	2.548	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ncn1	ZINC001243153972	782022770	/nfs/dbraw/zinc/02/27/70/782022770.db2.gz	PULGABHILABZNK-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)oc2C)n1	ZINC000344636361	225110272	/nfs/dbraw/zinc/11/02/72/225110272.db2.gz	OBDJFXURPDBKSI-VIFPVBQESA-N	-1	0	261.306	2.546	20	30		CFEDRM
C=CCCOCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000154800345	261095485	/nfs/dbraw/zinc/09/54/85/261095485.db2.gz	DBFFKVSCYWZDHE-OQLLNIDSSA-N	-1	0	298.726	2.965	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000173901345	261173410	/nfs/dbraw/zinc/17/34/10/261173410.db2.gz	CKKLTLKAZVHLCB-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(C)cc(C(=O)[O-])c1	ZINC001243176445	782037524	/nfs/dbraw/zinc/03/75/24/782037524.db2.gz	BHDDNILPPCYWJY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000192485590	262203952	/nfs/dbraw/zinc/20/39/52/262203952.db2.gz	SLXQPRSHUCBZEZ-MRVPVSSYSA-N	-1	0	270.691	2.607	20	30		CFEDRM
C[C@@H]1C[C@@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000273317534	263015376	/nfs/dbraw/zinc/01/53/76/263015376.db2.gz	FATZZXSRCGZLDS-GIBJHAEVSA-N	-1	0	292.335	2.925	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000295517263	263178766	/nfs/dbraw/zinc/17/87/66/263178766.db2.gz	IDFZALASDYZFFW-WPRPVWTQSA-N	-1	0	296.729	2.997	20	30		CFEDRM
N#C[C@@H](NC(=O)c1c(O)cccc1F)C1CCCCC1	ZINC000187689883	263265504	/nfs/dbraw/zinc/26/55/04/263265504.db2.gz	BNTMIVBMOIBKMA-GFCCVEGCSA-N	-1	0	276.311	2.734	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1	ZINC000340887750	263312262	/nfs/dbraw/zinc/31/22/62/263312262.db2.gz	XIIMKGXURDIKMN-HNNXBMFYSA-N	-1	0	293.326	2.786	20	30		CFEDRM
CC(C)(CO)C(C)(C)NC(=O)c1cc(F)c([O-])c(F)c1	ZINC000331248425	264180238	/nfs/dbraw/zinc/18/02/38/264180238.db2.gz	UPUYRXVOWQRRTE-UHFFFAOYSA-N	-1	0	287.306	2.772	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000331304926	264201506	/nfs/dbraw/zinc/20/15/06/264201506.db2.gz	FVIAGKNQMLBVRO-MNOVXSKESA-N	-1	0	285.702	2.833	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001243178426	782038117	/nfs/dbraw/zinc/03/81/17/782038117.db2.gz	HTTKJVXIBOLFMJ-UHFFFAOYSA-N	-1	0	267.288	2.584	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccnc(CC#N)c2)c1	ZINC001243178390	782038476	/nfs/dbraw/zinc/03/84/76/782038476.db2.gz	PGTMBZAMSLAATE-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356792810	266175711	/nfs/dbraw/zinc/17/57/11/266175711.db2.gz	VGAUGWVPRBNLCM-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
CCCc1nc(=NCC(C)(C)CCC#N)s[n-]1	ZINC000359955242	266662082	/nfs/dbraw/zinc/66/20/82/266662082.db2.gz	TUBLOLJLDIQPMC-UHFFFAOYSA-N	-1	0	252.387	2.654	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nccc(C#N)c2F)c1	ZINC001243178850	782039815	/nfs/dbraw/zinc/03/98/15/782039815.db2.gz	QJWCXNWZSINXRD-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc3cc(C#N)ccc3n2)C1	ZINC000518959736	267781748	/nfs/dbraw/zinc/78/17/48/267781748.db2.gz	JDJFRZSQHDDBQK-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C#N)c(F)n2)c1	ZINC001243179753	782040442	/nfs/dbraw/zinc/04/04/42/782040442.db2.gz	YQQYKSBHCKKGGI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2o1	ZINC000429701225	268207246	/nfs/dbraw/zinc/20/72/46/268207246.db2.gz	TUFBDXAVRQAVHB-JTQLQIEISA-N	-1	0	277.239	2.783	20	30		CFEDRM
C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)c2ccccc2O1	ZINC000442648256	277853694	/nfs/dbraw/zinc/85/36/94/277853694.db2.gz	KLRUGBHNNVXKNI-LLVKDONJSA-N	-1	0	294.310	2.692	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cccc(OCCC(=O)[O-])c2)nc1	ZINC000255668623	281105375	/nfs/dbraw/zinc/10/53/75/281105375.db2.gz	CPXCIRCXOPVSNP-XQRVVYSFSA-N	-1	0	294.310	2.977	20	30		CFEDRM
Cc1ccc(-c2ccc(CC#N)nc2)cc1C(=O)[O-]	ZINC001243194186	782054102	/nfs/dbraw/zinc/05/41/02/782054102.db2.gz	DIUAVLLVRVTURS-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2ccc(C#N)c(C)n2)cc1C(=O)[O-]	ZINC001243193908	782054081	/nfs/dbraw/zinc/05/40/81/782054081.db2.gz	UAZNDJMFXIURFE-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(-c2cc3nc[nH]c3c(C#N)n2)cc1C(=O)[O-]	ZINC001243194994	782055882	/nfs/dbraw/zinc/05/58/82/782055882.db2.gz	FRJGSIRLOPMKBV-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000062784851	303191746	/nfs/dbraw/zinc/19/17/46/303191746.db2.gz	KVNIHCNTZKCZND-SNVBAGLBSA-N	-1	0	264.712	2.513	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243213070	782073991	/nfs/dbraw/zinc/07/39/91/782073991.db2.gz	VIFCNGXVUQICRS-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)nn1	ZINC000191296305	327872887	/nfs/dbraw/zinc/87/28/87/327872887.db2.gz	GEFTZSDFLWIMBT-FNORWQNLSA-N	-1	0	289.310	2.774	20	30		CFEDRM
C[C@H](C#N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000336446995	327887261	/nfs/dbraw/zinc/88/72/61/327887261.db2.gz	MQAUDEAOAPUUSD-RXMQYKEDSA-N	-1	0	259.092	2.797	20	30		CFEDRM
C=CCOc1cccc(/C=C\c2cc(C(=O)[O-])ncn2)c1	ZINC000534145449	328036692	/nfs/dbraw/zinc/03/66/92/328036692.db2.gz	WUHWEGWSRRDDRR-SREVYHEPSA-N	-1	0	282.299	2.910	20	30		CFEDRM
C[C@](C#N)(CCc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000264810764	328162039	/nfs/dbraw/zinc/16/20/39/328162039.db2.gz	XCLLHNLCIRXZOE-GFCCVEGCSA-N	-1	0	270.254	2.580	20	30		CFEDRM
CC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCOCC1	ZINC000267827288	328180492	/nfs/dbraw/zinc/18/04/92/328180492.db2.gz	ZKVBYLOHVQHGOB-OQLLNIDSSA-N	-1	0	278.308	2.536	20	30		CFEDRM
C[C@@H](CCC#N)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1	ZINC000278602829	328228166	/nfs/dbraw/zinc/22/81/66/328228166.db2.gz	LYICVROUSDNAPR-VIFPVBQESA-N	-1	0	276.365	2.521	20	30		CFEDRM
CO[C@](C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CC1	ZINC000291009599	328261833	/nfs/dbraw/zinc/26/18/33/328261833.db2.gz	USXJPMRBWOGXAR-VLHYRRCOSA-N	-1	0	278.308	2.534	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000161647604	322355226	/nfs/dbraw/zinc/35/52/26/322355226.db2.gz	GFZPPQDDNOHLJO-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
N#Cc1ccc(-c2nc3n(c2C(=O)[O-])CCCC3)s1	ZINC000578644304	324874405	/nfs/dbraw/zinc/87/44/05/324874405.db2.gz	VKSUAAMGXGWEIV-UHFFFAOYSA-N	-1	0	273.317	2.518	20	30		CFEDRM
N#CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000563760904	328510647	/nfs/dbraw/zinc/51/06/47/328510647.db2.gz	BJKPXOOKTGQRCL-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000580430780	325034477	/nfs/dbraw/zinc/03/44/77/325034477.db2.gz	WOQOOAKNCREDRT-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000262852659	326960797	/nfs/dbraw/zinc/96/07/97/326960797.db2.gz	HXMAVQORSLLUKQ-VXGBXAGGSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)[O-]	ZINC000262857417	326961047	/nfs/dbraw/zinc/96/10/47/326961047.db2.gz	IJMHGGUQORZKDB-CQSZACIVSA-N	-1	0	287.359	2.644	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263335872	327018859	/nfs/dbraw/zinc/01/88/59/327018859.db2.gz	NJBSCKSIFLSVQY-ZDUSSCGKSA-N	-1	0	276.336	2.539	20	30		CFEDRM
N#CCc1cccc(NC2CCC(C(=O)[O-])CC2)c1	ZINC000263570687	327086107	/nfs/dbraw/zinc/08/61/07/327086107.db2.gz	IMIVDCYGHHKYKY-UHFFFAOYSA-N	-1	0	258.321	2.808	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C	ZINC000566458081	327376033	/nfs/dbraw/zinc/37/60/33/327376033.db2.gz	QRFJWRZHRKTVPN-UHFFFAOYSA-N	-1	0	286.335	2.636	20	30		CFEDRM
C=CCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-]	ZINC000154942810	327389142	/nfs/dbraw/zinc/38/91/42/327389142.db2.gz	STZWYLABJBKUGK-UHFFFAOYSA-N	-1	0	285.347	2.617	20	30		CFEDRM
CC(C)(C)c1[n-]n(C[C@@H]2CCCOC2)c(=O)c1CCC#N	ZINC000536156121	328659138	/nfs/dbraw/zinc/65/91/38/328659138.db2.gz	ZICJKKJKASSTIJ-LBPRGKRZSA-N	-1	0	291.395	2.769	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000393732209	329089253	/nfs/dbraw/zinc/08/92/53/329089253.db2.gz	CRYVWGURGPPMNN-WFASDCNBSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000398235350	329439029	/nfs/dbraw/zinc/43/90/29/329439029.db2.gz	VVWQBDIGAHRVEV-PWSUYJOCSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=C[C@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000583849095	329488124	/nfs/dbraw/zinc/48/81/24/329488124.db2.gz	NTBYAZUILZEIDI-CYBMUJFWSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000262232512	330002133	/nfs/dbraw/zinc/00/21/33/330002133.db2.gz	VLLAKRQCOMFHAD-CYBMUJFWSA-N	-1	0	267.369	2.618	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](c1ccccc1)C(C)C)C(=O)[O-]	ZINC000262887228	330036323	/nfs/dbraw/zinc/03/63/23/330036323.db2.gz	LDVJGUHGLKDSOL-GJZGRUSLSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000262994142	330038167	/nfs/dbraw/zinc/03/81/67/330038167.db2.gz	VPFOQZFUZWVKLB-SECBINFHSA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000263314091	330052136	/nfs/dbraw/zinc/05/21/36/330052136.db2.gz	YJHIAFGEESSEHR-DOMZBBRYSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000263545055	330059428	/nfs/dbraw/zinc/05/94/28/330059428.db2.gz	SWFSMCKYLSDPSB-LBPRGKRZSA-N	-1	0	279.311	2.592	20	30		CFEDRM
C#CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1	ZINC000274175673	330103566	/nfs/dbraw/zinc/10/35/66/330103566.db2.gz	XHZJICCTWYVCRS-UHFFFAOYSA-N	-1	0	265.740	2.652	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000424421901	330351526	/nfs/dbraw/zinc/35/15/26/330351526.db2.gz	DZDDTBNJMNPYSP-GFCCVEGCSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCC[C@@H](C)NS(=O)(=O)c1cnccc1OCC	ZINC000451363249	331025954	/nfs/dbraw/zinc/02/59/54/331025954.db2.gz	AEOICCWEGCZWIS-GFCCVEGCSA-N	-1	0	298.408	2.503	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457289724	331218193	/nfs/dbraw/zinc/21/81/93/331218193.db2.gz	JBASVGKINMNTKN-AWEZNQCLSA-N	-1	0	285.290	2.838	20	30		CFEDRM
C=CC[C@@H](C(=O)N=c1nc(C)[n-]s1)c1ccccc1	ZINC000489025901	332038195	/nfs/dbraw/zinc/03/81/95/332038195.db2.gz	XWUOCEATFRMARW-GFCCVEGCSA-N	-1	0	273.361	2.567	20	30		CFEDRM
C#C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(F)cc1	ZINC000491814130	332365782	/nfs/dbraw/zinc/36/57/82/332365782.db2.gz	CMJJABIZXIMHOD-VIFPVBQESA-N	-1	0	277.192	2.517	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCc2sccc21)C(=O)[O-]	ZINC000315921483	333384399	/nfs/dbraw/zinc/38/43/99/333384399.db2.gz	PLKYQPUWPGIYMZ-RYUDHWBXSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(OCCC)c1)C(=O)[O-]	ZINC000262829526	334574952	/nfs/dbraw/zinc/57/49/52/334574952.db2.gz	FSHCLNZNJYUYBZ-AWEZNQCLSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000262928898	334580250	/nfs/dbraw/zinc/58/02/50/334580250.db2.gz	OSTNOPASZUSNAG-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1	ZINC000569067141	334853659	/nfs/dbraw/zinc/85/36/59/334853659.db2.gz	QEUZVKUZCDMSRN-UHFFFAOYSA-N	-1	0	286.312	2.765	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000183516605	335896032	/nfs/dbraw/zinc/89/60/32/335896032.db2.gz	TVWWITKQTAHZCW-SNVBAGLBSA-N	-1	0	281.271	2.923	20	30		CFEDRM
C=C(C)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000386895821	336181932	/nfs/dbraw/zinc/18/19/32/336181932.db2.gz	OCNDPRMPLXHOCZ-UHFFFAOYSA-N	-1	0	250.254	2.671	20	30		CFEDRM
N#Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)cc2nc[nH]c21	ZINC001243322585	782137583	/nfs/dbraw/zinc/13/75/83/782137583.db2.gz	IGKMPTKTANORCF-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
Cc1nc(C#N)cc(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243323831	782138460	/nfs/dbraw/zinc/13/84/60/782138460.db2.gz	PSGJTCRIYCTFIN-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1cnc(C#N)c(-c2cc(Cl)cc(C(=O)[O-])c2)n1	ZINC001243324738	782138798	/nfs/dbraw/zinc/13/87/98/782138798.db2.gz	VVYGATKEMTZJEO-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc([O-])c(F)c1F	ZINC001243340215	782144661	/nfs/dbraw/zinc/14/46/61/782144661.db2.gz	ZJFDTGCZYSUYQV-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
CCCC[C@@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232981493	521105916	/nfs/dbraw/zinc/10/59/16/521105916.db2.gz	WRQBHEVILNNKKU-SECBINFHSA-N	-1	0	267.716	2.662	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000262185391	534565507	/nfs/dbraw/zinc/56/55/07/534565507.db2.gz	PIHVAHAOMVIITO-OAHLLOKOSA-N	-1	0	287.359	2.739	20	30		CFEDRM
CC[C@H](C)n1nc(N=c2s[n-]c(C)c2C#N)cc1C	ZINC000361045384	522067897	/nfs/dbraw/zinc/06/78/97/522067897.db2.gz	XAVKGUKWSHOJSB-QMMMGPOBSA-N	-1	0	275.381	2.965	20	30		CFEDRM
C=C[C@H](CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000262909767	534672311	/nfs/dbraw/zinc/67/23/11/534672311.db2.gz	NCEFLRZDQUAONE-UMVBOHGHSA-N	-1	0	287.359	2.525	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000262945869	534674120	/nfs/dbraw/zinc/67/41/20/534674120.db2.gz	MARDPPLJOQJQSF-TZMCWYRMSA-N	-1	0	275.348	2.716	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccccc2C)c1C#N	ZINC000224558591	524692506	/nfs/dbraw/zinc/69/25/06/524692506.db2.gz	KIAKKCFMPCPPTQ-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230333568	524870386	/nfs/dbraw/zinc/87/03/86/524870386.db2.gz	LKOWPTUMNYLHFF-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc(-c2cc(C(=O)[O-])ccc2C)nc1C#N	ZINC001240998895	782163568	/nfs/dbraw/zinc/16/35/68/782163568.db2.gz	DQTJYEBIJZIHNA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cccc(NCc2ccc(C(=O)[O-])cc2)c1	ZINC000050920335	526723875	/nfs/dbraw/zinc/72/38/75/526723875.db2.gz	AXXISNCGJUVGCN-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
N#Cc1ccccc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000339406389	526735693	/nfs/dbraw/zinc/73/56/93/526735693.db2.gz	HDKHRUZQRYYNPI-ALCCZGGFSA-N	-1	0	275.267	2.694	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000736430349	574052168	/nfs/dbraw/zinc/05/21/68/574052168.db2.gz	XFOKSHNCHNNXKK-CYBMUJFWSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000736773633	574071639	/nfs/dbraw/zinc/07/16/39/574071639.db2.gz	UTQKIPXGBYAKGT-BZNIZROVSA-N	-1	0	286.331	2.587	20	30		CFEDRM
CC/C=C(\C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736947741	574087502	/nfs/dbraw/zinc/08/75/02/574087502.db2.gz	DSTWCFSAEWQHRZ-CFDVYZKQSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=C(C)COC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738485873	574089538	/nfs/dbraw/zinc/08/95/38/574089538.db2.gz	VUWVTJAVCIJXCN-ZDUSSCGKSA-N	-1	0	277.320	2.895	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1	ZINC000738488322	574091211	/nfs/dbraw/zinc/09/12/11/574091211.db2.gz	IQNBUTTUCJYTRY-UHFFFAOYSA-N	-1	0	264.281	2.690	20	30		CFEDRM
CCCCCCCCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736983635	574091260	/nfs/dbraw/zinc/09/12/60/574091260.db2.gz	PZUDQLAOIWWNSV-ZDUSSCGKSA-N	-1	0	284.400	2.996	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1	ZINC000738489165	574092745	/nfs/dbraw/zinc/09/27/45/574092745.db2.gz	RPYBUFZMWNANLP-NSHDSACASA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CCCC(=O)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000738489147	574092868	/nfs/dbraw/zinc/09/28/68/574092868.db2.gz	RFBWHOKJTKHLSL-UHFFFAOYSA-N	-1	0	288.347	2.700	20	30		CFEDRM
COC(=O)c1occc1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000728438793	574096295	/nfs/dbraw/zinc/09/62/95/574096295.db2.gz	OKWQMWMCMLTQIO-DUXPYHPUSA-N	-1	0	290.246	2.807	20	30		CFEDRM
COC(=O)c1occc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000728438794	574096372	/nfs/dbraw/zinc/09/63/72/574096372.db2.gz	OKWQMWMCMLTQIO-RQOWECAXSA-N	-1	0	290.246	2.807	20	30		CFEDRM
Cc1ncccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000728785776	574109764	/nfs/dbraw/zinc/10/97/64/574109764.db2.gz	MMUPPPQRNJYJEO-CMDGGOBGSA-N	-1	0	281.311	2.913	20	30		CFEDRM
CN(CC#N)Cc1c2ccccc2sc1C(=O)[O-]	ZINC000737388382	574138529	/nfs/dbraw/zinc/13/85/29/574138529.db2.gz	YZVFGVGUTPRQDQ-UHFFFAOYSA-N	-1	0	260.318	2.555	20	30		CFEDRM
CN(CCCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000737429419	574140782	/nfs/dbraw/zinc/14/07/82/574140782.db2.gz	HWXLUUSMPKNWLC-UHFFFAOYSA-N	-1	0	295.726	2.540	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCCCC1	ZINC000738423181	574168257	/nfs/dbraw/zinc/16/82/57/574168257.db2.gz	QHAGQWHEHLKRGV-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
CCc1nc(C=NNc2ccccc2C(=O)[O-])cs1	ZINC000755600215	574171132	/nfs/dbraw/zinc/17/11/32/574171132.db2.gz	GXWATOPGYVNYDG-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@H](CCC)NC(=O)[O-])c1	ZINC000738504807	574171305	/nfs/dbraw/zinc/17/13/05/574171305.db2.gz	BUDGSYYCEWPWRZ-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1	ZINC000738493303	574171331	/nfs/dbraw/zinc/17/13/31/574171331.db2.gz	LZXNUKLYXNZAMW-UHFFFAOYSA-N	-1	0	299.714	2.659	20	30		CFEDRM
C=CCN(C(=O)NCC1(NC(=O)[O-])CCCCC1)C(C)C	ZINC000738490211	574171502	/nfs/dbraw/zinc/17/15/02/574171502.db2.gz	NZCODSCZFOMYNA-UHFFFAOYSA-N	-1	0	297.399	2.563	20	30		CFEDRM
O=C([O-])c1csc(CN=Nc2ncccc2Cl)c1	ZINC000755655352	574175704	/nfs/dbraw/zinc/17/57/04/574175704.db2.gz	QFAZNALVMDZGFT-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNCCCc2ccccc2)ccc1[O-]	ZINC000729148448	574179162	/nfs/dbraw/zinc/17/91/62/574179162.db2.gz	ZUXOSRVCCJGUSN-UHFFFAOYSA-N	-1	0	299.330	2.857	20	30		CFEDRM
CC(C)[C@@H](CNc1cc(Cl)ccc1C#N)NC(=O)[O-]	ZINC000738787406	574184298	/nfs/dbraw/zinc/18/42/98/574184298.db2.gz	FKAWMCPSSGDOPT-GFCCVEGCSA-N	-1	0	281.743	2.916	20	30		CFEDRM
CC(C)[C@@H](CNc1ccc(C#N)c(Cl)c1)NC(=O)[O-]	ZINC000738788720	574184495	/nfs/dbraw/zinc/18/44/95/574184495.db2.gz	KAYYEJVMARXHIP-GFCCVEGCSA-N	-1	0	281.743	2.916	20	30		CFEDRM
Cc1ccsc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738798452	574185047	/nfs/dbraw/zinc/18/50/47/574185047.db2.gz	KTMQLQDVKYQPKL-AWEZNQCLSA-N	-1	0	286.356	2.844	20	30		CFEDRM
Cc1nc(C)c(C#N)c(S[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000738844637	574187380	/nfs/dbraw/zinc/18/73/80/574187380.db2.gz	NNNWBYVRUJYLFB-CYBMUJFWSA-N	-1	0	299.355	2.883	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NO[C@@H]1CCCCO1)CCC2	ZINC000755819560	574189622	/nfs/dbraw/zinc/18/96/22/574189622.db2.gz	JEICNJRNCRNXSY-GFCCVEGCSA-N	-1	0	293.319	2.870	20	30		CFEDRM
Cc1oc(CN(CC#N)C2CCCC2)cc1C(=O)[O-]	ZINC000738980238	574192045	/nfs/dbraw/zinc/19/20/45/574192045.db2.gz	PTQLQCIFFAPOOO-UHFFFAOYSA-N	-1	0	262.309	2.554	20	30		CFEDRM
Cc1nnc(NN=Cc2ccc(CC(C)C)cc2)[n-]c1=O	ZINC000755880443	574193951	/nfs/dbraw/zinc/19/39/51/574193951.db2.gz	ONKQVJYADKYBTO-UHFFFAOYSA-N	-1	0	285.351	2.530	20	30		CFEDRM
CC1(C)CC(=NNc2cnnc([O-])c2Cl)C(C)(C)O1	ZINC000755892067	574195065	/nfs/dbraw/zinc/19/50/65/574195065.db2.gz	IZOURGBJGGWMRI-UHFFFAOYSA-N	-1	0	284.747	2.581	20	30		CFEDRM
C[C@H](SCCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739058327	574195291	/nfs/dbraw/zinc/19/52/91/574195291.db2.gz	ZHRLKNFXNNWVBY-JTQLQIEISA-N	-1	0	265.334	2.533	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCCC1	ZINC000739067115	574196230	/nfs/dbraw/zinc/19/62/30/574196230.db2.gz	XFQJQXHQKMSSEC-UHFFFAOYSA-N	-1	0	290.294	2.936	20	30		CFEDRM
N#CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000739068220	574196569	/nfs/dbraw/zinc/19/65/69/574196569.db2.gz	CDXUSPDETKQYAJ-UHFFFAOYSA-N	-1	0	295.726	2.854	20	30		CFEDRM
N#CCOc1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1	ZINC000739087642	574197112	/nfs/dbraw/zinc/19/71/12/574197112.db2.gz	LNZYDMGNYSUKBW-PTNGSMBKSA-N	-1	0	280.283	2.609	20	30		CFEDRM
N#Cc1nnc2ccccc2c1Oc1ccc(C(=O)[O-])cc1	ZINC000739144851	574199694	/nfs/dbraw/zinc/19/96/94/574199694.db2.gz	BHPCUFOXWGBYRC-UHFFFAOYSA-N	-1	0	291.266	2.992	20	30		CFEDRM
C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1NC(=O)[O-]	ZINC000739193928	574200478	/nfs/dbraw/zinc/20/04/78/574200478.db2.gz	PUCRUAGQOKCAIE-ZANVPECISA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)s1	ZINC000733201492	574210905	/nfs/dbraw/zinc/21/09/05/574210905.db2.gz	LCGQGZOIOSYYJX-UHFFFAOYSA-N	-1	0	297.771	2.827	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2ccc(O)cc2)c1	ZINC000733205336	574210965	/nfs/dbraw/zinc/21/09/65/574210965.db2.gz	RULXPYBQYJXTKM-WTKPLQERSA-N	-1	0	298.294	2.752	20	30		CFEDRM
CCOc1cccc(/C=N/C[C@H](NC(=O)[O-])C(C)C)c1O	ZINC000739504943	574215751	/nfs/dbraw/zinc/21/57/51/574215751.db2.gz	OPVYNHVGXPQLRN-WIJRQFRKSA-N	-1	0	294.351	2.502	20	30		CFEDRM
CN(C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)[O-]	ZINC000739644566	574221604	/nfs/dbraw/zinc/22/16/04/574221604.db2.gz	KOADCPXAJXLOSN-LBPRGKRZSA-N	-1	0	291.326	2.524	20	30		CFEDRM
Cc1ccc(N=NC2CCC[C@H]2CNC(=O)[O-])cc1	ZINC000740138808	574239390	/nfs/dbraw/zinc/23/93/90/574239390.db2.gz	CGCIYXNFKRHHHE-NSHDSACASA-N	-1	0	261.325	2.831	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNCCCc2ccccc2)c1	ZINC000740155786	574240061	/nfs/dbraw/zinc/24/00/61/574240061.db2.gz	SHLACYPKHFGKPY-UHFFFAOYSA-N	-1	0	298.342	2.647	20	30		CFEDRM
O=C([O-])c1coc(CON=C2CCOc3ccccc32)c1	ZINC000740269571	574244990	/nfs/dbraw/zinc/24/49/90/574244990.db2.gz	ODDCCPBNLBFDQV-UHFFFAOYSA-N	-1	0	287.271	2.681	20	30		CFEDRM
O=C([O-])c1occc1/C=C1\Cc2cc(F)ccc2C1=O	ZINC000740308644	574246666	/nfs/dbraw/zinc/24/66/66/574246666.db2.gz	YJLNKOYRMRNAAF-BJMVGYQFSA-N	-1	0	272.231	2.939	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC(CNC(=O)[O-])CC1	ZINC000740316460	574246720	/nfs/dbraw/zinc/24/67/20/574246720.db2.gz	YIKDUHNBDRGCBW-UHFFFAOYSA-N	-1	0	293.754	2.696	20	30		CFEDRM
O=C([O-])N1CC(N=Nc2ccnc3cc(Cl)ccc23)C1	ZINC000740488171	574250385	/nfs/dbraw/zinc/25/03/85/574250385.db2.gz	GJQLAWHZKUCGRL-UHFFFAOYSA-N	-1	0	290.710	2.650	20	30		CFEDRM
O=C([O-])N(CCN=Cc1cc2ccccc2[nH]c1=O)C1CC1	ZINC000740490103	574251098	/nfs/dbraw/zinc/25/10/98/574251098.db2.gz	UWBQFSVMOIVDFJ-LICLKQGHSA-N	-1	0	299.330	2.502	20	30		CFEDRM
CC(C)(C)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])no1	ZINC000748410995	574251289	/nfs/dbraw/zinc/25/12/89/574251289.db2.gz	RXWZMDCOMVRTNO-UHFFFAOYSA-N	-1	0	285.303	2.802	20	30		CFEDRM
O=C([O-])N1CC[C@H](/N=C\c2c(O)ccc3ccccc32)C1	ZINC000740505125	574252392	/nfs/dbraw/zinc/25/23/92/574252392.db2.gz	IOKQDGJAHQUUQH-CHROMADKSA-N	-1	0	284.315	2.717	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cc(F)cc(F)c1	ZINC000740621369	574258631	/nfs/dbraw/zinc/25/86/31/574258631.db2.gz	VTGMXPCWBOEOLB-QMMMGPOBSA-N	-1	0	283.278	2.800	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc(Cl)nc2)c1	ZINC000748779326	574266250	/nfs/dbraw/zinc/26/62/50/574266250.db2.gz	ZEEIBQDDAGXMNS-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000756845798	574268055	/nfs/dbraw/zinc/26/80/55/574268055.db2.gz	GVGIGGBITOZANV-JYJNAYRXSA-N	-1	0	297.354	2.534	20	30		CFEDRM
COc1ccc2c(c1)OCC2=NNc1ccccc1C(=O)[O-]	ZINC000749158296	574283005	/nfs/dbraw/zinc/28/30/05/574283005.db2.gz	LTBHFSASTYJGKB-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1	ZINC000739328174	574286090	/nfs/dbraw/zinc/28/60/90/574286090.db2.gz	CEWLRBAGMOAHBT-OLZOCXBDSA-N	-1	0	284.400	2.852	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1	ZINC000739328175	574286097	/nfs/dbraw/zinc/28/60/97/574286097.db2.gz	CEWLRBAGMOAHBT-QWHCGFSZSA-N	-1	0	284.400	2.852	20	30		CFEDRM
CC(=NOCC(C)C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749632173	574303113	/nfs/dbraw/zinc/30/31/13/574303113.db2.gz	WBZVXOXCEWZZCD-UHFFFAOYSA-N	-1	0	252.270	2.697	20	30		CFEDRM
CCC(C=Nn1c(=O)c2ccccc2[n-]c1=S)CC	ZINC000725857630	574333625	/nfs/dbraw/zinc/33/36/25/574333625.db2.gz	AGWPQDMXYYEDNZ-UHFFFAOYSA-N	-1	0	275.377	2.955	20	30		CFEDRM
C=CCCCOC(=O)c1ccccc1N(C)C(=O)[O-]	ZINC000736102422	574349919	/nfs/dbraw/zinc/34/99/19/574349919.db2.gz	GOHPPXLHYYQOMS-UHFFFAOYSA-N	-1	0	263.293	2.924	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1ccc(F)cc1C(=O)[O-]	ZINC000736102551	574350196	/nfs/dbraw/zinc/35/01/96/574350196.db2.gz	ODQCSEPUZUEPLU-SNVBAGLBSA-N	-1	0	296.294	2.548	20	30		CFEDRM
C#CCOc1cccc(OCc2cc(C)c(C(=O)[O-])o2)c1	ZINC000736087007	574350273	/nfs/dbraw/zinc/35/02/73/574350273.db2.gz	BBEIHDYYQXEJIZ-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
C=CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000736108309	574350334	/nfs/dbraw/zinc/35/03/34/574350334.db2.gz	SWJYSCNACIKEBS-UHFFFAOYSA-N	-1	0	275.348	2.740	20	30		CFEDRM
C=C(C)CNC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000736094604	574350703	/nfs/dbraw/zinc/35/07/03/574350703.db2.gz	OZXSQTXKMFLQQQ-NSHDSACASA-N	-1	0	290.388	2.516	20	30		CFEDRM
C=C(Cl)COC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000736094455	574350713	/nfs/dbraw/zinc/35/07/13/574350713.db2.gz	GNBSDTPQOICUMG-UHFFFAOYSA-N	-1	0	268.696	2.613	20	30		CFEDRM
C#Cc1cccc(N(CC)Cc2ccoc2C(=O)[O-])c1	ZINC000736090758	574350872	/nfs/dbraw/zinc/35/08/72/574350872.db2.gz	JTROGAVBVYVXMN-UHFFFAOYSA-N	-1	0	269.300	2.986	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000736096479	574351183	/nfs/dbraw/zinc/35/11/83/574351183.db2.gz	NRLFEALZTRCHRA-JTQLQIEISA-N	-1	0	277.324	2.540	20	30		CFEDRM
CC#CCOc1ccc(C(=O)[O-])cc1Br	ZINC000736118618	574351572	/nfs/dbraw/zinc/35/15/72/574351572.db2.gz	XFDYLFBOABSMTP-UHFFFAOYSA-N	-1	0	269.094	2.549	20	30		CFEDRM
C=CCn1c(C)cc(C(=O)CSC[C@@H](C)C(=O)[O-])c1C	ZINC000736118263	574351612	/nfs/dbraw/zinc/35/16/12/574351612.db2.gz	SPQCWBUVHFGSHD-SNVBAGLBSA-N	-1	0	295.404	2.928	20	30		CFEDRM
Cc1ccccc1C1CC(N=Nc2nnc(C)c(=O)[n-]2)C1	ZINC000743426409	574363491	/nfs/dbraw/zinc/36/34/91/574363491.db2.gz	GDOBTJMTYNABSS-UHFFFAOYSA-N	-1	0	283.335	2.540	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C2CC2)C(=O)O1	ZINC000751031671	574368601	/nfs/dbraw/zinc/36/86/01/574368601.db2.gz	BDETXWDHIMCBDY-XZVRFQMRSA-N	-1	0	296.322	2.792	20	30		CFEDRM
C[C@H](NN=Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC000751130436	574369917	/nfs/dbraw/zinc/36/99/17/574369917.db2.gz	KXVXJKBBZFFRAK-NSHDSACASA-N	-1	0	285.303	2.985	20	30		CFEDRM
Cc1cc(NN=Cc2cccc(Cl)c2[O-])nc(C)n1	ZINC000753163233	574399645	/nfs/dbraw/zinc/39/96/45/574399645.db2.gz	OCTXZTQVUQUHNF-UHFFFAOYSA-N	-1	0	276.727	2.898	20	30		CFEDRM
N#CCCN(Cc1ccc(C(=O)[O-])cc1)Cc1ccccn1	ZINC000821324518	597352995	/nfs/dbraw/zinc/35/29/95/597352995.db2.gz	GYYYOXGXDWOFMU-UHFFFAOYSA-N	-1	0	295.342	2.696	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000820953835	597354152	/nfs/dbraw/zinc/35/41/52/597354152.db2.gz	HCKLAXRWWCLPFC-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
CSc1ccc(C)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820909903	597609591	/nfs/dbraw/zinc/60/95/91/597609591.db2.gz	INGPLTBVCWDXPL-CQSZACIVSA-N	-1	0	292.360	2.660	20	30		CFEDRM
Cc1c(F)cccc1-c1ccc(C=NNCCC(=O)[O-])o1	ZINC000820944566	597740065	/nfs/dbraw/zinc/74/00/65/597740065.db2.gz	FDBDVCZWMNYFTG-UHFFFAOYSA-N	-1	0	290.294	2.792	20	30		CFEDRM
Cc1cc(C=NNCCC(=O)[O-])ccc1Oc1cccnc1	ZINC000820976468	597742762	/nfs/dbraw/zinc/74/27/62/597742762.db2.gz	HTQXIYUJKPMBKG-UHFFFAOYSA-N	-1	0	299.330	2.581	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)s1	ZINC000821330131	598049883	/nfs/dbraw/zinc/04/98/83/598049883.db2.gz	VYKBSISTBPJXRZ-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
N#CCCN(Cc1ccco1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000821324858	598155740	/nfs/dbraw/zinc/15/57/40/598155740.db2.gz	TYKQZEFJGUASPU-UHFFFAOYSA-N	-1	0	298.298	2.534	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2cc(Cl)ccn2)CC1	ZINC000814898346	598201653	/nfs/dbraw/zinc/20/16/53/598201653.db2.gz	OMZCEXOZZCDMDU-UHFFFAOYSA-N	-1	0	267.716	2.778	20	30		CFEDRM
N#Cc1ccccc1Oc1ccccc1C(=O)OCC(=O)[O-]	ZINC000821340688	598205442	/nfs/dbraw/zinc/20/54/42/598205442.db2.gz	WUVJZYHAZJPTBE-UHFFFAOYSA-N	-1	0	297.266	2.592	20	30		CFEDRM
N#Cc1ccc(SCC(=O)[O-])cc1C(F)(F)F	ZINC000036889074	598219986	/nfs/dbraw/zinc/21/99/86/598219986.db2.gz	IUUILBZROJOCPZ-UHFFFAOYSA-N	-1	0	261.224	2.754	20	30		CFEDRM
N#Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1	ZINC000232437178	598220618	/nfs/dbraw/zinc/22/06/18/598220618.db2.gz	DKQZMCDURDHQIK-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
Cc1c(Cl)cccc1NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000820944820	598221650	/nfs/dbraw/zinc/22/16/50/598221650.db2.gz	NMKIUMRDTJIHIO-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCCCC2)CC1	ZINC000819810626	598226175	/nfs/dbraw/zinc/22/61/75/598226175.db2.gz	DJBRFMWWEDHMNC-HNNXBMFYSA-N	-1	0	292.379	2.564	20	30		CFEDRM
Cc1ccc(N(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cc1Cl	ZINC000821083796	598227565	/nfs/dbraw/zinc/22/75/65/598227565.db2.gz	UXTUCZYTFHBTDR-AWEZNQCLSA-N	-1	0	294.738	2.616	20	30		CFEDRM
CC(C)CCC1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819977089	598230191	/nfs/dbraw/zinc/23/01/91/598230191.db2.gz	VWGAPNPPQTZOEC-INIZCTEOSA-N	-1	0	294.395	2.666	20	30		CFEDRM
Cc1ccc(Cl)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000821078917	598230613	/nfs/dbraw/zinc/23/06/13/598230613.db2.gz	CNLGVQYFYQJRKW-CYBMUJFWSA-N	-1	0	280.711	2.592	20	30		CFEDRM
C=C(Br)CN(CCC(=O)[O-])Cc1ccccc1	ZINC000692456907	599812320	/nfs/dbraw/zinc/81/23/20/599812320.db2.gz	WHPNKDJFZUGQIG-UHFFFAOYSA-N	-1	0	298.180	2.872	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1cc(C#N)ccc1F	ZINC000090097421	600586430	/nfs/dbraw/zinc/58/64/30/600586430.db2.gz	VODVHPGPPRDTEY-QMMMGPOBSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccco1	ZINC000826061519	600684440	/nfs/dbraw/zinc/68/44/40/600684440.db2.gz	VXUNWOHDOAVWLJ-IINYFYTJSA-N	-1	0	299.282	2.624	20	30		CFEDRM
C#CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000238143961	600824188	/nfs/dbraw/zinc/82/41/88/600824188.db2.gz	YCRJSFNULROBCV-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)COC3)o1	ZINC000833094443	600830204	/nfs/dbraw/zinc/83/02/04/600830204.db2.gz	HMUXMPAYKGRRPD-HWKANZROSA-N	-1	0	284.267	2.904	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000825698380	600964946	/nfs/dbraw/zinc/96/49/46/600964946.db2.gz	HFJISSKVLISSTJ-UHFFFAOYSA-N	-1	0	297.738	2.960	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000110989381	601143564	/nfs/dbraw/zinc/14/35/64/601143564.db2.gz	MXCYNDDBJPQIJS-UHFFFAOYSA-N	-1	0	274.320	2.899	20	30		CFEDRM
C=CCCCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000825671097	601162889	/nfs/dbraw/zinc/16/28/89/601162889.db2.gz	CHMFUVPUEBTYCI-DOMZBBRYSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)C(C)C	ZINC000825600613	601194454	/nfs/dbraw/zinc/19/44/54/601194454.db2.gz	XBGVXBGALKTKKU-CYBMUJFWSA-N	-1	0	260.289	2.590	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(Nc2ncccc2C#N)cc1	ZINC000830519828	601225421	/nfs/dbraw/zinc/22/54/21/601225421.db2.gz	XHEDTDUJSAYFNP-UHFFFAOYSA-N	-1	0	268.276	2.811	20	30		CFEDRM
CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(C#N)c1	ZINC000828784648	601271248	/nfs/dbraw/zinc/27/12/48/601271248.db2.gz	GFPYYCSEXYKQRO-UHFFFAOYSA-N	-1	0	289.335	2.713	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)s2)sc1C(=O)[O-]	ZINC000832896117	601276128	/nfs/dbraw/zinc/27/61/28/601276128.db2.gz	IOWQCNJDXIRFPH-UHFFFAOYSA-N	-1	0	292.341	2.940	20	30		CFEDRM
CN(CCC#N)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000830723550	601323922	/nfs/dbraw/zinc/32/39/22/601323922.db2.gz	XZIXLDXVWQGWSP-LLVKDONJSA-N	-1	0	287.146	2.965	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc3c(c2)CCO3)[nH]1	ZINC000833094811	601331053	/nfs/dbraw/zinc/33/10/53/601331053.db2.gz	KVPVCWWQWLNTRK-HWKANZROSA-N	-1	0	283.283	2.544	20	30		CFEDRM
Cc1cccc2c1OC/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832973423	601331832	/nfs/dbraw/zinc/33/18/32/601331832.db2.gz	AAQKKZOJRMUYPN-YFHOEESVSA-N	-1	0	283.283	2.680	20	30		CFEDRM
CCC/C(C)=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829209395	601350769	/nfs/dbraw/zinc/35/07/69/601350769.db2.gz	VNPKNMNQPCFICN-QIENPNARSA-N	-1	0	287.315	2.974	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(CC#N)C1CCCC1	ZINC000830363043	601420534	/nfs/dbraw/zinc/42/05/34/601420534.db2.gz	NJZHBORPELCICI-UHFFFAOYSA-N	-1	0	276.336	2.808	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3ccccc3C2=O)[nH]1	ZINC000833312754	601445044	/nfs/dbraw/zinc/44/50/44/601445044.db2.gz	WYLOCFXOQAPLMI-LUAWRHEFSA-N	-1	0	267.284	2.925	20	30		CFEDRM
C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(C(=O)[O-])o1	ZINC000827839181	601469816	/nfs/dbraw/zinc/46/98/16/601469816.db2.gz	OHIOGIKOLAPKOJ-SNVBAGLBSA-N	-1	0	299.282	2.696	20	30		CFEDRM
CCCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1	ZINC000111249196	601699293	/nfs/dbraw/zinc/69/92/93/601699293.db2.gz	WOAOTBRETYRCJY-OLZOCXBDSA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=CCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000825664694	601726423	/nfs/dbraw/zinc/72/64/23/601726423.db2.gz	IRNSJUQQNQLLEA-UHFFFAOYSA-N	-1	0	252.241	2.533	20	30		CFEDRM
Cc1ccsc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832984165	601793011	/nfs/dbraw/zinc/79/30/11/601793011.db2.gz	KWLZBCGWQLDFPC-IHWYPQMZSA-N	-1	0	261.302	2.979	20	30		CFEDRM
O=C([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)c[nH]1	ZINC000814684746	601794753	/nfs/dbraw/zinc/79/47/53/601794753.db2.gz	GKALCQDBXBTTRI-UHFFFAOYSA-N	-1	0	286.316	2.769	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2F)[nH]1	ZINC000833312131	601825911	/nfs/dbraw/zinc/82/59/11/601825911.db2.gz	KDTLUJONJILIEX-ZZXKWVIFSA-N	-1	0	277.226	2.887	20	30		CFEDRM
N#Cc1c(Cl)nsc1N1CCC(CCC(=O)[O-])CC1	ZINC000833068768	601830241	/nfs/dbraw/zinc/83/02/41/601830241.db2.gz	CMSXJDKUKNCZCE-UHFFFAOYSA-N	-1	0	299.783	2.749	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000829184948	601881044	/nfs/dbraw/zinc/88/10/44/601881044.db2.gz	RHCUZYMIWGEITL-OLZOCXBDSA-N	-1	0	294.395	2.856	20	30		CFEDRM
N#Cc1ccsc1C(=O)OCc1ccc(C(=O)[O-])s1	ZINC000833076880	602007087	/nfs/dbraw/zinc/00/70/87/602007087.db2.gz	RHYVKLHGJFTUSY-UHFFFAOYSA-N	-1	0	293.325	2.736	20	30		CFEDRM
C#C[C@H](C)N(C)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000935675348	649928925	/nfs/dbraw/zinc/92/89/25/649928925.db2.gz	PPMKXTCKSMRTJE-ZETCQYMHSA-N	-1	0	272.131	2.793	20	30		CFEDRM
CN(CCC#N)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000830722646	602047901	/nfs/dbraw/zinc/04/79/01/602047901.db2.gz	GSDCVNMNJICJDK-NSHDSACASA-N	-1	0	287.146	2.965	20	30		CFEDRM
O=C(C#Cc1ccccc1)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000833092040	602050538	/nfs/dbraw/zinc/05/05/38/602050538.db2.gz	LOUQEJNRFARQDS-HZPDHXFCSA-N	-1	0	299.370	2.578	20	30		CFEDRM
C=CCC(CC=C)C(=O)Oc1ccc(CC(=O)[O-])cc1	ZINC000825665103	602179566	/nfs/dbraw/zinc/17/95/66/602179566.db2.gz	UKFKBSPMZDTDJC-UHFFFAOYSA-N	-1	0	274.316	2.988	20	30		CFEDRM
C=CCc1cc(OCC)ccc1OC(=O)[C@@H](C)CC(=O)[O-]	ZINC000825705509	602179623	/nfs/dbraw/zinc/17/96/23/602179623.db2.gz	KFRHULYUTFENEB-NSHDSACASA-N	-1	0	292.331	2.830	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NOCC(F)(F)F)c2c1	ZINC000833325059	602186062	/nfs/dbraw/zinc/18/60/62/602186062.db2.gz	JHYOJJQWSYBISW-UHFFFAOYSA-N	-1	0	286.209	2.779	20	30		CFEDRM
N#Cc1cc(COc2cccc(C(=O)[O-])c2)ccc1F	ZINC000236467643	602288486	/nfs/dbraw/zinc/28/84/86/602288486.db2.gz	UAVRYBQNBLFOKA-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C[C@H]1CCCN1C(=O)[O-]	ZINC000823496498	602978461	/nfs/dbraw/zinc/97/84/61/602978461.db2.gz	KDURSNUOAFGEFP-CYBMUJFWSA-N	-1	0	282.384	2.724	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1	ZINC000823496715	603038829	/nfs/dbraw/zinc/03/88/29/603038829.db2.gz	OUXNVOLNRXJKFM-LLVKDONJSA-N	-1	0	293.319	2.687	20	30		CFEDRM
CC(C)[C@@H](CNc1c(Cl)cccc1C#N)NC(=O)[O-]	ZINC000824123162	603190874	/nfs/dbraw/zinc/19/08/74/603190874.db2.gz	OVDCYHCVBVQEDD-LLVKDONJSA-N	-1	0	281.743	2.916	20	30		CFEDRM
C=CCCOCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823496180	603194448	/nfs/dbraw/zinc/19/44/48/603194448.db2.gz	FCAZQEFBGQDFLO-LLVKDONJSA-N	-1	0	292.335	2.546	20	30		CFEDRM
C#C[C@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823440672	603456164	/nfs/dbraw/zinc/45/61/64/603456164.db2.gz	DLYGLAWQILGUOX-ZETCQYMHSA-N	-1	0	267.668	2.608	20	30		CFEDRM
CC(C)(CNc1cc(C#N)c2ccccc2n1)NC(=O)[O-]	ZINC000824011486	603519304	/nfs/dbraw/zinc/51/93/04/603519304.db2.gz	PCFNVVDCQCUPPG-UHFFFAOYSA-N	-1	0	284.319	2.565	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1	ZINC000823501233	603529935	/nfs/dbraw/zinc/52/99/35/603529935.db2.gz	SEVCTVXFKGGWMH-OLZOCXBDSA-N	-1	0	288.347	2.642	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1	ZINC000823501235	603529943	/nfs/dbraw/zinc/52/99/43/603529943.db2.gz	SEVCTVXFKGGWMH-STQMWFEESA-N	-1	0	288.347	2.642	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2snc(Cl)c2C#N)C1	ZINC000900375828	620666789	/nfs/dbraw/zinc/66/67/89/620666789.db2.gz	LVSKTAQUDOERLA-LBPRGKRZSA-N	-1	0	299.783	2.749	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490739	604047951	/nfs/dbraw/zinc/04/79/51/604047951.db2.gz	KNYBLWPWBYQFSE-ZDUSSCGKSA-N	-1	0	294.395	2.651	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000825280580	604053292	/nfs/dbraw/zinc/05/32/92/604053292.db2.gz	HRTRBHSBLOQKFI-MNOVXSKESA-N	-1	0	291.326	2.570	20	30		CFEDRM
C=CCC(CC=C)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823490359	604069436	/nfs/dbraw/zinc/06/94/36/604069436.db2.gz	ADPMFPWVGANUQD-PBWFPOADSA-N	-1	0	293.363	2.971	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000831157493	604201797	/nfs/dbraw/zinc/20/17/97/604201797.db2.gz	XVLCJCMAFNWHCG-UHFFFAOYSA-N	-1	0	280.287	2.737	20	30		CFEDRM
CN(c1ccc(C#N)cc1F)C1CCC(NC(=O)[O-])CC1	ZINC000828434709	604220894	/nfs/dbraw/zinc/22/08/94/604220894.db2.gz	KEUPVAONMMVARV-UHFFFAOYSA-N	-1	0	291.326	2.712	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1	ZINC000161146601	604271069	/nfs/dbraw/zinc/27/10/69/604271069.db2.gz	GGBOBSSHMWXPGT-UHFFFAOYSA-N	-1	0	282.299	2.563	20	30		CFEDRM
C=C(Cl)CNCc1cccc2c1N(C(=O)[O-])CC2	ZINC000823485702	604387916	/nfs/dbraw/zinc/38/79/16/604387916.db2.gz	IWZWLTZDICXUOQ-UHFFFAOYSA-N	-1	0	266.728	2.569	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000825665396	604559879	/nfs/dbraw/zinc/55/98/79/604559879.db2.gz	ZVHOBRHAXINETB-TZMCWYRMSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)OCC	ZINC000833367321	604565299	/nfs/dbraw/zinc/56/52/99/604565299.db2.gz	KKDJWQOWBVAQLZ-UKRRQHHQSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)OCC	ZINC000833367322	604565366	/nfs/dbraw/zinc/56/53/66/604565366.db2.gz	KKDJWQOWBVAQLZ-ZFWWWQNUSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#Cc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cn1	ZINC000825636868	604580810	/nfs/dbraw/zinc/58/08/10/604580810.db2.gz	VNXHRZFWPWYZDJ-JTQLQIEISA-N	-1	0	299.282	2.581	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N(C)c1ccccc1C(=O)[O-])OCC	ZINC000833367800	604606668	/nfs/dbraw/zinc/60/66/68/604606668.db2.gz	VTBHHHKEMAHKOD-AWEZNQCLSA-N	-1	0	291.347	2.719	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccc(F)cc1C(=O)[O-])OCC	ZINC000833367027	604613897	/nfs/dbraw/zinc/61/38/97/604613897.db2.gz	GYBKZRGGIHUAMA-ZDUSSCGKSA-N	-1	0	295.310	2.834	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OC1CCC(CC(=O)[O-])CC1)OCC	ZINC000833368441	604614837	/nfs/dbraw/zinc/61/48/37/604614837.db2.gz	JLLWZHDQXIVZEE-JXQTWKCFSA-N	-1	0	298.379	2.934	20	30		CFEDRM
Cc1nc(C#N)c(N=NC(C)[C@@H](C)CCCCC(=O)[O-])o1	ZINC000814812926	604637834	/nfs/dbraw/zinc/63/78/34/604637834.db2.gz	QUOWNIYTGJRLCY-VIFPVBQESA-N	-1	0	292.339	2.924	20	30		CFEDRM
COc1ccc(C)cc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763370663	604666958	/nfs/dbraw/zinc/66/69/58/604666958.db2.gz	TUVRBRHOPFXOEE-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
Cc1ccc(F)c(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763370752	604669952	/nfs/dbraw/zinc/66/99/52/604669952.db2.gz	UBZFYBXUZHWWNO-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccccc1F	ZINC000042343240	620676569	/nfs/dbraw/zinc/67/65/69/620676569.db2.gz	XLKASYUIKWTTCA-UHFFFAOYSA-N	-1	0	287.356	2.845	20	30		CFEDRM
C=C[C@@H](CC(=O)O[C@@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000833370914	604732367	/nfs/dbraw/zinc/73/23/67/604732367.db2.gz	IZPJPERRTOYRFD-SWLSCSKDSA-N	-1	0	276.332	2.999	20	30		CFEDRM
CCN(Cc1ccoc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829734643	604737505	/nfs/dbraw/zinc/73/75/05/604737505.db2.gz	IISGUYKTJHDMSD-HNNXBMFYSA-N	-1	0	284.315	2.799	20	30		CFEDRM
C=CCCSCC(=O)NCc1ccc(NC(=O)[O-])cc1	ZINC000825676135	604802745	/nfs/dbraw/zinc/80/27/45/604802745.db2.gz	WYUZKAXIDNRPNB-UHFFFAOYSA-N	-1	0	294.376	2.702	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000825636820	604807055	/nfs/dbraw/zinc/80/70/55/604807055.db2.gz	UYKAPPJENIYZIT-UHFFFAOYSA-N	-1	0	283.258	2.758	20	30		CFEDRM
CC(C)(C(=O)[O-])c1ccc(NCc2ccnc(C#N)c2)cc1	ZINC000833419374	604873463	/nfs/dbraw/zinc/87/34/63/604873463.db2.gz	SHAHKLUWJYJOBV-UHFFFAOYSA-N	-1	0	295.342	2.928	20	30		CFEDRM
C#CC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000825600387	604886687	/nfs/dbraw/zinc/88/66/87/604886687.db2.gz	MNYMUAHBSGFKLN-ZDUSSCGKSA-N	-1	0	278.279	2.729	20	30		CFEDRM
C[C@H](c1cccnc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550975	604914099	/nfs/dbraw/zinc/91/40/99/604914099.db2.gz	ZVOYLSJYUJWWRV-GFCCVEGCSA-N	-1	0	295.342	2.844	20	30		CFEDRM
C=C(Br)CN(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000833367043	604949594	/nfs/dbraw/zinc/94/95/94/604949594.db2.gz	HFCSOCGYIOTEEI-LLVKDONJSA-N	-1	0	284.153	2.653	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])OCC	ZINC000833366692	604955676	/nfs/dbraw/zinc/95/56/76/604955676.db2.gz	CIWHOATWAJJHMG-DVOMOZLQSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccccc1	ZINC000008365465	604989964	/nfs/dbraw/zinc/98/99/64/604989964.db2.gz	JYRRYQKQIDRABE-JTQLQIEISA-N	-1	0	289.360	2.696	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833373528	604991655	/nfs/dbraw/zinc/99/16/55/604991655.db2.gz	RNRUDFJVQQWGBT-SDDRHHMPSA-N	-1	0	254.326	2.775	20	30		CFEDRM
C#CCCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F	ZINC000833362901	605019893	/nfs/dbraw/zinc/01/98/93/605019893.db2.gz	QCSXHEDLYBIDJO-CQSZACIVSA-N	-1	0	278.279	2.688	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@@H](CSc2cccc(C#N)c2)O1	ZINC000833582627	605060983	/nfs/dbraw/zinc/06/09/83/605060983.db2.gz	WYLLXCPTCYVVON-NSHDSACASA-N	-1	0	275.329	2.798	20	30		CFEDRM
C=CCCOC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823496559	605063693	/nfs/dbraw/zinc/06/36/93/605063693.db2.gz	LMGSNXJIMLVFOE-NSHDSACASA-N	-1	0	269.341	2.522	20	30		CFEDRM
C=C[C@@H](CC)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833371892	605086219	/nfs/dbraw/zinc/08/62/19/605086219.db2.gz	WCJZAGTVDILZQD-VIFPVBQESA-N	-1	0	252.241	2.645	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)C1CCC(C(=O)[O-])CC1	ZINC000833430846	605110462	/nfs/dbraw/zinc/11/04/62/605110462.db2.gz	WCKKHHABAORXQP-UHFFFAOYSA-N	-1	0	294.395	2.666	20	30		CFEDRM
C#CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1	ZINC000833361099	605134300	/nfs/dbraw/zinc/13/43/00/605134300.db2.gz	WJZOSBAWJWVCJU-OAHLLOKOSA-N	-1	0	269.300	2.832	20	30		CFEDRM
C#CCCCOc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000133844521	605146506	/nfs/dbraw/zinc/14/65/06/605146506.db2.gz	BBIHVOUFLUFZSQ-VQHVLOKHSA-N	-1	0	260.289	2.585	20	30		CFEDRM
C=CCOCCCC(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833376194	605156833	/nfs/dbraw/zinc/15/68/33/605156833.db2.gz	WTXRMFXBQVFQMH-UHFFFAOYSA-N	-1	0	283.349	2.676	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000833406606	605160894	/nfs/dbraw/zinc/16/08/94/605160894.db2.gz	BGUBTGPJLUZGII-UHFFFAOYSA-N	-1	0	292.291	2.579	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)O[C@H](C#N)C1CCCCC1	ZINC000833456175	605160948	/nfs/dbraw/zinc/16/09/48/605160948.db2.gz	GVOFFUXBGWCDSQ-GFCCVEGCSA-N	-1	0	281.352	2.893	20	30		CFEDRM
C[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000833603487	605163356	/nfs/dbraw/zinc/16/33/56/605163356.db2.gz	BIKYASQXJXCNSL-LERXQTSPSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)C#N	ZINC000833530257	605163818	/nfs/dbraw/zinc/16/38/18/605163818.db2.gz	BMDOYLYZFQPYMF-QMMMGPOBSA-N	-1	0	279.267	2.619	20	30		CFEDRM
C=C(C)[C@@H](CO)Sc1nc2ccc(C(=O)[O-])cc2o1	ZINC000833368279	605178649	/nfs/dbraw/zinc/17/86/49/605178649.db2.gz	GCDSKMSXBKWCKM-LLVKDONJSA-N	-1	0	279.317	2.555	20	30		CFEDRM
C#CCCCNc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000833362170	605178991	/nfs/dbraw/zinc/17/89/91/605178991.db2.gz	CLJBESCRLLRWQK-UHFFFAOYSA-N	-1	0	261.321	2.997	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000398196148	605250385	/nfs/dbraw/zinc/25/03/85/605250385.db2.gz	CUWIZSFPQWNPPL-GFCCVEGCSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833374391	605251801	/nfs/dbraw/zinc/25/18/01/605251801.db2.gz	ZHOUUJMQFLWUKB-SECBINFHSA-N	-1	0	297.380	2.637	20	30		CFEDRM
N#Cc1ccc(CNc2cccc3c2CCN(C(=O)[O-])C3)o1	ZINC000831126507	605255821	/nfs/dbraw/zinc/25/58/21/605255821.db2.gz	IARYDDUTQFSOPL-UHFFFAOYSA-N	-1	0	297.314	2.799	20	30		CFEDRM
Cc1ccc([C@H](CNc2nccc(C)c2C#N)C(=O)[O-])cc1	ZINC000833748556	605377724	/nfs/dbraw/zinc/37/77/24/605377724.db2.gz	CHIKENXLSQNEPL-HNNXBMFYSA-N	-1	0	295.342	2.850	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1	ZINC000833696232	605435808	/nfs/dbraw/zinc/43/58/08/605435808.db2.gz	IOZGHAXADVDBMR-UHFFFAOYSA-N	-1	0	296.326	2.658	20	30		CFEDRM
Cc1c(Cl)cccc1N=NCCCNC(=O)[O-]	ZINC000829872305	605463687	/nfs/dbraw/zinc/46/36/87/605463687.db2.gz	RSUCRYYBOMXTRZ-UHFFFAOYSA-N	-1	0	255.705	2.704	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)OCC	ZINC000833367218	605463916	/nfs/dbraw/zinc/46/39/16/605463916.db2.gz	JGAWGRNAPWRHCZ-CYBMUJFWSA-N	-1	0	297.395	2.509	20	30		CFEDRM
Cc1ccc(N=NC(C)C[C@H]2CCCN2C(=O)[O-])nc1	ZINC000824760165	605465721	/nfs/dbraw/zinc/46/57/21/605465721.db2.gz	SIPAJWAHDCDILS-GFCCVEGCSA-N	-1	0	276.340	2.710	20	30		CFEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccc(F)cn1	ZINC000824759683	605465816	/nfs/dbraw/zinc/46/58/16/605465816.db2.gz	OANCESMLWYWQBI-LLVKDONJSA-N	-1	0	280.303	2.541	20	30		CFEDRM
CCC(CC)NN=C(C)C[C@H]1CCCN1C(=O)[O-]	ZINC000826575644	605467361	/nfs/dbraw/zinc/46/73/61/605467361.db2.gz	KZHPFFZTQIOJBD-GFCCVEGCSA-N	-1	0	255.362	2.673	20	30		CFEDRM
CC(=NN[C@@H]1CCO[C@@H](C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814897302	605580242	/nfs/dbraw/zinc/58/02/42/605580242.db2.gz	OWPNHNGKHCMXDO-SGMGOOAPSA-N	-1	0	284.400	2.801	20	30		CFEDRM
C#CCCCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000833361937	605580861	/nfs/dbraw/zinc/58/08/61/605580861.db2.gz	SJWMPGNXNILHBT-UHFFFAOYSA-N	-1	0	285.343	2.858	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823473357	605582640	/nfs/dbraw/zinc/58/26/40/605582640.db2.gz	DDELFPSPANVHCJ-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C#CCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000833361969	605598546	/nfs/dbraw/zinc/59/85/46/605598546.db2.gz	UMXIKKJNHTUEHI-ILXRZTDVSA-N	-1	0	291.391	2.814	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000819700969	605602429	/nfs/dbraw/zinc/60/24/29/605602429.db2.gz	UCWSGWJKGICDIN-HNNXBMFYSA-N	-1	0	273.332	2.512	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)c1	ZINC000833975381	605625817	/nfs/dbraw/zinc/62/58/17/605625817.db2.gz	AVHRSDYAEVLMLA-UHFFFAOYSA-N	-1	0	297.270	2.606	20	30		CFEDRM
C=CCN(C(=O)CN(C(=O)[O-])c1ccccc1)C(C)C	ZINC000823500182	605698294	/nfs/dbraw/zinc/69/82/94/605698294.db2.gz	ARVJSBXLNJVRCM-UHFFFAOYSA-N	-1	0	276.336	2.594	20	30		CFEDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)OCC1(C#N)CCCCC1	ZINC000833485141	605706897	/nfs/dbraw/zinc/70/68/97/605706897.db2.gz	ZVBRTVPNVYIMAZ-GFCCVEGCSA-N	-1	0	296.367	2.686	20	30		CFEDRM
Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)ccc1NC(=O)[O-]	ZINC000829934403	605707759	/nfs/dbraw/zinc/70/77/59/605707759.db2.gz	LNNJZPILJCLSCV-LBPRGKRZSA-N	-1	0	289.335	2.753	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1ccccc1	ZINC000823497187	605712930	/nfs/dbraw/zinc/71/29/30/605712930.db2.gz	XVCKMCTVVFQRJI-OCCSQVGLSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=C([O-])N[C@H]1CC(=NOCc2cccnc2)c2ccccc21	ZINC000834157705	605745094	/nfs/dbraw/zinc/74/50/94/605745094.db2.gz	LRRFFELVMYWDPU-AWEZNQCLSA-N	-1	0	297.314	2.715	20	30		CFEDRM
O=C([O-])N[C@@H]1CC(=NO[C@@H]2CCCCO2)c2ccccc21	ZINC000834159142	605746173	/nfs/dbraw/zinc/74/61/73/605746173.db2.gz	XRNLDYJDGXADRF-TZMCWYRMSA-N	-1	0	290.319	2.646	20	30		CFEDRM
C[C@H](CCNc1ccc2cc(C#N)ccc2n1)NC(=O)[O-]	ZINC000833804110	605764640	/nfs/dbraw/zinc/76/46/40/605764640.db2.gz	CEKQHQIJWWJATL-SNVBAGLBSA-N	-1	0	284.319	2.565	20	30		CFEDRM
N#Cc1ccc2nc(NC[C@H]3CCCN3C(=O)[O-])ccc2c1	ZINC000833977123	605767737	/nfs/dbraw/zinc/76/77/37/605767737.db2.gz	OJNVXOXQLXBUPM-CYBMUJFWSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#CCCCCOC(=O)Cc1cccc(NC(=O)[O-])c1	ZINC000833968816	605797160	/nfs/dbraw/zinc/79/71/60/605797160.db2.gz	OBQCSEUPBHLSKP-UHFFFAOYSA-N	-1	0	276.292	2.556	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccc(CC(=O)[O-])cc1F	ZINC000833361637	605803282	/nfs/dbraw/zinc/80/32/82/605803282.db2.gz	FPQZPBSKZFSSCJ-UHFFFAOYSA-N	-1	0	292.306	2.942	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cccc2cnccc21	ZINC000834170694	605859361	/nfs/dbraw/zinc/85/93/61/605859361.db2.gz	VWUDUNHXKYIMRG-CYBMUJFWSA-N	-1	0	284.319	2.823	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](CNC(=O)[O-])C[C@H]1C	ZINC000833853573	605939126	/nfs/dbraw/zinc/93/91/26/605939126.db2.gz	QWXOINVLJCWXHK-CHWSQXEVSA-N	-1	0	284.400	2.852	20	30		CFEDRM
N#C[C@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CCCCC1	ZINC000833964668	606018109	/nfs/dbraw/zinc/01/81/09/606018109.db2.gz	MXCSXKDCNMHQMI-STQMWFEESA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#Cc1cccc(NC(=O)Cc2ccccc2NC(=O)[O-])c1	ZINC000833975761	606039974	/nfs/dbraw/zinc/03/99/74/606039974.db2.gz	FSMDWJNGLZICOU-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
CCCCCCC[C@@H](CC(=O)[O-])NC(=O)N(C)CC	ZINC000806637768	630824740	/nfs/dbraw/zinc/82/47/40/630824740.db2.gz	ULTZJURYXOCNQH-LBPRGKRZSA-N	-1	0	272.389	2.852	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)cc1	ZINC000049417698	617604099	/nfs/dbraw/zinc/60/40/99/617604099.db2.gz	JIDVOGDFSXDGQT-RYUDHWBXSA-N	-1	0	285.340	2.624	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(Cl)nc2)c1	ZINC000255470622	617963800	/nfs/dbraw/zinc/96/38/00/617963800.db2.gz	CCUPGLGVVOICNA-UTCJRWHESA-N	-1	0	299.717	2.964	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000844780522	617989053	/nfs/dbraw/zinc/98/90/53/617989053.db2.gz	SSRVQLJRSNUCTF-MRVPVSSYSA-N	-1	0	259.227	2.540	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000049416797	617603546	/nfs/dbraw/zinc/60/35/46/617603546.db2.gz	JPEVQWJLKYAELU-LBPRGKRZSA-N	-1	0	297.376	2.621	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000049416854	617603641	/nfs/dbraw/zinc/60/36/41/617603641.db2.gz	MLGKROYSQIIKCE-LBPRGKRZSA-N	-1	0	297.376	2.621	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514261	617608044	/nfs/dbraw/zinc/60/80/44/617608044.db2.gz	JCZIBHWKVCUENH-GXSJLCMTSA-N	-1	0	259.371	2.509	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000900979017	620740284	/nfs/dbraw/zinc/74/02/84/620740284.db2.gz	XPJPAYWUFUGLPV-GXTWGEPZSA-N	-1	0	295.342	2.502	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1	ZINC000042344033	617653259	/nfs/dbraw/zinc/65/32/59/617653259.db2.gz	ZBSLAUKEWMMQSC-UHFFFAOYSA-N	-1	0	275.757	2.775	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCCC2(F)F)c1	ZINC000806551124	617659396	/nfs/dbraw/zinc/65/93/96/617659396.db2.gz	IRGANPUKAHBQKS-LYGDGENHSA-N	-1	0	270.235	2.907	20	30		CFEDRM
C[C@H](Oc1cccc(C=NOC/C=C/Cl)c1)C(=O)[O-]	ZINC000811670634	617710923	/nfs/dbraw/zinc/71/09/23/617710923.db2.gz	XIEIAZDPCJQVGV-CXEPRBIXSA-N	-1	0	283.711	2.642	20	30		CFEDRM
O=C1Cc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2N1	ZINC000255392651	617732964	/nfs/dbraw/zinc/73/29/64/617732964.db2.gz	VHBMEYMHCFJWDD-UHFFFAOYSA-N	-1	0	297.270	2.546	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2CCOCC2)c1[O-]	ZINC000255108873	617963725	/nfs/dbraw/zinc/96/37/25/617963725.db2.gz	UXNNGQUDEZBVGJ-NVNXTCNLSA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000255496848	618007874	/nfs/dbraw/zinc/00/78/74/618007874.db2.gz	DUGFCZUJGMTXRT-DOGVGXBMSA-N	-1	0	258.302	2.934	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000255229628	618132340	/nfs/dbraw/zinc/13/23/40/618132340.db2.gz	HESGZJQLTGDRRU-RQOWECAXSA-N	-1	0	271.297	2.927	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CSc2ccccc2)c1	ZINC000176815481	618204839	/nfs/dbraw/zinc/20/48/39/618204839.db2.gz	NYFLCAYKHIFUCJ-UHFFFAOYSA-N	-1	0	284.340	2.995	20	30		CFEDRM
Cc1ccc(C)c(OCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176817736	618205434	/nfs/dbraw/zinc/20/54/34/618205434.db2.gz	JNNCLMPCJDUAJZ-UHFFFAOYSA-N	-1	0	296.326	2.898	20	30		CFEDRM
CN(C)c1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176822342	618206087	/nfs/dbraw/zinc/20/60/87/618206087.db2.gz	AGMXWWQUFGTOQA-UHFFFAOYSA-N	-1	0	281.315	2.582	20	30		CFEDRM
Cc1ccc(O[C@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176825157	618207060	/nfs/dbraw/zinc/20/70/60/618207060.db2.gz	OHZRASNGZGIBJT-GFCCVEGCSA-N	-1	0	296.326	2.978	20	30		CFEDRM
COc1ccc(CCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176825121	618207182	/nfs/dbraw/zinc/20/71/82/618207182.db2.gz	QRTDOCPMCNNCGK-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccco1	ZINC000255591985	618211507	/nfs/dbraw/zinc/21/15/07/618211507.db2.gz	AEVYNMVLMZFBHY-XQRVVYSFSA-N	-1	0	259.217	2.790	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)C1(c2ccccc2F)CC1	ZINC000077868015	618211605	/nfs/dbraw/zinc/21/16/05/618211605.db2.gz	GAKDJADCHBTXPI-UHFFFAOYSA-N	-1	0	299.367	2.800	20	30		CFEDRM
N#Cc1ccccc1/C=C1/Oc2cc([O-])ccc2C1=O	ZINC000255596619	618213398	/nfs/dbraw/zinc/21/33/98/618213398.db2.gz	FRSUDZDFNDWYLO-VIZOYTHASA-N	-1	0	263.252	2.880	20	30		CFEDRM
O=C([O-])C1CCC(=NNC2CCC(F)(F)CC2)CC1	ZINC000901341049	620789407	/nfs/dbraw/zinc/78/94/07/620789407.db2.gz	UCQTYEXAYBRHOI-UHFFFAOYSA-N	-1	0	274.311	2.785	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@@H](C)C(C)(C)C	ZINC000893306719	618294907	/nfs/dbraw/zinc/29/49/07/618294907.db2.gz	BBIZNSWDPBWGJA-LLVKDONJSA-N	-1	0	289.441	2.717	20	30		CFEDRM
N#CCOc1cccc(NC2CCC(C(=O)[O-])CC2)c1	ZINC000312512156	618297424	/nfs/dbraw/zinc/29/74/24/618297424.db2.gz	ZUTIHYYGNOWQQQ-UHFFFAOYSA-N	-1	0	274.320	2.644	20	30		CFEDRM
Cc1cccc(OCCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000179735988	618343059	/nfs/dbraw/zinc/34/30/59/618343059.db2.gz	PFRQQNBTXXXJQX-UHFFFAOYSA-N	-1	0	296.326	2.980	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1cc(F)cc(F)c1	ZINC000086054375	618397021	/nfs/dbraw/zinc/39/70/21/618397021.db2.gz	SBYPAVFQLQJHSX-UHFFFAOYSA-N	-1	0	289.303	2.542	20	30		CFEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055638	618397673	/nfs/dbraw/zinc/39/76/73/618397673.db2.gz	KIOVJERXOHFYNE-BQYQJAHWSA-N	-1	0	285.390	2.990	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000909479472	618404669	/nfs/dbraw/zinc/40/46/69/618404669.db2.gz	RZJYWWQREGVHFU-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000909493783	618420797	/nfs/dbraw/zinc/42/07/97/618420797.db2.gz	GZKTWIGOBYVMQB-OAHLLOKOSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)C1	ZINC000909495011	618422343	/nfs/dbraw/zinc/42/23/43/618422343.db2.gz	LIZHHIUQXBNJQD-GFCCVEGCSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCCC[C@H](C(=O)N[C@H](C)C(=O)[O-])c1ccccc1	ZINC000901428197	620815444	/nfs/dbraw/zinc/81/54/44/620815444.db2.gz	FGMKIIUGBCJNQP-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(C)c(Cl)cc1C	ZINC000909514055	618524747	/nfs/dbraw/zinc/52/47/47/618524747.db2.gz	BATSDDMYMYZAAD-UHFFFAOYSA-N	-1	0	281.739	2.670	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(C(=O)[O-])cs2)C1	ZINC000909518275	618542463	/nfs/dbraw/zinc/54/24/63/618542463.db2.gz	XORDJEABNKPJIJ-UHFFFAOYSA-N	-1	0	251.307	2.741	20	30		CFEDRM
C#CCCCNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000229850193	618645612	/nfs/dbraw/zinc/64/56/12/618645612.db2.gz	HABRDOLQEZLCQY-UHFFFAOYSA-N	-1	0	275.333	2.523	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cccc3nccn32)c([O-])c1	ZINC000255904835	618653617	/nfs/dbraw/zinc/65/36/17/618653617.db2.gz	LGLPBTIZFXORIB-YVMONPNESA-N	-1	0	294.310	2.945	20	30		CFEDRM
CC(C)C[C@H](CNc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC000311041644	618678827	/nfs/dbraw/zinc/67/88/27/618678827.db2.gz	PCKFEXJBBGBNGN-SSDOTTSWSA-N	-1	0	287.772	2.827	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C	ZINC000119705271	618806931	/nfs/dbraw/zinc/80/69/31/618806931.db2.gz	HRCLHDKHWLQZBC-HNNXBMFYSA-N	-1	0	284.359	2.685	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1	ZINC000893033624	618810107	/nfs/dbraw/zinc/81/01/07/618810107.db2.gz	FPBOPJMSLCRCHY-JSGCOSHPSA-N	-1	0	299.436	2.758	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cccs2)c(C)o1	ZINC000048499627	619344748	/nfs/dbraw/zinc/34/47/48/619344748.db2.gz	RHGQWKUNFOBYAG-UHFFFAOYSA-N	-1	0	285.346	2.651	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)s1	ZINC000048518156	619348459	/nfs/dbraw/zinc/34/84/59/619348459.db2.gz	OVACTEFNSXTEDL-UHFFFAOYSA-N	-1	0	299.373	2.928	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518354	619348610	/nfs/dbraw/zinc/34/86/10/619348610.db2.gz	OQOIEUXMGSKEFR-USKTWTLRSA-N	-1	0	267.350	2.990	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519172	619349331	/nfs/dbraw/zinc/34/93/31/619349331.db2.gz	NEJUIVLPDVWXFN-UHFFFAOYSA-N	-1	0	297.307	2.697	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c(C)o1	ZINC000048519370	619349810	/nfs/dbraw/zinc/34/98/10/619349810.db2.gz	MDSLGBLYJVUIDQ-UHFFFAOYSA-N	-1	0	293.344	2.731	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccccc1	ZINC000048519348	619349818	/nfs/dbraw/zinc/34/98/18/619349818.db2.gz	FQNOIHIJXCMLAV-UHFFFAOYSA-N	-1	0	275.329	2.521	20	30		CFEDRM
O=C(Cc1cccs1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519340	619349969	/nfs/dbraw/zinc/34/99/69/619349969.db2.gz	GMTPWIUOTJVZPK-UHFFFAOYSA-N	-1	0	295.385	2.777	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519726	619350382	/nfs/dbraw/zinc/35/03/82/619350382.db2.gz	TUAIHUSDORXNCW-VIFPVBQESA-N	-1	0	299.417	2.572	20	30		CFEDRM
CC[C@@H](NN=C(c1ccccc1C)C1CC1)C(=O)[O-]	ZINC000793055354	619505792	/nfs/dbraw/zinc/50/57/92/619505792.db2.gz	LYAYGGKTQCMFPD-CYBMUJFWSA-N	-1	0	260.337	2.562	20	30		CFEDRM
CC[C@H](NN=Cc1c(Cl)oc2ccccc21)C(=O)[O-]	ZINC000793070879	619506854	/nfs/dbraw/zinc/50/68/54/619506854.db2.gz	AQHGNIYZOUFZFZ-JTQLQIEISA-N	-1	0	280.711	2.873	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135729	619535876	/nfs/dbraw/zinc/53/58/76/619535876.db2.gz	TVBNIFLTOOTEEW-POYBYMJQSA-N	-1	0	291.731	2.780	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000909522868	619554864	/nfs/dbraw/zinc/55/48/64/619554864.db2.gz	BWUDUIBDOFYKMC-CQSZACIVSA-N	-1	0	267.369	2.740	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1	ZINC000896505951	619752558	/nfs/dbraw/zinc/75/25/58/619752558.db2.gz	QQUSBVCMEZWGLL-SNVBAGLBSA-N	-1	0	295.180	2.890	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000896505595	619752657	/nfs/dbraw/zinc/75/26/57/619752657.db2.gz	OLUMUEMSIFXENZ-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1	ZINC000896821262	619830145	/nfs/dbraw/zinc/83/01/45/619830145.db2.gz	QTHPOXIFZKBEPZ-YOGCLGLASA-N	-1	0	288.372	2.877	20	30		CFEDRM
CC1(C)COC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708324	619876752	/nfs/dbraw/zinc/87/67/52/619876752.db2.gz	FQTVRGVOBYHGPR-WFWRNDJQSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000909655959	620036610	/nfs/dbraw/zinc/03/66/10/620036610.db2.gz	NZUZNMNLMFSKHI-MNOVXSKESA-N	-1	0	293.388	2.804	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1ccc2ccc(O)cc2c1O	ZINC000897400174	620102218	/nfs/dbraw/zinc/10/22/18/620102218.db2.gz	JXHYGRLJJMMLPA-LLVKDONJSA-N	-1	0	284.315	2.673	20	30		CFEDRM
CCCCCCCCC(=O)NCc1nc(C)cc(=O)[nH]1	ZINC000898265409	620361066	/nfs/dbraw/zinc/36/10/66/620361066.db2.gz	KIMDPFWZXZOZSC-UHFFFAOYSA-N	-1	0	279.384	2.857	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2ccc(F)cc2C#N)C1	ZINC000111026320	620408207	/nfs/dbraw/zinc/40/82/07/620408207.db2.gz	KOZNGSAKXGAATG-OAHLLOKOSA-N	-1	0	276.311	2.779	20	30		CFEDRM
C=C1CN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1	ZINC000898696820	620490774	/nfs/dbraw/zinc/49/07/74/620490774.db2.gz	JTBMEHBJUDRRSW-UHFFFAOYSA-N	-1	0	297.358	2.713	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCC1	ZINC000899296616	620541282	/nfs/dbraw/zinc/54/12/82/620541282.db2.gz	ZMRKJLYQPLGFPN-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1ccc([O-])c(F)c1)CCC2	ZINC000899353491	620548507	/nfs/dbraw/zinc/54/85/07/620548507.db2.gz	OZTFYFRGIZZXGC-SOFGYWHQSA-N	-1	0	286.306	2.650	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1ccc(F)cc1[O-])CCC2	ZINC000899363796	620551307	/nfs/dbraw/zinc/55/13/07/620551307.db2.gz	UIVDHYXTXNXYRF-FPLPWBNLSA-N	-1	0	286.306	2.650	20	30		CFEDRM
O=C([O-])c1cncc(/C=C/C(=O)c2cnn(C3CCC3)c2)c1	ZINC000899400031	620560408	/nfs/dbraw/zinc/56/04/08/620560408.db2.gz	FOXDWDOQEKFMPF-SNAWJCMRSA-N	-1	0	297.314	2.597	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1F	ZINC000899775743	620598946	/nfs/dbraw/zinc/59/89/46/620598946.db2.gz	NRBMXMLWMHATBQ-NSHDSACASA-N	-1	0	292.310	2.773	20	30		CFEDRM
C=CC(C)(C)NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899854051	620606648	/nfs/dbraw/zinc/60/66/48/620606648.db2.gz	FRXHNAYRLFSXPP-ZDUSSCGKSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000901449181	620824545	/nfs/dbraw/zinc/82/45/45/620824545.db2.gz	HXCOCITYTLJFQR-CORIIIEPSA-N	-1	0	257.333	2.969	20	30		CFEDRM
C=CCC[C@@H](CC)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000901558796	620856831	/nfs/dbraw/zinc/85/68/31/620856831.db2.gz	FBISIXRABNFSAY-CYBMUJFWSA-N	-1	0	290.363	2.658	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ncc(C(C)(C)C)s1	ZINC000901585717	620869873	/nfs/dbraw/zinc/86/98/73/620869873.db2.gz	CJEJVLXINOKGDU-UHFFFAOYSA-N	-1	0	268.382	2.513	20	30		CFEDRM
C=CCOC[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901808002	620921206	/nfs/dbraw/zinc/92/12/06/620921206.db2.gz	ABLSUMFAPPWOPO-YPMHNXCESA-N	-1	0	289.331	2.739	20	30		CFEDRM
C=CCCC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000902023360	620953597	/nfs/dbraw/zinc/95/35/97/620953597.db2.gz	VXUHZTNEFUZUOZ-DZGCQCFKSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)C1(C(=O)[O-])CC=CC1	ZINC000902632039	621139172	/nfs/dbraw/zinc/13/91/72/621139172.db2.gz	ZWCOUMLNVOUWOP-UHFFFAOYSA-N	-1	0	265.353	2.516	20	30		CFEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(CCC#N)cc1	ZINC000902839471	621188812	/nfs/dbraw/zinc/18/88/12/621188812.db2.gz	RQVXTMIUXIDRKY-MRXNPFEDSA-N	-1	0	286.331	2.582	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000902860454	621196440	/nfs/dbraw/zinc/19/64/40/621196440.db2.gz	MQNGCBCXJGAWRJ-AWEZNQCLSA-N	-1	0	291.322	2.836	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000034617277	621553034	/nfs/dbraw/zinc/55/30/34/621553034.db2.gz	CHDNBHBINRPMFF-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
CCCCN(O)C(=O)Cn1c(C)nc2cc(F)c(F)cc21	ZINC000904212216	621553975	/nfs/dbraw/zinc/55/39/75/621553975.db2.gz	BMFUQFSRIONGNT-UHFFFAOYSA-N	-1	0	297.305	2.641	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-]	ZINC000905016688	621682593	/nfs/dbraw/zinc/68/25/93/621682593.db2.gz	XCNUCQVBRITTAP-GFCCVEGCSA-N	-1	0	262.309	2.618	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccsc1)C(=O)[O-]	ZINC000905053440	621686835	/nfs/dbraw/zinc/68/68/35/621686835.db2.gz	HLNMOMZQJRFDBU-JTQLQIEISA-N	-1	0	268.338	2.679	20	30		CFEDRM
CC(C)C#CC(=O)Nc1ccc(OC(F)(F)F)cc1O	ZINC000832754449	625507459	/nfs/dbraw/zinc/50/74/59/625507459.db2.gz	JJKSSERINXRYRY-UHFFFAOYSA-N	-1	0	287.237	2.889	20	30		CFEDRM
C[C@H]1[C@@](C)(CN=Nc2ccc(C(=O)[O-])cn2)[C@@]1(F)Cl	ZINC000905457385	621777089	/nfs/dbraw/zinc/77/70/89/621777089.db2.gz	QHIANMVBUVHTFK-UPZJHPNMSA-N	-1	0	285.706	2.738	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905486028	621784658	/nfs/dbraw/zinc/78/46/58/621784658.db2.gz	JJQGLRAZZUEPKB-VIFPVBQESA-N	-1	0	281.743	2.642	20	30		CFEDRM
C=CC1(CC(=O)N[C@](C)(CC)C(=O)[O-])CCCCC1	ZINC000907576262	622138032	/nfs/dbraw/zinc/13/80/32/622138032.db2.gz	CMYMFNMNHNGQHF-CQSZACIVSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000907577659	622138221	/nfs/dbraw/zinc/13/82/21/622138221.db2.gz	VDPMADCMVYJIPW-MLGOLLRUSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CC1(CC(=O)N[C@]2(C(=O)[O-])CCSC2)CCCCC1	ZINC000907609616	622138803	/nfs/dbraw/zinc/13/88/03/622138803.db2.gz	RMBFCZLCCWLUSI-OAHLLOKOSA-N	-1	0	297.420	2.590	20	30		CFEDRM
C=CC1(CC(=O)N[C@@](C)(COC)CC(=O)[O-])CCCCC1	ZINC000907609362	622138976	/nfs/dbraw/zinc/13/89/76/622138976.db2.gz	BLAYLAXWXMSEAP-OAHLLOKOSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000907582372	622139471	/nfs/dbraw/zinc/13/94/71/622139471.db2.gz	PZIMKWBISTXKQS-LBPRGKRZSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000907596328	622141256	/nfs/dbraw/zinc/14/12/56/622141256.db2.gz	APPQQKVPOXFTJB-TZMCWYRMSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000907614798	622146511	/nfs/dbraw/zinc/14/65/11/622146511.db2.gz	AIXFQWSEBWEQDI-DOMZBBRYSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000907659136	622148402	/nfs/dbraw/zinc/14/84/02/622148402.db2.gz	NDKICSVRPWWYCF-SMDDNHRTSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000907687700	622152546	/nfs/dbraw/zinc/15/25/46/622152546.db2.gz	GPEQUWOMGALGRS-IJLUTSLNSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000907730623	622157849	/nfs/dbraw/zinc/15/78/49/622157849.db2.gz	LFMVUJZSMMVVNX-WWGRRREGSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000907736909	622158188	/nfs/dbraw/zinc/15/81/88/622158188.db2.gz	UPJJWNVUQROITR-ZOBORPQBSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000907749453	622158873	/nfs/dbraw/zinc/15/88/73/622158873.db2.gz	JGPHFZXDZQOREQ-VIFPVBQESA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000907780069	622162967	/nfs/dbraw/zinc/16/29/67/622162967.db2.gz	BIDYPNUUKUZASJ-FQUUOJAGSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCCCN(CC)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000908221044	622203212	/nfs/dbraw/zinc/20/32/12/622203212.db2.gz	MVSUSCVZFYFTNV-CHWSQXEVSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908292785	622215093	/nfs/dbraw/zinc/21/50/93/622215093.db2.gz	QRXXRXYPKBSPMK-JSGCOSHPSA-N	-1	0	281.396	2.986	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000908351467	622219053	/nfs/dbraw/zinc/21/90/53/622219053.db2.gz	GFIHZSKRBLRPJU-LFUGVXIPSA-N	-1	0	264.369	2.800	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1nc(CCC)cs1)C(=O)[O-]	ZINC000908688726	622260582	/nfs/dbraw/zinc/26/05/82/622260582.db2.gz	XDWGGWUSTBSHLC-JTQLQIEISA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1	ZINC000908775683	622272228	/nfs/dbraw/zinc/27/22/28/622272228.db2.gz	HFTIOWYMTZDEPM-AWEZNQCLSA-N	-1	0	291.347	2.937	20	30		CFEDRM
C=CC[C@@H](C(=O)N(CC)CCC(=O)[O-])c1ccccc1	ZINC000908863128	622282133	/nfs/dbraw/zinc/28/21/33/622282133.db2.gz	ZJZDGOXFTVOMEL-CQSZACIVSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=C1CCC(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CC1	ZINC000909034949	622298890	/nfs/dbraw/zinc/29/88/90/622298890.db2.gz	LOMHQTXKAXVFJV-MRXNPFEDSA-N	-1	0	299.370	2.943	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909086003	622308849	/nfs/dbraw/zinc/30/88/49/622308849.db2.gz	IXDZSMNYQGDOFW-JSGCOSHPSA-N	-1	0	289.331	2.613	20	30		CFEDRM
C=CCCCNC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000909123300	622315260	/nfs/dbraw/zinc/31/52/60/622315260.db2.gz	QMRGNMWIDLIDJT-INIZCTEOSA-N	-1	0	290.363	2.642	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1	ZINC000909125677	622315939	/nfs/dbraw/zinc/31/59/39/622315939.db2.gz	HMGTVGDBFMJHOM-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1	ZINC000909223004	622328451	/nfs/dbraw/zinc/32/84/51/622328451.db2.gz	LHZGVDCDSCMMGC-UHFFFAOYSA-N	-1	0	259.305	2.988	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909292773	622335869	/nfs/dbraw/zinc/33/58/69/622335869.db2.gz	BAJFVGYJDDGEIP-ZDUSSCGKSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909294250	622335940	/nfs/dbraw/zinc/33/59/40/622335940.db2.gz	JFBZPCDLRNRARB-INIZCTEOSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000909283856	622339284	/nfs/dbraw/zinc/33/92/84/622339284.db2.gz	MRBVJVBJSMNLKR-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909700618	622342713	/nfs/dbraw/zinc/34/27/13/622342713.db2.gz	MXEDACMQCBWXOK-HUUCEWRRSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909702496	622343129	/nfs/dbraw/zinc/34/31/29/622343129.db2.gz	HPRBPMCSVXCMTL-OAHLLOKOSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])CC1	ZINC000909864802	622361204	/nfs/dbraw/zinc/36/12/04/622361204.db2.gz	CFWCZLNRRUDWGZ-ZWNOBZJWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000909868659	622362376	/nfs/dbraw/zinc/36/23/76/622362376.db2.gz	VDUDIJAPOPJQCF-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909872254	622363001	/nfs/dbraw/zinc/36/30/01/622363001.db2.gz	UGQGQQMNIXJORE-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@H](C)CC(=O)[O-])CCCC1	ZINC000909946811	622375344	/nfs/dbraw/zinc/37/53/44/622375344.db2.gz	ZHYYBOVRHFBJGG-GFCCVEGCSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C#CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21	ZINC000909958628	622377086	/nfs/dbraw/zinc/37/70/86/622377086.db2.gz	MCAQGBRPJUJBEC-KKUMJFAQSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1	ZINC000910066699	622400448	/nfs/dbraw/zinc/40/04/48/622400448.db2.gz	SUYOOXKCYZVBKS-UHFFFAOYSA-N	-1	0	285.343	2.626	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1	ZINC000910232927	622414461	/nfs/dbraw/zinc/41/44/61/622414461.db2.gz	LMUNCVBFPPQGDB-SECBINFHSA-N	-1	0	295.310	2.828	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](CC)C(=O)[O-]	ZINC000910242169	622417356	/nfs/dbraw/zinc/41/73/56/622417356.db2.gz	QHXIXYKCCPQXIU-CQSZACIVSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])cc2F)C1	ZINC000833552020	625569607	/nfs/dbraw/zinc/56/96/07/625569607.db2.gz	YJTFDHQWUHWDIP-OAHLLOKOSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=CCCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1	ZINC000910732544	622471010	/nfs/dbraw/zinc/47/10/10/622471010.db2.gz	QETIJTAZBHTKMA-JTQLQIEISA-N	-1	0	294.376	2.779	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910786401	622475472	/nfs/dbraw/zinc/47/54/72/622475472.db2.gz	MTRWPYPQHKQSQC-UHFFFAOYSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-]	ZINC000910914642	622486131	/nfs/dbraw/zinc/48/61/31/622486131.db2.gz	MFVBCOUYWUJGNQ-PBQZMEPESA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000910913849	622486156	/nfs/dbraw/zinc/48/61/56/622486156.db2.gz	DRXCCDCUEVIHGZ-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(SC)o1)C(=O)[O-]	ZINC000910914698	622486371	/nfs/dbraw/zinc/48/63/71/622486371.db2.gz	NACACFYINKHIAB-VIFPVBQESA-N	-1	0	283.349	2.541	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000910914960	622486646	/nfs/dbraw/zinc/48/66/46/622486646.db2.gz	QSIURUABYOKJLO-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC1CCC(OC)CC1)C(=O)[O-]	ZINC000910916277	622486697	/nfs/dbraw/zinc/48/66/97/622486697.db2.gz	GOCNSTWZNNVMRO-RUXDESIVSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1cccs1)C(=O)[O-]	ZINC000910915005	622486854	/nfs/dbraw/zinc/48/68/54/622486854.db2.gz	RPILWAPIAHXNNK-WDEREUQCSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(c2ccccc2)CC1)C(=O)[O-]	ZINC000910918767	622487191	/nfs/dbraw/zinc/48/71/91/622487191.db2.gz	PGURLALKHRRXEH-CQSZACIVSA-N	-1	0	287.359	2.644	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-]	ZINC000910918207	622487303	/nfs/dbraw/zinc/48/73/03/622487303.db2.gz	IQHBEEZPSUMRNA-CYBMUJFWSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)[O-]	ZINC000910918449	622487320	/nfs/dbraw/zinc/48/73/20/622487320.db2.gz	LJVOTNRIHQJVNO-XMXAVACDSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H](C)c1ccco1)C(=O)[O-]	ZINC000910922874	622487749	/nfs/dbraw/zinc/48/77/49/622487749.db2.gz	OCHFGVXVZKVYRS-VXGBXAGGSA-N	-1	0	279.336	2.699	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)[O-]	ZINC000910922160	622487863	/nfs/dbraw/zinc/48/78/63/622487863.db2.gz	HSFPECJOEXXVMN-UTUOFQBUSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1CCC(=C)CC1)C(=O)[O-]	ZINC000910923689	622488170	/nfs/dbraw/zinc/48/81/70/622488170.db2.gz	VQYKQEJJXFHPOB-CYBMUJFWSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000910925147	622488218	/nfs/dbraw/zinc/48/82/18/622488218.db2.gz	HXYKRZJOQLZPCL-LBPRGKRZSA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-]	ZINC000910925650	622488320	/nfs/dbraw/zinc/48/83/20/622488320.db2.gz	MYZXVBPJNSKXKN-SECBINFHSA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000910923841	622488450	/nfs/dbraw/zinc/48/84/50/622488450.db2.gz	WBKLJAWNHJDQPH-STQMWFEESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C1CCC(CNC(=O)Cc2cccc(C(=O)[O-])c2)CC1	ZINC000910989519	622496177	/nfs/dbraw/zinc/49/61/77/622496177.db2.gz	AKTKQMZUPOFYSK-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
CS[C@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000819812619	622561822	/nfs/dbraw/zinc/56/18/22/622561822.db2.gz	FFYVGFYIAKWVAA-NSHDSACASA-N	-1	0	268.313	2.817	20	30		CFEDRM
C[C@H](NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccncc1	ZINC000819819409	622564230	/nfs/dbraw/zinc/56/42/30/622564230.db2.gz	ZCIUYHRDMUBJCQ-UHIISALHSA-N	-1	0	275.352	2.609	20	30		CFEDRM
COc1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)on1	ZINC000821022081	622823849	/nfs/dbraw/zinc/82/38/49/622823849.db2.gz	NZWKDVMXXRMYRU-NSCUHMNNSA-N	-1	0	281.214	2.563	20	30		CFEDRM
O=C(/C=C/c1cnc2ccccn12)c1ccccc1[O-]	ZINC000156600317	622948322	/nfs/dbraw/zinc/94/83/22/622948322.db2.gz	WHXLKDGDVPPEOC-CMDGGOBGSA-N	-1	0	264.284	2.936	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cc(O)ccc2O)cc1	ZINC000156662044	622955419	/nfs/dbraw/zinc/95/54/19/622955419.db2.gz	VVGOORZLIISLSV-XBXARRHUSA-N	-1	0	298.294	2.781	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(C)cc2[O-])cn1	ZINC000156706337	622956248	/nfs/dbraw/zinc/95/62/48/622956248.db2.gz	HXJMZKYRLHBFPD-FNORWQNLSA-N	-1	0	256.305	2.813	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045099915	622964856	/nfs/dbraw/zinc/96/48/56/622964856.db2.gz	VDDJWQRPYZKDON-UHFFFAOYSA-N	-1	0	297.307	2.562	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000046929413	623105462	/nfs/dbraw/zinc/10/54/62/623105462.db2.gz	UMHKXNGGHPGHIO-UHFFFAOYSA-N	-1	0	283.349	2.725	20	30		CFEDRM
CCc1ccc(-c2ccc(C(=O)[N-]S(C)(=O)=O)o2)cc1	ZINC000076758585	623138860	/nfs/dbraw/zinc/13/88/60/623138860.db2.gz	WXBNQGAYISUXNS-UHFFFAOYSA-N	-1	0	293.344	2.773	20	30		CFEDRM
CC[C@H](CNc1ccc(Br)cc1C#N)C(=O)[O-]	ZINC000229158515	623186368	/nfs/dbraw/zinc/18/63/68/623186368.db2.gz	SCEPGJGPUKKTTQ-MRVPVSSYSA-N	-1	0	297.152	2.843	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)c(C)c1	ZINC000171480835	623225600	/nfs/dbraw/zinc/22/56/00/623225600.db2.gz	FHSWXQRJGWCJNB-CYBMUJFWSA-N	-1	0	290.338	2.763	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(F)F)c1	ZINC000171565981	623230451	/nfs/dbraw/zinc/23/04/51/623230451.db2.gz	URTPOQAIYWKFPK-LBPRGKRZSA-N	-1	0	292.285	2.569	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C#N)c(Cl)c1	ZINC000061845298	623237979	/nfs/dbraw/zinc/23/79/79/623237979.db2.gz	NASPKEIGBYXBNF-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)c1ccc(F)cc1)C(=O)[O-]	ZINC000823368956	623299958	/nfs/dbraw/zinc/29/99/58/623299958.db2.gz	GTIGHXAQHQFLPA-IWMPZKFUSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(F)cc1	ZINC000824033554	623437761	/nfs/dbraw/zinc/43/77/61/623437761.db2.gz	OMVVDVASUWIDPT-UWVGGRQHSA-N	-1	0	269.341	2.929	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1ccccc1C(=O)[O-]	ZINC000757461364	623484319	/nfs/dbraw/zinc/48/43/19/623484319.db2.gz	LXZXVJYQNLNMBK-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](OCC1CCCC1)c1ccccc1	ZINC000825136975	623637627	/nfs/dbraw/zinc/63/76/27/623637627.db2.gz	IJCPAXOWGIEQRM-MRXNPFEDSA-N	-1	0	287.359	2.616	20	30		CFEDRM
C=CCC1(C(=O)[N-]O[C@H]2CCCCO2)CCCC1	ZINC000825553854	623714347	/nfs/dbraw/zinc/71/43/47/623714347.db2.gz	CNGWCPSPWIZMEA-LBPRGKRZSA-N	-1	0	253.342	2.697	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC23CCSCC3)c1	ZINC000826603792	623822448	/nfs/dbraw/zinc/82/24/48/623822448.db2.gz	KHSZNLWEFLEPDL-LLVKDONJSA-N	-1	0	288.372	2.736	20	30		CFEDRM
CC(=NOC[C@@H]1CCOC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814912517	623887898	/nfs/dbraw/zinc/88/78/98/623887898.db2.gz	VTZZARHFYBEFGE-DGCLKSJQSA-N	-1	0	271.357	2.697	20	30		CFEDRM
CC[C@H](C)NN=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814912849	623897181	/nfs/dbraw/zinc/89/71/81/623897181.db2.gz	CACGTLZADFXAEV-JQWIXIFHSA-N	-1	0	278.352	2.651	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2Cc3ccccc3O2)c1	ZINC000914701880	623923051	/nfs/dbraw/zinc/92/30/51/623923051.db2.gz	QIJUWLCELCEVKJ-KDVQLTRESA-N	-1	0	298.298	2.723	20	30		CFEDRM
CC[C@H](CNc1ccc(C#N)cc1Br)C(=O)[O-]	ZINC000213269564	623931826	/nfs/dbraw/zinc/93/18/26/623931826.db2.gz	UMRHKVYAJVFREY-SECBINFHSA-N	-1	0	297.152	2.843	20	30		CFEDRM
CCC(=NOC[C@H]1CCOC1)c1ccc(O)c(F)c1	ZINC000788034034	623972339	/nfs/dbraw/zinc/97/23/39/623972339.db2.gz	NKPGTVQYXJYHEV-JTQLQIEISA-N	-1	0	267.300	2.699	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)cc(F)c2[O-])C1	ZINC000827650519	624052166	/nfs/dbraw/zinc/05/21/66/624052166.db2.gz	RAJNHGRLSQJKSR-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(CC)cc1	ZINC000915945355	624192161	/nfs/dbraw/zinc/19/21/61/624192161.db2.gz	OZCPHHZMDVDVLB-UHFFFAOYSA-N	-1	0	285.351	2.674	20	30		CFEDRM
CC(C)(C)n1cc(C=NNc2ccc(C(=O)[O-])cc2)cn1	ZINC000915932858	624193788	/nfs/dbraw/zinc/19/37/88/624193788.db2.gz	BHAZEFQQCYQYPW-UHFFFAOYSA-N	-1	0	286.335	2.782	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(C)c(C)cc1C	ZINC000916282406	624235824	/nfs/dbraw/zinc/23/58/24/624235824.db2.gz	DHJADRCRAZQFIG-UHFFFAOYSA-N	-1	0	285.351	2.647	20	30		CFEDRM
Fc1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1	ZINC000916304985	624238391	/nfs/dbraw/zinc/23/83/91/624238391.db2.gz	JEIMPCKTWISJAW-UHFFFAOYSA-N	-1	0	290.245	2.607	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)sc1C	ZINC000916877060	624290314	/nfs/dbraw/zinc/29/03/14/624290314.db2.gz	NRZFCISVLNKESO-ZDUSSCGKSA-N	-1	0	292.404	2.994	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000916917421	624292072	/nfs/dbraw/zinc/29/20/72/624292072.db2.gz	CZLNZSVIECZGSB-VIFPVBQESA-N	-1	0	297.141	2.618	20	30		CFEDRM
Cc1[n-]n(Cc2ccccc2C)c(=O)c1CCC#N	ZINC000917345936	624333573	/nfs/dbraw/zinc/33/35/73/624333573.db2.gz	RFIQXSUYYFAZJN-AWEZNQCLSA-N	-1	0	255.321	2.633	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1O	ZINC000034156604	624627070	/nfs/dbraw/zinc/62/70/70/624627070.db2.gz	AJNOWISYVUNSPB-LREOWRDNSA-N	-1	0	284.267	2.692	20	30		CFEDRM
Cc1cc(C)nc(N=NCc2ccc(O)c(Cl)c2)n1	ZINC000921254821	624827288	/nfs/dbraw/zinc/82/72/88/624827288.db2.gz	SLBBTGVGFBWTCO-UHFFFAOYSA-N	-1	0	276.727	2.898	20	30		CFEDRM
CC1(C)CCC[C@](O)(C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000831271308	624980751	/nfs/dbraw/zinc/98/07/51/624980751.db2.gz	FBXAFZLNHVZJAI-MRXNPFEDSA-N	-1	0	288.347	2.534	20	30		CFEDRM
CO[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC000831272355	624981136	/nfs/dbraw/zinc/98/11/36/624981136.db2.gz	VMCNXLDHTWIVIQ-HNNXBMFYSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000069536180	625147415	/nfs/dbraw/zinc/14/74/15/625147415.db2.gz	ZDUVOMBGJGSKGM-UHFFFAOYSA-N	-1	0	287.406	2.702	20	30		CFEDRM
C=C[C@@H](CC(=O)[N-]S(=O)(=O)[C@H](C)CC)c1ccccc1	ZINC000181966167	625241269	/nfs/dbraw/zinc/24/12/69/625241269.db2.gz	FJSQVGBZGMVQFD-OLZOCXBDSA-N	-1	0	295.404	2.591	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(C)C)cc1	ZINC000073087360	625771792	/nfs/dbraw/zinc/77/17/92/625771792.db2.gz	OVOIRUYAOGWQSH-SNVBAGLBSA-N	-1	0	285.365	2.633	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000851615923	634456347	/nfs/dbraw/zinc/45/63/47/634456347.db2.gz	KXHLAJJTLUFSKG-ZDUSSCGKSA-N	-1	0	285.343	2.569	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)c1nccc2ccccc21	ZINC000073289726	625820795	/nfs/dbraw/zinc/82/07/95/625820795.db2.gz	AURZNODHRGSJDP-UHFFFAOYSA-N	-1	0	292.360	2.525	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000851605362	634453795	/nfs/dbraw/zinc/45/37/95/634453795.db2.gz	HICQUAIZHIENRL-IEHMKBBKSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000851605361	634454014	/nfs/dbraw/zinc/45/40/14/634454014.db2.gz	HICQUAIZHIENRL-HIJJYWJESA-N	-1	0	277.320	2.852	20	30		CFEDRM
CCCON=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000842551968	625940560	/nfs/dbraw/zinc/94/05/60/625940560.db2.gz	VTJUKAXUIDZVKQ-NSHDSACASA-N	-1	0	265.309	2.689	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000835008489	625955195	/nfs/dbraw/zinc/95/51/95/625955195.db2.gz	JWQVWFHIDGKGNJ-TZMCWYRMSA-N	-1	0	274.364	2.961	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCSC2)cc1F	ZINC000835009350	625955817	/nfs/dbraw/zinc/95/58/17/625955817.db2.gz	RBHNFHUIRTZWQF-MRVPVSSYSA-N	-1	0	268.313	2.675	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC[C@@H]2CCCO)cn1	ZINC000835010044	625957116	/nfs/dbraw/zinc/95/71/16/625957116.db2.gz	MITCZWMELWESKZ-LLVKDONJSA-N	-1	0	291.351	2.510	20	30		CFEDRM
COC1(CC(C)N=Nc2ccc(C(=O)[O-])nc2)CCC1	ZINC000835009917	625957176	/nfs/dbraw/zinc/95/71/76/625957176.db2.gz	HXEKRHRBBHWXJF-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
C=CCON=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000835014207	625959883	/nfs/dbraw/zinc/95/98/83/625959883.db2.gz	CIOTWHLBWICEIW-UHFFFAOYSA-N	-1	0	277.320	2.661	20	30		CFEDRM
C[C@@H]1C(=NN[C@H]2CCOC2(C)C)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000835020110	625966449	/nfs/dbraw/zinc/96/64/49/625966449.db2.gz	FCPZDHSRTKUCMB-MDZLAQPJSA-N	-1	0	296.411	2.656	20	30		CFEDRM
CC(=NN[C@@H]1CCOC1(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000835020708	625966515	/nfs/dbraw/zinc/96/65/15/625966515.db2.gz	JVKNCKLHCXPTDE-WCQYABFASA-N	-1	0	284.400	2.801	20	30		CFEDRM
CC(=NN[C@@H]1CCOC1(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000835022074	625967238	/nfs/dbraw/zinc/96/72/38/625967238.db2.gz	VQJVNNQYGWCCFB-FRRDWIJNSA-N	-1	0	296.411	2.656	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1COc2ccccc21	ZINC000073837938	626396175	/nfs/dbraw/zinc/39/61/75/626396175.db2.gz	JDSIIMSJKFVWIB-GFCCVEGCSA-N	-1	0	297.376	2.638	20	30		CFEDRM
CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)COC)c1ccccc1	ZINC000073839220	626396195	/nfs/dbraw/zinc/39/61/95/626396195.db2.gz	MNSYWGYJIIOADA-YPMHNXCESA-N	-1	0	299.392	2.501	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000923059900	626447337	/nfs/dbraw/zinc/44/73/37/626447337.db2.gz	PGZYNPLMBCOJSN-AWEZNQCLSA-N	-1	0	260.293	2.572	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1	ZINC000923057794	626448027	/nfs/dbraw/zinc/44/80/27/626448027.db2.gz	IOBBDZFBWIDBIC-QPJJXVBHSA-N	-1	0	284.315	2.663	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-]	ZINC000923105209	626451552	/nfs/dbraw/zinc/45/15/52/626451552.db2.gz	OWMATAKGHYHJGV-MRVPVSSYSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923127937	626452159	/nfs/dbraw/zinc/45/21/59/626452159.db2.gz	MLWGQAAGYRUZLU-INIZCTEOSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923212384	626457008	/nfs/dbraw/zinc/45/70/08/626457008.db2.gz	WTQIFZLIHVSIRW-CYBMUJFWSA-N	-1	0	297.395	2.652	20	30		CFEDRM
C#CCCCCC(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923213923	626457241	/nfs/dbraw/zinc/45/72/41/626457241.db2.gz	HUIVWIOHEABGOF-UHFFFAOYSA-N	-1	0	279.380	2.864	20	30		CFEDRM
C#Cc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1	ZINC000923216377	626457428	/nfs/dbraw/zinc/45/74/28/626457428.db2.gz	XHHAYGAHAIWEEZ-UHFFFAOYSA-N	-1	0	299.370	2.965	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(O)ccc3C2=O)cc1	ZINC000187223976	626481494	/nfs/dbraw/zinc/48/14/94/626481494.db2.gz	HOHHINICBYAWNN-QPEQYQDCSA-N	-1	0	280.279	2.913	20	30		CFEDRM
CC1(C#N)CN(Cc2cccc(Br)c2[O-])C1	ZINC000839131829	626527832	/nfs/dbraw/zinc/52/78/32/626527832.db2.gz	DPKAHLUHMAOFLI-UHFFFAOYSA-N	-1	0	281.153	2.500	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c(C)n[nH]c2C)c([O-])c1	ZINC000757473212	626553148	/nfs/dbraw/zinc/55/31/48/626553148.db2.gz	UPRFBVDGFHQDAT-SREVYHEPSA-N	-1	0	272.304	2.637	20	30		CFEDRM
O=C(/C=C/c1cnc(N2CCCC2)nc1)c1ccccc1[O-]	ZINC000757473705	626553231	/nfs/dbraw/zinc/55/32/31/626553231.db2.gz	GOINVALEJCBVTE-BQYQJAHWSA-N	-1	0	295.342	2.679	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])cn1	ZINC000757476851	626553291	/nfs/dbraw/zinc/55/32/91/626553291.db2.gz	UVBOZLITMUKDQJ-ARJAWSKDSA-N	-1	0	278.258	2.783	20	30		CFEDRM
CC(=NNCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758094822	626576106	/nfs/dbraw/zinc/57/61/06/626576106.db2.gz	GEHTVOLCBYGVJW-UHFFFAOYSA-N	-1	0	285.303	2.814	20	30		CFEDRM
C#CCNC(=S)[N-]c1ccccc1SC[C@H](C)C#N	ZINC000758236800	626584260	/nfs/dbraw/zinc/58/42/60/626584260.db2.gz	ZTDAOCGALVXSGN-LLVKDONJSA-N	-1	0	289.429	2.858	20	30		CFEDRM
CC[C@@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000758374245	626590295	/nfs/dbraw/zinc/59/02/95/626590295.db2.gz	PQXMWMSYYYTXOH-SSDOTTSWSA-N	-1	0	254.721	2.814	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000758506296	626596260	/nfs/dbraw/zinc/59/62/60/626596260.db2.gz	WTVSDFNHGUUFMJ-UHFFFAOYSA-N	-1	0	299.417	2.630	20	30		CFEDRM
N#Cc1cnc(NC(=O)c2cc(-c3ccccc3)no2)s1	ZINC000759132265	626630269	/nfs/dbraw/zinc/63/02/69/626630269.db2.gz	PCMHTOYIPYZQQS-UHFFFAOYSA-N	-1	0	296.311	2.922	20	30		CFEDRM
N#CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000760344547	626737325	/nfs/dbraw/zinc/73/73/25/626737325.db2.gz	IKYOSPCMVMJPIT-LBPRGKRZSA-N	-1	0	294.339	2.582	20	30		CFEDRM
COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763371479	626983415	/nfs/dbraw/zinc/98/34/15/626983415.db2.gz	BNNNHJIPVQDWSG-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCc2ccc(F)cc2)nc1	ZINC000763377748	626984324	/nfs/dbraw/zinc/98/43/24/626984324.db2.gz	WZBLHWXMORZUAZ-UHFFFAOYSA-N	-1	0	273.267	2.559	20	30		CFEDRM
COc1ccsc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000764641225	627079239	/nfs/dbraw/zinc/07/92/39/627079239.db2.gz	QGWBJHLUIBIFMN-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
CC(N=Nc1ccccn1)c1cccc(C(=O)[O-])c1	ZINC000764667007	627081746	/nfs/dbraw/zinc/08/17/46/627081746.db2.gz	XLRFWAGVGVVOSH-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
CCC(CC)NN=C(C)c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000764692193	627085067	/nfs/dbraw/zinc/08/50/67/627085067.db2.gz	NDXCDKYEVJLLBO-UHFFFAOYSA-N	-1	0	295.339	2.811	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cc(F)cc(F)c1[O-]	ZINC000764846002	627101283	/nfs/dbraw/zinc/10/12/83/627101283.db2.gz	DFCCQIXNPICRNF-UHFFFAOYSA-N	-1	0	269.169	2.973	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2cc(Cl)c(Cl)cc2[O-])nn1	ZINC000766034814	627173381	/nfs/dbraw/zinc/17/33/81/627173381.db2.gz	SLNKMWYKCIXMGI-IHWYPQMZSA-N	-1	0	298.129	2.724	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000766432756	627203022	/nfs/dbraw/zinc/20/30/22/627203022.db2.gz	ZWCITOWPLKBIGS-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
N#CCSCCCOC(=O)c1ccc([O-])c(Cl)c1	ZINC000805336323	627222967	/nfs/dbraw/zinc/22/29/67/627222967.db2.gz	KZFXQYKORFSLJN-UHFFFAOYSA-N	-1	0	285.752	2.849	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cncc(C)c1	ZINC000767351440	627244664	/nfs/dbraw/zinc/24/46/64/627244664.db2.gz	BNCSCDSIULYGSW-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cncc(C)c1	ZINC000767359440	627245000	/nfs/dbraw/zinc/24/50/00/627245000.db2.gz	HRXQLWVDQYVLOV-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cscn1	ZINC000767892998	627291523	/nfs/dbraw/zinc/29/15/23/627291523.db2.gz	LAPWCEQQANYCAC-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
CCC[C@H](CN=Nc1nnc(C)c(=O)[n-]1)c1ccccc1	ZINC000769570468	627456921	/nfs/dbraw/zinc/45/69/21/627456921.db2.gz	ZNXIWOFYCMLASQ-CYBMUJFWSA-N	-1	0	285.351	2.867	20	30		CFEDRM
CCc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000770127607	627504108	/nfs/dbraw/zinc/50/41/08/627504108.db2.gz	FYUZWSHZHNUDOM-UHFFFAOYSA-N	-1	0	282.299	2.784	20	30		CFEDRM
CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(C(=O)[O-])o1	ZINC000773056487	627775554	/nfs/dbraw/zinc/77/55/54/627775554.db2.gz	XOJHUHFKCDSOJJ-UHFFFAOYSA-N	-1	0	298.302	2.701	20	30		CFEDRM
COc1cc(F)cc(NN=C(C)c2ccc(C(=O)[O-])o2)c1	ZINC000773069858	627778565	/nfs/dbraw/zinc/77/85/65/627778565.db2.gz	XROCROUNVXKYQG-UHFFFAOYSA-N	-1	0	292.266	2.962	20	30		CFEDRM
C=C(C)[C@H](NC(=O)CCCC(=O)[O-])c1ccc(F)c(F)c1	ZINC000773899329	627869301	/nfs/dbraw/zinc/86/93/01/627869301.db2.gz	GEFFMDOPPHDSMD-HNNXBMFYSA-N	-1	0	297.301	2.953	20	30		CFEDRM
C#C[C@@H](C)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000775383819	628017936	/nfs/dbraw/zinc/01/79/36/628017936.db2.gz	KQCMNPMXWJZNMA-SECBINFHSA-N	-1	0	273.719	2.950	20	30		CFEDRM
C#CCN(CC#CC)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775707259	628058004	/nfs/dbraw/zinc/05/80/04/628058004.db2.gz	FRBXKTLKRKAPRR-UHFFFAOYSA-N	-1	0	265.715	2.643	20	30		CFEDRM
N#CCc1ccccc1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000777428311	628224718	/nfs/dbraw/zinc/22/47/18/628224718.db2.gz	SQSUKARYZNCBKG-UHFFFAOYSA-N	-1	0	291.310	2.511	20	30		CFEDRM
Cc1cnc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c([O-])c1	ZINC000779065468	628349588	/nfs/dbraw/zinc/34/95/88/628349588.db2.gz	RJIHYCUUAUAQQE-NSHDSACASA-N	-1	0	297.314	2.639	20	30		CFEDRM
CC[C@H]1C[C@H](CN=Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000779754465	628399912	/nfs/dbraw/zinc/39/99/12/628399912.db2.gz	UIYYOJCHCBHDKZ-RISCZKNCSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@H]1C[C@@H](CN=Nc2cccc(C(=O)[O-])c2)CCO1	ZINC000779754463	628400108	/nfs/dbraw/zinc/40/01/08/628400108.db2.gz	UIYYOJCHCBHDKZ-FZMZJTMJSA-N	-1	0	276.336	2.988	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2\Cc3cc(O)ccc3C2=O)c1	ZINC000780187994	628438143	/nfs/dbraw/zinc/43/81/43/628438143.db2.gz	JBXCMHFFBSYPIO-NTUHNPAUSA-N	-1	0	280.279	2.913	20	30		CFEDRM
COc1ccc(N=NC(C)c2ccc(C(=O)[O-])cc2)nc1	ZINC000780276003	628449745	/nfs/dbraw/zinc/44/97/45/628449745.db2.gz	IXTLROKXXLIUEE-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC(C)(CC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000781806249	628583140	/nfs/dbraw/zinc/58/31/40/628583140.db2.gz	JSYAPANWQBVHPX-UHFFFAOYSA-N	-1	0	269.160	2.734	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cccnc2)c1	ZINC000782200621	628613802	/nfs/dbraw/zinc/61/38/02/628613802.db2.gz	WDRKGRORSGKTRZ-ONEGZZNKSA-N	-1	0	259.286	2.737	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C\c1cc(C(=O)[O-])cs1	ZINC000782201544	628613821	/nfs/dbraw/zinc/61/38/21/628613821.db2.gz	UMOCNIZPORSUSK-PLNGDYQASA-N	-1	0	290.344	2.693	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cc(O)cc(O)c2)c1	ZINC000782207848	628614933	/nfs/dbraw/zinc/61/49/33/628614933.db2.gz	STVUDFDTEOXCQD-UPHRSURJSA-N	-1	0	290.296	2.754	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\CC[C@H]2CCOC2)c1[O-]	ZINC000783686369	628734621	/nfs/dbraw/zinc/73/46/21/628734621.db2.gz	ZQAOCZSXKBPWEW-KLLFSAEGSA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1nnc(N=NC2C[C@H](C)CC[C@@H]2C(C)C)[n-]c1=O	ZINC000785448941	628884421	/nfs/dbraw/zinc/88/44/21/628884421.db2.gz	FURSZXIWRKVFDB-MWLCHTKSSA-N	-1	0	277.372	2.746	20	30		CFEDRM
C=C(Cl)CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	ZINC000805788480	628916795	/nfs/dbraw/zinc/91/67/95/628916795.db2.gz	HUYMCCLOIUTEDD-HGNGGELXSA-N	-1	0	298.736	2.516	20	30		CFEDRM
C=C[C@](C)(CC)COC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000786528382	628966423	/nfs/dbraw/zinc/96/64/23/628966423.db2.gz	NXFDANSXONGRMX-GFCCVEGCSA-N	-1	0	252.270	2.682	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)N(C)Cc2ccccc2)o1	ZINC000787064520	628990867	/nfs/dbraw/zinc/99/08/67/628990867.db2.gz	AMJPTCYBVCGASQ-AWEZNQCLSA-N	-1	0	296.326	2.569	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cncs1	ZINC000787170788	628997529	/nfs/dbraw/zinc/99/75/29/628997529.db2.gz	CFOSMWCIYBURES-DAFODLJHSA-N	-1	0	276.273	2.653	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cncs1	ZINC000787171942	628997565	/nfs/dbraw/zinc/99/75/65/628997565.db2.gz	REUCFJYHENRLMS-DUXPYHPUSA-N	-1	0	276.273	2.653	20	30		CFEDRM
CCCCC[C@@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)[O-]	ZINC000788314484	629058166	/nfs/dbraw/zinc/05/81/66/629058166.db2.gz	DGWBEKPEQVDACE-CYBMUJFWSA-N	-1	0	289.335	2.713	20	30		CFEDRM
Cc1ccc(N=NC(C)c2cc(C(=O)[O-])ccc2C)nn1	ZINC000788429620	629066099	/nfs/dbraw/zinc/06/60/99/629066099.db2.gz	LEZNBFYQZURHJJ-UHFFFAOYSA-N	-1	0	284.319	2.628	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1coc(C)n1	ZINC000788980031	629113146	/nfs/dbraw/zinc/11/31/46/629113146.db2.gz	CUZOEQSEJQKJAT-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
CCN(C)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)cn1	ZINC000790141487	629212898	/nfs/dbraw/zinc/21/28/98/629212898.db2.gz	JKGGBHTXVLVYPE-UHFFFAOYSA-N	-1	0	298.346	2.682	20	30		CFEDRM
CC(=NNc1ncccc1C)c1ccccc1C(=O)[O-]	ZINC000790193007	629218508	/nfs/dbraw/zinc/21/85/08/629218508.db2.gz	NURDZYORETUMHQ-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC(=NNc1ncccc1C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000790192848	629218541	/nfs/dbraw/zinc/21/85/41/629218541.db2.gz	GZPFERFFFUOGDL-UHFFFAOYSA-N	-1	0	286.291	2.840	20	30		CFEDRM
Cc1cccnc1N=NC(C)c1ccc(CC(=O)[O-])cc1	ZINC000790193599	629218906	/nfs/dbraw/zinc/21/89/06/629218906.db2.gz	JIWHEARWSYKQFC-UHFFFAOYSA-N	-1	0	283.331	2.853	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC3(CC3)CC2)nc1	ZINC000792634882	629440865	/nfs/dbraw/zinc/44/08/65/629440865.db2.gz	JYELTTDTSABTPC-UHFFFAOYSA-N	-1	0	259.309	2.902	20	30		CFEDRM
CC[C@@H](NN=C(C)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000793054209	629480053	/nfs/dbraw/zinc/48/00/53/629480053.db2.gz	CWUHBNZOPMUTLJ-SNVBAGLBSA-N	-1	0	283.397	2.752	20	30		CFEDRM
CCCC(Cc1ccccc1)=NN[C@@H](CC)C(=O)[O-]	ZINC000793055563	629480734	/nfs/dbraw/zinc/48/07/34/629480734.db2.gz	ACSSLCSHACLDMC-AWEZNQCLSA-N	-1	0	262.353	2.838	20	30		CFEDRM
CC[C@H](NN=C(C)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000793055681	629480981	/nfs/dbraw/zinc/48/09/81/629480981.db2.gz	OCXMSSCUNLLYSQ-JTQLQIEISA-N	-1	0	262.300	2.641	20	30		CFEDRM
CC[C@H](NN=C1CC(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000793058594	629481397	/nfs/dbraw/zinc/48/13/97/629481397.db2.gz	WGKSCCYXAFLALN-PYMCNQPYSA-N	-1	0	260.337	2.681	20	30		CFEDRM
CCC(Cc1cccs1)=NN[C@@H](CC)C(=O)[O-]	ZINC000793057728	629481657	/nfs/dbraw/zinc/48/16/57/629481657.db2.gz	PVPFTLHDJHHOJD-NSHDSACASA-N	-1	0	254.355	2.509	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1cc(C)ccc1OC	ZINC000793057652	629481659	/nfs/dbraw/zinc/48/16/59/629481659.db2.gz	OXFOSUDZDDMLMY-CYBMUJFWSA-N	-1	0	278.352	2.571	20	30		CFEDRM
CCO[C@@H]1CC(=NN[C@@H](CC)C(=O)[O-])C12CCCCC2	ZINC000793059138	629481674	/nfs/dbraw/zinc/48/16/74/629481674.db2.gz	YODJVFZYPQWNGU-WCQYABFASA-N	-1	0	282.384	2.555	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000793073938	629483692	/nfs/dbraw/zinc/48/36/92/629483692.db2.gz	YBRQJTXFLWYJIN-SECBINFHSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@@](C)(c2ccccc2)C1)C(=O)[O-]	ZINC000793077338	629484373	/nfs/dbraw/zinc/48/43/73/629484373.db2.gz	DJXHWPCVSASJLK-GDBMZVCRSA-N	-1	0	274.364	2.937	20	30		CFEDRM
CC[C@@H](NN=C1CCc2[nH]c3ccc(C)cc3c2C1)C(=O)[O-]	ZINC000793077632	629484543	/nfs/dbraw/zinc/48/45/43/629484543.db2.gz	GBXKNVSOJZMIEZ-CQSZACIVSA-N	-1	0	299.374	2.774	20	30		CFEDRM
CC[C@H](NN=C1CCc2[nH]c3ccc(C)cc3c2C1)C(=O)[O-]	ZINC000793077628	629484600	/nfs/dbraw/zinc/48/46/00/629484600.db2.gz	GBXKNVSOJZMIEZ-AWEZNQCLSA-N	-1	0	299.374	2.774	20	30		CFEDRM
CC[C@H](NN=Cc1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000793081273	629485100	/nfs/dbraw/zinc/48/51/00/629485100.db2.gz	JBMUSHXSWFXNHC-JTQLQIEISA-N	-1	0	275.135	2.780	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\C1COCCOC1	ZINC000793655027	629582838	/nfs/dbraw/zinc/58/28/38/629582838.db2.gz	NYDZSGOYAGRKGH-WCSRMQSCSA-N	-1	0	290.146	2.533	20	30		CFEDRM
CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000793734471	629589524	/nfs/dbraw/zinc/58/95/24/629589524.db2.gz	BQAQQYUGNVJSEJ-DGCLKSJQSA-N	-1	0	288.347	2.798	20	30		CFEDRM
COCCCNN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000794541449	629657904	/nfs/dbraw/zinc/65/79/04/629657904.db2.gz	NBRIFOKLRYJUCW-UHFFFAOYSA-N	-1	0	277.151	2.659	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)CSCc1ccc(C#N)cc1	ZINC000794854743	629695280	/nfs/dbraw/zinc/69/52/80/629695280.db2.gz	WRVOERQJQCBEPP-GFCCVEGCSA-N	-1	0	292.404	2.885	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cnn(C)c1	ZINC000794934427	629706845	/nfs/dbraw/zinc/70/68/45/629706845.db2.gz	KRBDXQWHPPDVPK-SNAWJCMRSA-N	-1	0	284.315	2.631	20	30		CFEDRM
CC(N=Nc1ncccc1F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000794994572	629719659	/nfs/dbraw/zinc/71/96/59/629719659.db2.gz	XJWMIDIMZZMNCN-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@H](CCCCC)C(=O)[O-])c1	ZINC000797736711	630098681	/nfs/dbraw/zinc/09/86/81/630098681.db2.gz	BLWCXOMKEOGXFL-CQSZACIVSA-N	-1	0	288.347	2.823	20	30		CFEDRM
C#Cc1cccc(NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000797737185	630098932	/nfs/dbraw/zinc/09/89/32/630098932.db2.gz	SWACPWQBCXFSRM-AWEZNQCLSA-N	-1	0	288.347	2.631	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000835947467	630169090	/nfs/dbraw/zinc/16/90/90/630169090.db2.gz	HLOMJUSOPOZYEB-LBPRGKRZSA-N	-1	0	287.425	2.615	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cc(C(F)(F)F)[nH]n2)c1	ZINC000799465000	630311092	/nfs/dbraw/zinc/31/10/92/630311092.db2.gz	VIXYWPVULSZSNV-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])ccc1C#N	ZINC000799497520	630315621	/nfs/dbraw/zinc/31/56/21/630315621.db2.gz	SXZRIBBMFZBZQZ-XVNBXDOJSA-N	-1	0	295.294	2.874	20	30		CFEDRM
Cc1[nH]c(C=NNCc2ccccc2Cl)cc1C(=O)[O-]	ZINC000800811328	630407178	/nfs/dbraw/zinc/40/71/78/630407178.db2.gz	PWPOCYNGENIZRR-UHFFFAOYSA-N	-1	0	291.738	2.798	20	30		CFEDRM
COCCCn1nccc1C=CC(=O)c1sccc1[O-]	ZINC000802706621	630538820	/nfs/dbraw/zinc/53/88/20/630538820.db2.gz	UDQDIVYKEGIQIJ-ARJAWSKDSA-N	-1	0	292.360	2.583	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2ccc(F)nc2)c1	ZINC000806558660	630810931	/nfs/dbraw/zinc/81/09/31/630810931.db2.gz	INVDWAQZCKWMDI-XQRVVYSFSA-N	-1	0	271.247	2.815	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccc3nccn32)c1	ZINC000806558854	630812689	/nfs/dbraw/zinc/81/26/89/630812689.db2.gz	NNYDMXXCOJBRJC-BQYQJAHWSA-N	-1	0	292.294	2.929	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccnc2)c1	ZINC000806559607	630812757	/nfs/dbraw/zinc/81/27/57/630812757.db2.gz	CMEVXRPFYJENFW-SREVYHEPSA-N	-1	0	253.257	2.676	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)nn1	ZINC000806572268	630815389	/nfs/dbraw/zinc/81/53/89/630815389.db2.gz	YNRPKJOQGXNPJF-ARJAWSKDSA-N	-1	0	291.332	2.515	20	30		CFEDRM
Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000121448471	630858806	/nfs/dbraw/zinc/85/88/06/630858806.db2.gz	BPYLAOGAINTVAN-CYBMUJFWSA-N	-1	0	290.750	2.593	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccc(Cl)cc1	ZINC000837044428	630943530	/nfs/dbraw/zinc/94/35/30/630943530.db2.gz	MPXDTJJZNBRWDH-UHFFFAOYSA-N	-1	0	253.729	2.851	20	30		CFEDRM
C=CC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837862532	631143853	/nfs/dbraw/zinc/14/38/53/631143853.db2.gz	SXBWVQYOLZDZRH-UHFFFAOYSA-N	-1	0	265.265	2.556	20	30		CFEDRM
CC[C@@H]1OCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710130	631175738	/nfs/dbraw/zinc/17/57/38/631175738.db2.gz	HYUSBLGDHAVUOK-MAPUXQSFSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1cc(O)c(CN(CC#N)C2CC2)c(Cl)c1	ZINC000840911943	631260460	/nfs/dbraw/zinc/26/04/60/631260460.db2.gz	VFXAHJROMQASPH-UHFFFAOYSA-N	-1	0	250.729	2.842	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CC)Sc1ccccc1	ZINC000840943389	631273430	/nfs/dbraw/zinc/27/34/30/631273430.db2.gz	QJUBSBZUDPYOFV-CYBMUJFWSA-N	-1	0	293.388	2.657	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)COc1ccc(C)cc1C	ZINC000042344844	649998183	/nfs/dbraw/zinc/99/81/83/649998183.db2.gz	ZCHPKRHTHQIIOG-UHFFFAOYSA-N	-1	0	299.392	2.769	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000042320271	649998191	/nfs/dbraw/zinc/99/81/91/649998191.db2.gz	QASUXXILDNNHRP-CMDGGOBGSA-N	-1	0	267.350	2.990	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810533042	631383743	/nfs/dbraw/zinc/38/37/43/631383743.db2.gz	YIWIHYBBOYHWTP-MRXNPFEDSA-N	-1	0	296.370	2.945	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@@H]2C[C@@H]21	ZINC000841632334	631437565	/nfs/dbraw/zinc/43/75/65/631437565.db2.gz	MPZSJFOVFLSITM-KOLCDFICSA-N	-1	0	274.320	2.981	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)CC(C)C	ZINC000841640509	631441666	/nfs/dbraw/zinc/44/16/66/631441666.db2.gz	GSPVXFUEDQPVCY-LLVKDONJSA-N	-1	0	282.315	2.983	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@H]2CC)CC1	ZINC000810980512	631490370	/nfs/dbraw/zinc/49/03/70/631490370.db2.gz	BAKSZXJMEQZUGQ-CHWSQXEVSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1	ZINC000810988856	631491481	/nfs/dbraw/zinc/49/14/81/631491481.db2.gz	YZGWUTOQUCAFFL-CHWSQXEVSA-N	-1	0	299.436	2.758	20	30		CFEDRM
N#Cc1csc(/C=C2\Cc3c(ccc([O-])c3F)C2=O)n1	ZINC000811694819	631607314	/nfs/dbraw/zinc/60/73/14/631607314.db2.gz	UKBFVAUDHHDTJO-QPJJXVBHSA-N	-1	0	286.287	2.682	20	30		CFEDRM
CC(=NOC1CCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000812238545	631675777	/nfs/dbraw/zinc/67/57/77/631675777.db2.gz	ZNTWQKLJULTKMJ-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1ccc2c(c1)OCO2	ZINC000812441911	631719015	/nfs/dbraw/zinc/71/90/15/631719015.db2.gz	IVJAFCYBFHEAIR-UHFFFAOYSA-N	-1	0	298.298	2.950	20	30		CFEDRM
Cc1[n-]c(=NOCCOC(C)C)c(Cl)cc1C#N	ZINC000812488845	631723115	/nfs/dbraw/zinc/72/31/15/631723115.db2.gz	NQRUPKNGLVVGKW-UHFFFAOYSA-N	-1	0	269.732	2.684	20	30		CFEDRM
Cc1nn(C)c(Cl)c1C=NNc1ccccc1C(=O)[O-]	ZINC000812490809	631726002	/nfs/dbraw/zinc/72/60/02/631726002.db2.gz	ZJJCYBCEEQPDIF-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C1/Oc2cc(O)ccc2C1=O	ZINC000812495608	631726975	/nfs/dbraw/zinc/72/69/75/631726975.db2.gz	MHGZVEKNTQQDDZ-WUXMJOGZSA-N	-1	0	290.706	2.704	20	30		CFEDRM
COc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000842941890	631788269	/nfs/dbraw/zinc/78/82/69/631788269.db2.gz	UFDIAKSPDNUYEO-SNVBAGLBSA-N	-1	0	299.355	2.914	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCCCC(=O)C2)c1	ZINC000813501222	631926942	/nfs/dbraw/zinc/92/69/42/631926942.db2.gz	UAHVMIDCZOVAKF-LBPRGKRZSA-N	-1	0	286.331	2.742	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000844003834	632093642	/nfs/dbraw/zinc/09/36/42/632093642.db2.gz	TZERWJPWPURKRU-NSHDSACASA-N	-1	0	277.751	2.921	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@H]2C(C)(C)C#N)n1	ZINC000814681280	632107071	/nfs/dbraw/zinc/10/70/71/632107071.db2.gz	FEODQHINEBKSLQ-SNVBAGLBSA-N	-1	0	273.340	2.608	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)CC2(C(=O)[O-])CCC2)n1	ZINC000814681667	632107818	/nfs/dbraw/zinc/10/78/18/632107818.db2.gz	WZWSDBQOYWLCME-UHFFFAOYSA-N	-1	0	276.340	2.526	20	30		CFEDRM
C[C@H]1CC(N=Nc2nncc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000814706348	632111334	/nfs/dbraw/zinc/11/13/34/632111334.db2.gz	XZVRIQAUALMFKD-GXFFZTMASA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[C@H]1C(=O)[O-]	ZINC000814709237	632111585	/nfs/dbraw/zinc/11/15/85/632111585.db2.gz	WCGSMIXOEVQIMV-MWLCHTKSSA-N	-1	0	286.335	2.852	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2N=Nc1ccccn1	ZINC000814731914	632115413	/nfs/dbraw/zinc/11/54/13/632115413.db2.gz	ORZLOHXLLAOPML-UHFFFAOYSA-N	-1	0	281.315	2.932	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc(C#N)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814787331	632123618	/nfs/dbraw/zinc/12/36/18/632123618.db2.gz	YVESSKCNUGYCAC-CMPLNLGQSA-N	-1	0	271.320	2.847	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc(C#N)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814803246	632127297	/nfs/dbraw/zinc/12/72/97/632127297.db2.gz	OIDDMTLOLYWSEN-CMPLNLGQSA-N	-1	0	271.320	2.847	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cccc(F)c1	ZINC000814804689	632127952	/nfs/dbraw/zinc/12/79/52/632127952.db2.gz	BFYHCCZRUQFAHQ-JQWIXIFHSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cnc2ccccc2n1	ZINC000814830312	632133697	/nfs/dbraw/zinc/13/36/97/632133697.db2.gz	GVOSRRLITOFQGR-MNOVXSKESA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc(F)cn1	ZINC000814842958	632136821	/nfs/dbraw/zinc/13/68/21/632136821.db2.gz	WGAAKUXRCNTFLV-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1cc(C(=O)[O-])cs1	ZINC000814843436	632137122	/nfs/dbraw/zinc/13/71/22/632137122.db2.gz	FHCDSSXYZOYZQI-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](C(=O)[O-])C[C@H]2C)n1	ZINC000814855014	632139836	/nfs/dbraw/zinc/13/98/36/632139836.db2.gz	DBMBNMXSSZNOQB-APPZFPTMSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814868311	632143037	/nfs/dbraw/zinc/14/30/37/632143037.db2.gz	ODMSTRJNSLWQKH-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C(N=NCCc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814875689	632145118	/nfs/dbraw/zinc/14/51/18/632145118.db2.gz	RZGRBYWEDHKRLA-AAEUAGOBSA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(C#N)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814882117	632147648	/nfs/dbraw/zinc/14/76/48/632147648.db2.gz	DNYIUWKAVNISSG-RISCZKNCSA-N	-1	0	285.347	2.525	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NO[C@@H]1CCCCO1)CC2	ZINC000814887809	632149888	/nfs/dbraw/zinc/14/98/88/632149888.db2.gz	RHEVNIQUWUTGLF-OAHLLOKOSA-N	-1	0	289.331	2.773	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NO[C@H]2CCCCO2)C1	ZINC000814887655	632150296	/nfs/dbraw/zinc/15/02/96/632150296.db2.gz	QEGODZSQKWOTDY-LBAUFKAWSA-N	-1	0	289.331	2.702	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@H](CO)CCF	ZINC000844271076	632150518	/nfs/dbraw/zinc/15/05/18/632150518.db2.gz	LUZXIJKVHZIZCA-DSGHGPTJSA-N	-1	0	280.126	2.838	20	30		CFEDRM
CC(C)[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CS1	ZINC000814889820	632150771	/nfs/dbraw/zinc/15/07/71/632150771.db2.gz	AQIFLMSGMXXVJV-NSHDSACASA-N	-1	0	279.365	2.709	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccnc(F)c1	ZINC000814901882	632156078	/nfs/dbraw/zinc/15/60/78/632156078.db2.gz	APBURIRSOFZRSN-IUCAKERBSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(N=NCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814904646	632157304	/nfs/dbraw/zinc/15/73/04/632157304.db2.gz	SQROBTLWMXEERS-QMMMGPOBSA-N	-1	0	268.279	2.795	20	30		CFEDRM
O=C([O-])C1CCC(=NOCCC(F)(F)F)CC1	ZINC000814909858	632160773	/nfs/dbraw/zinc/16/07/73/632160773.db2.gz	MJWOVUUZPJYOTK-UHFFFAOYSA-N	-1	0	253.220	2.586	20	30		CFEDRM
Cc1cccnc1N=NC(C)CC1(C(=O)[O-])CCC1	ZINC000814911701	632161648	/nfs/dbraw/zinc/16/16/48/632161648.db2.gz	RLUCLLHXKHNFFU-UHFFFAOYSA-N	-1	0	261.325	2.823	20	30		CFEDRM
COc1ccccc1CON=Cc1cccc(C(=O)[O-])c1	ZINC000814923659	632167188	/nfs/dbraw/zinc/16/71/88/632167188.db2.gz	MHPFZXKZDSWFRP-UHFFFAOYSA-N	-1	0	285.299	2.944	20	30		CFEDRM
C=C(C)CNN=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000814932714	632171139	/nfs/dbraw/zinc/17/11/39/632171139.db2.gz	PQRHXDCOEBEECT-UHFFFAOYSA-N	-1	0	290.363	2.624	20	30		CFEDRM
C[C@@H]1C(=NN[C@H]2CCSC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933559	632172045	/nfs/dbraw/zinc/17/20/45/632172045.db2.gz	RUFAMENWWXECDG-OUAUKWLOSA-N	-1	0	284.425	2.594	20	30		CFEDRM
CC(C)OCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814936709	632173772	/nfs/dbraw/zinc/17/37/72/632173772.db2.gz	GOLINGYGFVBMTG-RYUDHWBXSA-N	-1	0	285.384	2.941	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C	ZINC000814937345	632174339	/nfs/dbraw/zinc/17/43/39/632174339.db2.gz	CMVHZAWAIOTZRD-SCVCMEIPSA-N	-1	0	254.374	2.887	20	30		CFEDRM
C[C@H]1CC(=NNCC(=O)[O-])C[C@H](c2ccccc2)C1	ZINC000814958703	632180098	/nfs/dbraw/zinc/18/00/98/632180098.db2.gz	LTSNCBMYVDWDCQ-DGCLKSJQSA-N	-1	0	260.337	2.620	20	30		CFEDRM
CCC(Cc1ccc(Cl)cc1Cl)=NNCC(=O)[O-]	ZINC000814960615	632180773	/nfs/dbraw/zinc/18/07/73/632180773.db2.gz	QVXIUSIROHLPRE-UHFFFAOYSA-N	-1	0	289.162	2.976	20	30		CFEDRM
C=C(C)CON=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000844618815	632264152	/nfs/dbraw/zinc/26/41/52/632264152.db2.gz	JBJUPVRICIFXTQ-UHFFFAOYSA-N	-1	0	250.254	2.617	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)[N-]c1n[nH]cc1C#N	ZINC000844825418	632317985	/nfs/dbraw/zinc/31/79/85/632317985.db2.gz	KRFAWJMDMZCPCJ-UHFFFAOYSA-N	-1	0	298.412	2.774	20	30		CFEDRM
N#CC(C(=O)C1CC1)=C([O-])c1sccc1Br	ZINC000845847802	632579629	/nfs/dbraw/zinc/57/96/29/632579629.db2.gz	YXRWXQUIWYXWNK-SSDOTTSWSA-N	-1	0	298.161	2.812	20	30		CFEDRM
CC[C@@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000846159852	632649688	/nfs/dbraw/zinc/64/96/88/632649688.db2.gz	KJGFZGOJILZKBJ-ZETCQYMHSA-N	-1	0	287.146	2.865	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000817617798	632676340	/nfs/dbraw/zinc/67/63/40/632676340.db2.gz	FRNKRAIALDLAFU-UHFFFAOYSA-N	-1	0	266.728	2.667	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(F)cc1	ZINC000846538502	632727666	/nfs/dbraw/zinc/72/76/66/632727666.db2.gz	IQTJIADXRNTKLB-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccccc1Cl	ZINC000846538461	632727711	/nfs/dbraw/zinc/72/77/11/632727711.db2.gz	RFNBZGGDJUSJQS-SNVBAGLBSA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000846540106	632728279	/nfs/dbraw/zinc/72/82/79/632728279.db2.gz	NAONLRKYEOTYLF-LLVKDONJSA-N	-1	0	281.739	2.515	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1	ZINC000846539755	632728715	/nfs/dbraw/zinc/72/87/15/632728715.db2.gz	DUYHLLUCTYFJAG-JTQLQIEISA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(/C=C/C)cc1OC	ZINC000846542045	632730392	/nfs/dbraw/zinc/73/03/92/632730392.db2.gz	SKSVELXTJPJXCC-PZBABLGHSA-N	-1	0	291.347	2.729	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(-c2ccccc2)oc1C	ZINC000846542581	632730681	/nfs/dbraw/zinc/73/06/81/632730681.db2.gz	AKISTNXVPNCKNR-LLVKDONJSA-N	-1	0	286.331	2.815	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccccc1C(C)C	ZINC000846542017	632730740	/nfs/dbraw/zinc/73/07/40/632730740.db2.gz	RUMSLMHBYOAWJX-GFCCVEGCSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1c(F)cccc1F	ZINC000846546945	632735357	/nfs/dbraw/zinc/73/53/57/632735357.db2.gz	HEBUHFIFDRQALN-IUCAKERBSA-N	-1	0	255.264	2.691	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@]1(C)CCCc2ccccc21	ZINC000846548777	632737185	/nfs/dbraw/zinc/73/71/85/632737185.db2.gz	HDAOQLRSLWJDOH-LRDDRELGSA-N	-1	0	259.349	2.903	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@H]1CCCC[C@@H]1CC	ZINC000846549059	632737443	/nfs/dbraw/zinc/73/74/43/632737443.db2.gz	MSIRVVGIODHHGX-AVGNSLFASA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(Cl)cc(Cl)c1	ZINC000846549592	632737730	/nfs/dbraw/zinc/73/77/30/632737730.db2.gz	ZMKLNAWFADJWOG-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccc(OC)cc2)CCC1	ZINC000846551385	632739524	/nfs/dbraw/zinc/73/95/24/632739524.db2.gz	SHAZSNXORLZDQY-GFCCVEGCSA-N	-1	0	275.348	2.739	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)[C@H]1OCCc2sccc21	ZINC000846552443	632739709	/nfs/dbraw/zinc/73/97/09/632739709.db2.gz	HSPBQZWPHKNMAF-OPQQBVKSSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](OC(C)C)c1ccccc1	ZINC000846553138	632740674	/nfs/dbraw/zinc/74/06/74/632740674.db2.gz	YFVLNISRAPQIFQ-TZMCWYRMSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(C(F)(F)F)CCCC1	ZINC000846555798	632741820	/nfs/dbraw/zinc/74/18/20/632741820.db2.gz	ZINIZYXNEGSSPH-QMMMGPOBSA-N	-1	0	251.248	2.731	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(CC)(CC)C(=O)OC(C)(C)C	ZINC000846555300	632742090	/nfs/dbraw/zinc/74/20/90/632742090.db2.gz	OLMZEIYKPKCCHM-LLVKDONJSA-N	-1	0	285.384	2.757	20	30		CFEDRM
CCCCCCCC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-]	ZINC000846710531	632778900	/nfs/dbraw/zinc/77/89/00/632778900.db2.gz	DGYYRDRGYJTZEP-RYUDHWBXSA-N	-1	0	255.358	2.811	20	30		CFEDRM
C=C(C)CONC(=O)Cc1c(C)nc([C@H](C)CC)nc1C	ZINC000848246458	633223698	/nfs/dbraw/zinc/22/36/98/633223698.db2.gz	ZQGXLLZPAPTZOH-LLVKDONJSA-N	-1	0	291.395	2.773	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000848280390	633230117	/nfs/dbraw/zinc/23/01/17/633230117.db2.gz	FRYVYDCIQNLDOR-SNVBAGLBSA-N	-1	0	263.724	2.531	20	30		CFEDRM
CC[C@H]1C[C@H](CN=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848413639	633252358	/nfs/dbraw/zinc/25/23/58/633252358.db2.gz	BAFFGNIOMXVQJB-HIFRSBDPSA-N	-1	0	290.363	2.917	20	30		CFEDRM
C[C@@H]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CS1	ZINC000848413461	633252381	/nfs/dbraw/zinc/25/23/81/633252381.db2.gz	FKFANPFCSYUEPR-SNVBAGLBSA-N	-1	0	278.377	2.997	20	30		CFEDRM
CO[C@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848413994	633252577	/nfs/dbraw/zinc/25/25/77/633252577.db2.gz	HCDJAHJABWHYGY-AWEZNQCLSA-N	-1	0	276.336	2.671	20	30		CFEDRM
CC(C[C@@H]1CCOC1)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415490	633253258	/nfs/dbraw/zinc/25/32/58/633253258.db2.gz	MQTXBLVKLKTJCJ-ZDUSSCGKSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C1(C)C	ZINC000848416002	633253767	/nfs/dbraw/zinc/25/37/67/633253767.db2.gz	VMSGNPRUQURKTM-CQSZACIVSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@@H](C(=O)[O-])C(C)C	ZINC000848638196	633305146	/nfs/dbraw/zinc/30/51/46/633305146.db2.gz	QJKPANOSVYSGGC-CYBMUJFWSA-N	-1	0	274.320	2.530	20	30		CFEDRM
CC(C)(F)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849171848	633578694	/nfs/dbraw/zinc/57/86/94/633578694.db2.gz	HJWYRXQMHZLUES-RIYZIHGNSA-N	-1	0	254.261	2.858	20	30		CFEDRM
C[C@]1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172389	633579466	/nfs/dbraw/zinc/57/94/66/633579466.db2.gz	RLEOHYZEAZPKCP-BQFQGIAJSA-N	-1	0	270.235	2.765	20	30		CFEDRM
C=CCCNC(=O)N[C@@](C)(CCCCCC)C(=O)[O-]	ZINC000849237862	633588023	/nfs/dbraw/zinc/58/80/23/633588023.db2.gz	JJKLREGYAUNPMW-AWEZNQCLSA-N	-1	0	270.373	2.675	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)CC1	ZINC000851032375	634187297	/nfs/dbraw/zinc/18/72/97/634187297.db2.gz	QDFKXWFIVIVXLL-GFCCVEGCSA-N	-1	0	297.420	2.512	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])cc1)C1CCCC1	ZINC000853252840	634952338	/nfs/dbraw/zinc/95/23/38/634952338.db2.gz	VAQIKAWQARMRAD-AWEZNQCLSA-N	-1	0	276.336	2.988	20	30		CFEDRM
COC1(C(C)N=Nc2ccccc2C(=O)[O-])CCC1	ZINC000853280856	634958386	/nfs/dbraw/zinc/95/83/86/634958386.db2.gz	RCBMJJOWCKLTPM-UHFFFAOYSA-N	-1	0	262.309	2.742	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1COC2(CCC2)C1	ZINC000853325814	634969404	/nfs/dbraw/zinc/96/94/04/634969404.db2.gz	PNRQAISJQJMDLZ-UHFFFAOYSA-N	-1	0	290.319	2.504	20	30		CFEDRM
O=C([O-])c1ccc(C=NOC2CCCC2)cc1F	ZINC000853328012	634969884	/nfs/dbraw/zinc/96/98/84/634969884.db2.gz	JUFZTPANHJYPGM-UHFFFAOYSA-N	-1	0	251.257	2.817	20	30		CFEDRM
CC[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2C)CO1	ZINC000853370834	634985249	/nfs/dbraw/zinc/98/52/49/634985249.db2.gz	YCRKEDRELBNBSK-NSHDSACASA-N	-1	0	262.309	2.660	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000853378642	634986531	/nfs/dbraw/zinc/98/65/31/634986531.db2.gz	IPUVRPALLMLDOD-JTQLQIEISA-N	-1	0	263.297	2.509	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cc(F)c([O-])c(F)c1	ZINC000853381075	634988147	/nfs/dbraw/zinc/98/81/47/634988147.db2.gz	ZQLRJSMQCHZDGG-VIFPVBQESA-N	-1	0	254.280	2.879	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cc(F)c([O-])c(F)c1	ZINC000853381074	634988375	/nfs/dbraw/zinc/98/83/75/634988375.db2.gz	ZQLRJSMQCHZDGG-SECBINFHSA-N	-1	0	254.280	2.879	20	30		CFEDRM
C[C@@H](CC#N)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000854474778	635312220	/nfs/dbraw/zinc/31/22/20/635312220.db2.gz	NWNLAOWHZVAPIG-ZETCQYMHSA-N	-1	0	287.146	2.865	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC)o1	ZINC000112483707	635359911	/nfs/dbraw/zinc/35/99/11/635359911.db2.gz	IPPFWRISYNIJGJ-SNVBAGLBSA-N	-1	0	294.376	2.630	20	30		CFEDRM
C=CCO[N-]C(=O)C1(C(F)(F)F)CCCCC1	ZINC000854852258	635409799	/nfs/dbraw/zinc/40/97/99/635409799.db2.gz	KTBAKPOXIHGWFI-UHFFFAOYSA-N	-1	0	251.248	2.733	20	30		CFEDRM
N#CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000855254036	635494568	/nfs/dbraw/zinc/49/45/68/635494568.db2.gz	CRPJENWJTBNYLV-JTQLQIEISA-N	-1	0	278.739	2.811	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccccc1C(C)C	ZINC000856028913	635704671	/nfs/dbraw/zinc/70/46/71/635704671.db2.gz	RIZSETCEPFWVEK-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccc(F)c(F)c1	ZINC000856029628	635705350	/nfs/dbraw/zinc/70/53/50/635705350.db2.gz	WYHSMZPGEIILCH-UHFFFAOYSA-N	-1	0	273.304	2.681	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1csc(C(C)(C)C)n1	ZINC000856031456	635706709	/nfs/dbraw/zinc/70/67/09/635706709.db2.gz	PUPDVSCYPRGTST-UHFFFAOYSA-N	-1	0	268.382	2.607	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1	ZINC000856032849	635707550	/nfs/dbraw/zinc/70/75/50/635707550.db2.gz	TUFPOGMPWGYDMD-RDBSUJKOSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)Oc1cccc(C)c1	ZINC000856032613	635707852	/nfs/dbraw/zinc/70/78/52/635707852.db2.gz	NWPSIHRUROORRJ-AWEZNQCLSA-N	-1	0	263.337	2.776	20	30		CFEDRM
CC[C@@H](C#N)Oc1cccc(C[N-]C(=O)C(F)(F)F)c1	ZINC000113919508	635722193	/nfs/dbraw/zinc/72/21/93/635722193.db2.gz	MSXGWKDSHFSKFR-JTQLQIEISA-N	-1	0	286.253	2.546	20	30		CFEDRM
CCCCCCCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000116582416	636477902	/nfs/dbraw/zinc/47/79/02/636477902.db2.gz	CVCCQNMJWHENKO-NEPJUHHUSA-N	-1	0	255.358	2.716	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000048455739	650267809	/nfs/dbraw/zinc/26/78/09/650267809.db2.gz	JAWPRJIMIHXLBZ-CMDGGOBGSA-N	-1	0	283.324	2.827	20	30		CFEDRM
CCCCCCOc1ccc(C(=O)[N-]S(C)(=O)=O)cc1	ZINC000048479152	650268226	/nfs/dbraw/zinc/26/82/26/650268226.db2.gz	DOYGALCGWDMODT-UHFFFAOYSA-N	-1	0	299.392	2.910	20	30		CFEDRM
CCOCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518380	650269995	/nfs/dbraw/zinc/26/99/95/650269995.db2.gz	ZCIPOSCBZTUFKT-ZRDIBKRKSA-N	-1	0	297.376	2.760	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCCOC2)c1[O-]	ZINC000048627860	650273654	/nfs/dbraw/zinc/27/36/54/650273654.db2.gz	QJZISEUUOCIQAU-NEFPKRPYSA-N	-1	0	298.726	2.799	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000862396942	637356201	/nfs/dbraw/zinc/35/62/01/637356201.db2.gz	FNHHPKUHTWOYCY-UHFFFAOYSA-N	-1	0	285.347	2.668	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000862572652	637438607	/nfs/dbraw/zinc/43/86/07/637438607.db2.gz	MEEXPQIHMNPHGZ-SECBINFHSA-N	-1	0	281.714	2.670	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000119199455	637522870	/nfs/dbraw/zinc/52/28/70/637522870.db2.gz	FHFOUNCMRDWCDQ-UHFFFAOYSA-N	-1	0	277.283	2.696	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@H]1CCCCO1	ZINC000863063172	637546361	/nfs/dbraw/zinc/54/63/61/637546361.db2.gz	PBRYOACFXOXELQ-CYBMUJFWSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1cc(C)ccc1C	ZINC000863068106	637548158	/nfs/dbraw/zinc/54/81/58/637548158.db2.gz	XMIFIUHEURTBAY-UHFFFAOYSA-N	-1	0	285.351	2.729	20	30		CFEDRM
Cc1cc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)ccn1	ZINC000863159442	637574520	/nfs/dbraw/zinc/57/45/20/637574520.db2.gz	RCSVDVOPCSHBPV-OCCSQVGLSA-N	-1	0	289.379	2.737	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864143180	637891601	/nfs/dbraw/zinc/89/16/01/637891601.db2.gz	DUCCXJXASAAZQR-UQSGXBNBSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CCCCCCNC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864152305	637893643	/nfs/dbraw/zinc/89/36/43/637893643.db2.gz	CQIPCYQCYMOMIY-NTMALXAHSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1	ZINC000864157375	637895577	/nfs/dbraw/zinc/89/55/77/637895577.db2.gz	YDNHLNXUSMJGGJ-DGMVEKRQSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864178657	637904765	/nfs/dbraw/zinc/90/47/65/637904765.db2.gz	IINBJVMXOGTMDU-ZHRWSRJISA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000864184243	637907558	/nfs/dbraw/zinc/90/75/58/637907558.db2.gz	PLJDYYYAQNWXBJ-BXKDBHETSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000864185008	637907607	/nfs/dbraw/zinc/90/76/07/637907607.db2.gz	UXTAZBNXDJRREW-BJPMOSCESA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000864185057	637907703	/nfs/dbraw/zinc/90/77/03/637907703.db2.gz	SFTQUKZFCYDDJY-MFKMUULPSA-N	-1	0	295.766	2.577	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCc1ccccc1C)C(=O)[O-]	ZINC000864185680	637907843	/nfs/dbraw/zinc/90/78/43/637907843.db2.gz	ZFQPQTINVCYROO-ZDUSSCGKSA-N	-1	0	295.766	2.640	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000864186804	637908100	/nfs/dbraw/zinc/90/81/00/637908100.db2.gz	XYDAZZRZRPHPIC-XQHKEYJVSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000864186498	637908315	/nfs/dbraw/zinc/90/83/15/637908315.db2.gz	QVHSMCXGOPITNZ-WXRRBKDZSA-N	-1	0	299.798	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000864186851	637908339	/nfs/dbraw/zinc/90/83/39/637908339.db2.gz	YREDZECOKJBQSI-QWRGUYRKSA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-]	ZINC000864187240	637908384	/nfs/dbraw/zinc/90/83/84/637908384.db2.gz	HGFCVUYHYNJCTD-UQSGXBNBSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000864187076	637908391	/nfs/dbraw/zinc/90/83/91/637908391.db2.gz	CZWLQXNUDWYEPC-MMQHEFTJSA-N	-1	0	265.353	2.659	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@H]2CCCOC2)c1	ZINC000864344530	637945622	/nfs/dbraw/zinc/94/56/22/637945622.db2.gz	AMUWAYKIXYWZLY-PDICVPPASA-N	-1	0	278.308	2.536	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864519309	638009741	/nfs/dbraw/zinc/00/97/41/638009741.db2.gz	KYLGEOJQFJHEQC-ZYHUDNBSSA-N	-1	0	296.754	2.643	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NC[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864520178	638010409	/nfs/dbraw/zinc/01/04/09/638010409.db2.gz	MNQQTMKOSCICBB-GXTWGEPZSA-N	-1	0	290.363	2.509	20	30		CFEDRM
C=C(C)C[C@@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000864529758	638013558	/nfs/dbraw/zinc/01/35/58/638013558.db2.gz	LWEWJCPIZNLIAD-SNVBAGLBSA-N	-1	0	268.382	2.776	20	30		CFEDRM
C=CCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCC1	ZINC000189803831	650397037	/nfs/dbraw/zinc/39/70/37/650397037.db2.gz	QZTGSSKZHKRNKC-UHFFFAOYSA-N	-1	0	256.305	2.949	20	30		CFEDRM
O=C(CCC(F)(F)F)[N-]S(=O)(=O)c1ccccc1	ZINC000076755656	650401223	/nfs/dbraw/zinc/40/12/23/650401223.db2.gz	AIPHRJPWGPYHRS-UHFFFAOYSA-N	-1	0	281.255	2.674	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1	ZINC000076761915	650401807	/nfs/dbraw/zinc/40/18/07/650401807.db2.gz	ZYOVKMVCKSGVJX-MNOVXSKESA-N	-1	0	261.387	2.899	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1ccccc1[O-])CCCC2	ZINC000865219991	638226983	/nfs/dbraw/zinc/22/69/83/638226983.db2.gz	BEFNVEPPZWLRTE-ZHACJKMWSA-N	-1	0	282.343	2.901	20	30		CFEDRM
CCC(F)(F)CN[C@@H](C)c1cccc(C#N)c1[O-]	ZINC000866400243	638815446	/nfs/dbraw/zinc/81/54/46/638815446.db2.gz	WMTWLRLBYWVVKR-VIFPVBQESA-N	-1	0	254.280	2.960	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077880241	650458876	/nfs/dbraw/zinc/45/88/76/650458876.db2.gz	JIKMQPFMIYLROI-VHSXEESVSA-N	-1	0	287.406	2.785	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077879467	650458889	/nfs/dbraw/zinc/45/88/89/650458889.db2.gz	PLXDKIPHBUJNEU-WCQYABFASA-N	-1	0	299.392	2.849	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C	ZINC000190801106	650459765	/nfs/dbraw/zinc/45/97/65/650459765.db2.gz	ANWMNJVAIPVZPU-UHFFFAOYSA-N	-1	0	295.404	2.606	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1CC=CC1	ZINC000077940422	650464620	/nfs/dbraw/zinc/46/46/20/650464620.db2.gz	YOIOFOMKRYUMTR-ZHACJKMWSA-N	-1	0	277.345	2.910	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)C1CC=CC1	ZINC000077940478	650464968	/nfs/dbraw/zinc/46/49/68/650464968.db2.gz	RWWMFNFSORUYSQ-UHFFFAOYSA-N	-1	0	283.324	2.578	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)OCc1cccc(C)c1	ZINC000869152402	639048189	/nfs/dbraw/zinc/04/81/89/639048189.db2.gz	AWCWRYVXGXWHKB-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2nccc3ccccc32)CC1	ZINC000869282973	639131601	/nfs/dbraw/zinc/13/16/01/639131601.db2.gz	WSRAGROJDUKXST-UHFFFAOYSA-N	-1	0	282.343	2.890	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1Cc2ccc(Cl)cc21	ZINC000869282333	639132106	/nfs/dbraw/zinc/13/21/06/639132106.db2.gz	HUPSZIBDWSGHOT-LBPRGKRZSA-N	-1	0	251.713	2.604	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](c1ccccc1)C(C)C	ZINC000191260332	650485543	/nfs/dbraw/zinc/48/55/43/650485543.db2.gz	SUDLVTUCXZIRNH-OAHLLOKOSA-N	-1	0	289.375	2.916	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCc1ccc(C)cc1	ZINC000191266843	650486723	/nfs/dbraw/zinc/48/67/23/650486723.db2.gz	YNQRECDVUKQJIH-UHFFFAOYSA-N	-1	0	289.375	2.807	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000122827677	639450609	/nfs/dbraw/zinc/45/06/09/639450609.db2.gz	KKLKAYQOSRCFFA-CQSZACIVSA-N	-1	0	295.342	2.578	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000078701345	650525145	/nfs/dbraw/zinc/52/51/45/650525145.db2.gz	RWBFGHFUDGQYLH-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C2(F)CCCCC2)c1	ZINC000870690618	639773477	/nfs/dbraw/zinc/77/34/77/639773477.db2.gz	RTPMFPJTIZXQDL-UHFFFAOYSA-N	-1	0	262.284	2.641	20	30		CFEDRM
CC(C)CCSCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692659	639774584	/nfs/dbraw/zinc/77/45/84/639774584.db2.gz	JTYDPMNVTXUIMO-UHFFFAOYSA-N	-1	0	278.377	2.748	20	30		CFEDRM
CC[C@H](OC1CCCC1)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870693209	639775263	/nfs/dbraw/zinc/77/52/63/639775263.db2.gz	YVGZVGVUBAPEPF-HNNXBMFYSA-N	-1	0	288.347	2.706	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000078701334	650524795	/nfs/dbraw/zinc/52/47/95/650524795.db2.gz	MWAMQHBIQGKWEM-UHFFFAOYSA-N	-1	0	281.333	2.501	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/COc3ccccc3C2=O)ccc1O	ZINC000208417648	639803604	/nfs/dbraw/zinc/80/36/04/639803604.db2.gz	GJDXUAOZEIMSEJ-XFFZJAGNSA-N	-1	0	296.278	2.749	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)CC1	ZINC000870831750	641091451	/nfs/dbraw/zinc/09/14/51/641091451.db2.gz	DIFOWNLCLMBROH-NSHDSACASA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)[N-]OCCCC(F)(F)F	ZINC000871215180	641251226	/nfs/dbraw/zinc/25/12/26/641251226.db2.gz	RIWBNCMPEXVWJA-SNVBAGLBSA-N	-1	0	253.264	2.979	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000193372491	650647598	/nfs/dbraw/zinc/64/75/98/650647598.db2.gz	ZASBMFWPPVUHAI-SECBINFHSA-N	-1	0	282.727	2.562	20	30		CFEDRM
CCOC(=O)C1(C)CC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000872323925	641756106	/nfs/dbraw/zinc/75/61/06/641756106.db2.gz	FBSSZXDYUCPOQP-UHFFFAOYSA-N	-1	0	290.319	2.516	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCOC1	ZINC000872325613	641756660	/nfs/dbraw/zinc/75/66/60/641756660.db2.gz	ZBSHZVOSSOXJBC-GFCCVEGCSA-N	-1	0	276.336	2.989	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1ccc(F)c(F)c1[O-]	ZINC000872388589	641787202	/nfs/dbraw/zinc/78/72/02/641787202.db2.gz	KSNMBNLTRGOICK-SECBINFHSA-N	-1	0	254.280	2.879	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000872752914	641921795	/nfs/dbraw/zinc/92/17/95/641921795.db2.gz	QFOIWULOHPFKMZ-CHWSQXEVSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000872752759	641921817	/nfs/dbraw/zinc/92/18/17/641921817.db2.gz	PEEGIDAIWCOIQL-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C#CCOc1cccc(NC(=O)[C@](C)(CC)CC(=O)[O-])c1	ZINC000872844067	641949506	/nfs/dbraw/zinc/94/95/06/641949506.db2.gz	RYTXIBJRZANTGA-MRXNPFEDSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000872852159	641951747	/nfs/dbraw/zinc/95/17/47/641951747.db2.gz	KRWNJKYYXUZNBL-PBHICJAKSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872981130	641976039	/nfs/dbraw/zinc/97/60/39/641976039.db2.gz	RBKWAEFMVZAPBD-VXGBXAGGSA-N	-1	0	299.436	2.834	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nnc(C)s1	ZINC000194795457	650729292	/nfs/dbraw/zinc/72/92/92/650729292.db2.gz	IAICSOQDVMFGQR-UHFFFAOYSA-N	-1	0	277.415	2.559	20	30		CFEDRM
C=CCCCCCNC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874405954	642379699	/nfs/dbraw/zinc/37/96/99/642379699.db2.gz	VXRABIRZHQDNQG-UHFFFAOYSA-N	-1	0	290.363	2.930	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000874420705	642381730	/nfs/dbraw/zinc/38/17/30/642381730.db2.gz	RCPKDEISYGXSDJ-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
CCn1nnc(C)c1/C=C/C(=O)c1cc(C(=O)[O-])ccc1C	ZINC000876497858	642893784	/nfs/dbraw/zinc/89/37/84/642893784.db2.gz	GTRILZSLRGLYCG-BQYQJAHWSA-N	-1	0	299.330	2.509	20	30		CFEDRM
Cc1ccc(CC(=O)[N-]S(=O)(=O)C2CCCC2)s1	ZINC000086055263	650794466	/nfs/dbraw/zinc/79/44/66/650794466.db2.gz	VIYOYXQNUAZIBX-UHFFFAOYSA-N	-1	0	287.406	2.828	20	30		CFEDRM
O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054848	650794479	/nfs/dbraw/zinc/79/44/79/650794479.db2.gz	XTNKTGFFBYHJIY-NSHDSACASA-N	-1	0	289.397	2.565	20	30		CFEDRM
CSc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086056377	650795961	/nfs/dbraw/zinc/79/59/61/650795961.db2.gz	NZXNMCGZYVSRSN-UHFFFAOYSA-N	-1	0	299.417	2.986	20	30		CFEDRM
Cc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000126009289	642917420	/nfs/dbraw/zinc/91/74/20/642917420.db2.gz	NWEHLHAOGFJURM-CYBMUJFWSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CC1(C)CO[C@H](CCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000879066620	644131238	/nfs/dbraw/zinc/13/12/38/644131238.db2.gz	PZHRKXLXIKOKFS-GFCCVEGCSA-N	-1	0	288.347	2.798	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CCCC=C)c1ccccc1	ZINC000880079317	644524755	/nfs/dbraw/zinc/52/47/55/644524755.db2.gz	NRCVEKYHLUSZKK-HNNXBMFYSA-N	-1	0	257.333	2.808	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc1C	ZINC000128717455	644875367	/nfs/dbraw/zinc/87/53/67/644875367.db2.gz	PRPFKSPJNVJVNG-ZDUSSCGKSA-N	-1	0	288.347	2.668	20	30		CFEDRM
O=C([N-]CC(F)(F)c1cc(F)cc(F)c1)C(F)(F)F	ZINC000881836227	645138099	/nfs/dbraw/zinc/13/80/99/645138099.db2.gz	UEUANSIKROONKD-UHFFFAOYSA-N	-1	0	289.150	2.735	20	30		CFEDRM
CC(C)Oc1cncc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000129875525	645421227	/nfs/dbraw/zinc/42/12/27/645421227.db2.gz	XYIAHRQPEOIBSL-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])ccc1C1CC1	ZINC000887315916	647267721	/nfs/dbraw/zinc/26/77/21/647267721.db2.gz	FLMWLWZBNQNBMV-GJZGRUSLSA-N	-1	0	298.342	2.875	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000887315752	647267821	/nfs/dbraw/zinc/26/78/21/647267821.db2.gz	ANNYDZONUCWWGC-JTQLQIEISA-N	-1	0	286.331	2.875	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000887325010	647271423	/nfs/dbraw/zinc/27/14/23/647271423.db2.gz	CBENUGOEWQKGJS-UHFFFAOYSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000887325394	647271465	/nfs/dbraw/zinc/27/14/65/647271465.db2.gz	OFLRSALMGBYOHH-UHFFFAOYSA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000887325586	647272250	/nfs/dbraw/zinc/27/22/50/647272250.db2.gz	UPMUZQQMQHRUTR-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000887326650	647272427	/nfs/dbraw/zinc/27/24/27/647272427.db2.gz	IXMTUSFQKDXHCN-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#Cc1cc(F)c(N2CCCC[C@H]2CC(=O)[O-])c(F)c1	ZINC000126926831	647857637	/nfs/dbraw/zinc/85/76/37/647857637.db2.gz	CQGVEQJZOOTMHQ-JTQLQIEISA-N	-1	0	280.274	2.670	20	30		CFEDRM
N#C[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000928218660	648875708	/nfs/dbraw/zinc/87/57/08/648875708.db2.gz	IQLGWTKALVCIGZ-QMMMGPOBSA-N	-1	0	282.702	2.560	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2F)cc1C#N	ZINC001243511816	782246851	/nfs/dbraw/zinc/24/68/51/782246851.db2.gz	JVMBUCNDEHIEOT-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(Cl)c([O-])c3)ncc12	ZINC001243579758	782289070	/nfs/dbraw/zinc/28/90/70/782289070.db2.gz	ZARPFRLIDFRQKO-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229241511	776762240	/nfs/dbraw/zinc/76/22/40/776762240.db2.gz	IGNKKMVTVAYYBL-JTQLQIEISA-N	-1	0	272.304	2.854	20	30		CFEDRM
N#Cc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)ccc1C(F)(F)F	ZINC000692998257	770043494	/nfs/dbraw/zinc/04/34/94/770043494.db2.gz	XDEQTVVHHCURNW-GVJMRKKJSA-N	-1	0	284.237	2.852	20	30		CFEDRM
N#Cc1ccc(F)cc1Nc1ccc(C(=O)[O-])nc1	ZINC001210178167	770221795	/nfs/dbraw/zinc/22/17/95/770221795.db2.gz	SJSIHXORNGPHGU-UHFFFAOYSA-N	-1	0	257.224	2.534	20	30		CFEDRM
Cc1noc([N-]c2ccc(F)cc2[N+](=O)[O-])c1C#N	ZINC001210950655	770403586	/nfs/dbraw/zinc/40/35/86/770403586.db2.gz	ZLEBKJVITGUGKC-UHFFFAOYSA-N	-1	0	262.200	2.646	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1csc(C(=O)[O-])c1	ZINC000382245929	770536614	/nfs/dbraw/zinc/53/66/14/770536614.db2.gz	SYLPNJIYZKZKCN-UCUMMZLBSA-N	-1	0	259.714	2.939	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\CCCn1ccnn1	ZINC000588425166	770623006	/nfs/dbraw/zinc/62/30/06/770623006.db2.gz	UVKHNYXIOVFNCW-NVNXTCNLSA-N	-1	0	299.161	2.800	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000588476354	770794783	/nfs/dbraw/zinc/79/47/83/770794783.db2.gz	KPLKHWKUSRMESH-DAXSKMNVSA-N	-1	0	267.284	2.984	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1	ZINC000724456200	770888261	/nfs/dbraw/zinc/88/82/61/770888261.db2.gz	KAZUUWCSIXEAHJ-UONOGXRCSA-N	-1	0	279.380	2.740	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000588535206	770950884	/nfs/dbraw/zinc/95/08/84/770950884.db2.gz	VLPZAUQURJYLDH-PLNGDYQASA-N	-1	0	280.686	2.814	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000125560130	773249805	/nfs/dbraw/zinc/24/98/05/773249805.db2.gz	CHLRJOVKWPOVAG-CQSZACIVSA-N	-1	0	290.338	2.845	20	30		CFEDRM
C=C(C)C(=O)NCCCNc1cc(F)ccc1[S-]	ZINC001167670830	775149873	/nfs/dbraw/zinc/14/98/73/775149873.db2.gz	IUQKSZWZAYRLDE-UHFFFAOYSA-N	-1	0	268.357	2.609	20	30		CFEDRM
C=CCOc1ccccc1[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224603400	775224893	/nfs/dbraw/zinc/22/48/93/775224893.db2.gz	XZEBPIMKHNPIIN-LLVKDONJSA-N	-1	0	286.264	2.507	20	30		CFEDRM
Cn1nccc1C(=O)/C=C\c1cccc(C(=O)[O-])c1Cl	ZINC000588594796	775246438	/nfs/dbraw/zinc/24/64/38/775246438.db2.gz	ASQBXRUSTKJGGN-WAYWQWQTSA-N	-1	0	290.706	2.668	20	30		CFEDRM
CCCCOC[C@H](C)Oc1[nH]c(C)cc(=O)c1C#N	ZINC001225470122	775468333	/nfs/dbraw/zinc/46/83/33/775468333.db2.gz	RDEVCIFCGXUIFC-NSHDSACASA-N	-1	0	264.325	2.551	20	30		CFEDRM
C=C[C@H](CCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517938	775489433	/nfs/dbraw/zinc/48/94/33/775489433.db2.gz	OUOYBGACWOMUCO-SNVBAGLBSA-N	-1	0	256.323	2.667	20	30		CFEDRM
CCC1=C(Oc2ccccc2[S-])C(=O)[C@H](C)O1	ZINC001225585508	775512002	/nfs/dbraw/zinc/51/20/02/775512002.db2.gz	XYLVXMKBZWTEQN-QMMMGPOBSA-N	-1	0	250.319	2.964	20	30		CFEDRM
C[C@@H](CS)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886206	775624097	/nfs/dbraw/zinc/62/40/97/775624097.db2.gz	UKSAVMYVJMOGCL-VKHMYHEASA-N	-1	0	256.220	2.646	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C1CCCC1	ZINC001226008999	775666487	/nfs/dbraw/zinc/66/64/87/775666487.db2.gz	PNGNDQQWBASYFN-MRVPVSSYSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cnc2ccccn21	ZINC001226013295	775668992	/nfs/dbraw/zinc/66/89/92/775668992.db2.gz	LGLUMXQPKLRIMY-VIFPVBQESA-N	-1	0	298.277	2.586	20	30		CFEDRM
Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)cc(C)c2C#N)c1	ZINC001226222437	775741381	/nfs/dbraw/zinc/74/13/81/775741381.db2.gz	BBLWVRPHSIILFK-JTQLQIEISA-N	-1	0	287.294	2.950	20	30		CFEDRM
COC(C)(C)C[C@@H](C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226223067	775742492	/nfs/dbraw/zinc/74/24/92/775742492.db2.gz	KHRMZJMDIVMOGQ-SNVBAGLBSA-N	-1	0	264.325	2.550	20	30		CFEDRM
C#C[C@@H](Oc1[nH]c(=O)ncc1C(C)=O)[C@@H](CC)CCCC	ZINC001226237804	775746940	/nfs/dbraw/zinc/74/69/40/775746940.db2.gz	NMDQKJXRECQZFI-GXTWGEPZSA-N	-1	0	290.363	2.982	20	30		CFEDRM
C[C@@H](Oc1nccc(/C=N/O)n1)c1ccc(F)cc1	ZINC001226253828	775756638	/nfs/dbraw/zinc/75/66/38/775756638.db2.gz	MKLHMHZMERMDTA-PTPOTIKZSA-N	-1	0	261.256	2.564	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226335604	775784270	/nfs/dbraw/zinc/78/42/70/775784270.db2.gz	JLVOQQIIUHUHGF-JBLDHEPKSA-N	-1	0	293.323	2.850	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226410556	775810238	/nfs/dbraw/zinc/81/02/38/775810238.db2.gz	SLMZCRWFGDBWGG-GFCCVEGCSA-N	-1	0	298.360	2.600	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226414660	775810834	/nfs/dbraw/zinc/81/08/34/775810834.db2.gz	CDJDEMQDHFBFPZ-NSHDSACASA-N	-1	0	286.349	2.763	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556901	775873205	/nfs/dbraw/zinc/87/32/05/775873205.db2.gz	TVKJYDBVOZGTLI-SSDOTTSWSA-N	-1	0	265.700	2.727	20	30		CFEDRM
C[C@@H](Oc1nc2ncnc-2c(S)[n-]1)c1ccccc1C#N	ZINC001226786949	775964780	/nfs/dbraw/zinc/96/47/80/775964780.db2.gz	ULQQXWXALKFZFX-MRVPVSSYSA-N	-1	0	297.343	2.653	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[n-]c(=O)nc2cnccc21	ZINC001226974209	776041974	/nfs/dbraw/zinc/04/19/74/776041974.db2.gz	LLZBNTRKDZSENS-LLVKDONJSA-N	-1	0	273.336	2.832	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227096277	776094391	/nfs/dbraw/zinc/09/43/91/776094391.db2.gz	NSBLNWBQJJKBRH-JTQLQIEISA-N	-1	0	287.275	2.753	20	30		CFEDRM
C[C@H](Oc1nc2cc(C#N)ccc2[nH]1)C1=CC=C[CH]1	ZINC001227215469	776140667	/nfs/dbraw/zinc/14/06/67/776140667.db2.gz	CNPKFCOIFVBNPS-JTQLQIEISA-N	-1	0	250.281	2.902	20	30		CFEDRM
Cc1cc(NC(=NO)c2ccccc2N)ccc1C(=O)[O-]	ZINC001211658206	776163679	/nfs/dbraw/zinc/16/36/79/776163679.db2.gz	DZONETOHYHRWKY-UHFFFAOYSA-N	-1	0	285.303	2.523	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274994	776168015	/nfs/dbraw/zinc/16/80/15/776168015.db2.gz	RWRAPEOWMUTBPO-ZETCQYMHSA-N	-1	0	267.354	2.529	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274109	776168051	/nfs/dbraw/zinc/16/80/51/776168051.db2.gz	LNJZYEXYICVCDG-ZDUSSCGKSA-N	-1	0	293.326	2.873	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)CCCC2	ZINC000124458592	776208791	/nfs/dbraw/zinc/20/87/91/776208791.db2.gz	YGLBCCYWVAVQSN-INIZCTEOSA-N	-1	0	296.370	2.510	20	30		CFEDRM
C[C@@H](Oc1n[n-]c(=O)c(Cl)c1Cl)[C@H](C)S	ZINC001227602040	776235654	/nfs/dbraw/zinc/23/56/54/776235654.db2.gz	LBRHENXFUZZWOF-DMTCNVIQSA-N	-1	0	269.153	2.575	20	30		CFEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227611010	776242444	/nfs/dbraw/zinc/24/24/44/776242444.db2.gz	NYKQPJWUHLASED-MRVPVSSYSA-N	-1	0	265.338	2.916	20	30		CFEDRM
C=C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227810597	776297682	/nfs/dbraw/zinc/29/76/82/776297682.db2.gz	VWVBISXKSSLTAB-GFCCVEGCSA-N	-1	0	267.288	2.970	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccs1	ZINC000125576466	776359336	/nfs/dbraw/zinc/35/93/36/776359336.db2.gz	YKUBPTWLZNPFRY-LLVKDONJSA-N	-1	0	278.377	2.767	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccoc1C	ZINC000125627486	776388421	/nfs/dbraw/zinc/38/84/21/776388421.db2.gz	UBJGSEDVGHFCOW-ZDUSSCGKSA-N	-1	0	276.336	2.607	20	30		CFEDRM
O=C(c1ccccc1)c1ccc(O)cc1O[C@@H]1C=CC(=O)C1	ZINC001228186329	776417320	/nfs/dbraw/zinc/41/73/20/776417320.db2.gz	PZTVQWYPHIHFNR-OAHLLOKOSA-N	-1	0	294.306	2.900	20	30		CFEDRM
Cc1cc(N[C@H]2CC[C@H](C#N)CC2)cnc1C(=O)[O-]	ZINC001167845249	776623321	/nfs/dbraw/zinc/62/33/21/776623321.db2.gz	IPYXKNWHDBYWHO-XYPYZODXSA-N	-1	0	259.309	2.583	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1OC1CCN(c2ccccc2)CC1	ZINC001228901094	776651313	/nfs/dbraw/zinc/65/13/13/776651313.db2.gz	JHWTVQSOLOCSMT-UHFFFAOYSA-N	-1	0	295.342	2.707	20	30		CFEDRM
C=C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228903132	776652707	/nfs/dbraw/zinc/65/27/07/776652707.db2.gz	VNHRFUSZJPHALY-ZDUSSCGKSA-N	-1	0	252.273	2.965	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)O1	ZINC001228903381	776653149	/nfs/dbraw/zinc/65/31/49/776653149.db2.gz	YGELVZBUDHNXFV-BLLLJJGKSA-N	-1	0	288.347	2.940	20	30		CFEDRM
COc1ccc2c(c1)nc(=O)[n-]c2OC1CCC(C#N)CC1	ZINC001229136849	776730066	/nfs/dbraw/zinc/73/00/66/776730066.db2.gz	GQZHIYBRDLFGFB-UHFFFAOYSA-N	-1	0	299.330	2.805	20	30		CFEDRM
C=C(C)C[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])C(=C)C	ZINC001229379322	776795515	/nfs/dbraw/zinc/79/55/15/776795515.db2.gz	UQLYHPHSLYYKJC-SNVBAGLBSA-N	-1	0	279.296	2.689	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229381823	776796657	/nfs/dbraw/zinc/79/66/57/776796657.db2.gz	PFCTYGOCTBVKKD-SECBINFHSA-N	-1	0	267.285	2.522	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229381829	776797088	/nfs/dbraw/zinc/79/70/88/776797088.db2.gz	PFCTYGOCTBVKKD-VIFPVBQESA-N	-1	0	267.285	2.522	20	30		CFEDRM
N#Cc1ccnnc1OC(=C([O-])c1ccco1)c1ccco1	ZINC001229604077	776854631	/nfs/dbraw/zinc/85/46/31/776854631.db2.gz	KGDAUCANGXMSPE-AWEZNQCLSA-N	-1	0	295.254	2.537	20	30		CFEDRM
C/C(=N\O)c1ccccc1OC1CCN(CCF)CC1	ZINC001229736975	776883394	/nfs/dbraw/zinc/88/33/94/776883394.db2.gz	MWEXKCDRBCVQFN-SFQUDFHCSA-N	-1	0	280.343	2.698	20	30		CFEDRM
N#C[C@H](Oc1ccccc1-c1nn[nH]n1)c1ccccc1F	ZINC001229950476	776923315	/nfs/dbraw/zinc/92/33/15/776923315.db2.gz	LFCGVVAMWYPTGU-AWEZNQCLSA-N	-1	0	295.277	2.649	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241347	776964192	/nfs/dbraw/zinc/96/41/92/776964192.db2.gz	BKTXFEWSPWFKCA-MRVPVSSYSA-N	-1	0	257.721	2.744	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230241870	776964898	/nfs/dbraw/zinc/96/48/98/776964898.db2.gz	QWXCAFNHMURVFI-ZJUUUORDSA-N	-1	0	281.743	2.910	20	30		CFEDRM
N#Cc1cc(Nc2cc(N)ccc2F)c([O-])cc1F	ZINC001211837664	776990166	/nfs/dbraw/zinc/99/01/66/776990166.db2.gz	TXCKVBIMMGPJER-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
N#C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1cccc(F)c1	ZINC001225562931	777022466	/nfs/dbraw/zinc/02/24/66/777022466.db2.gz	OQYDHNINRBDOMO-SECBINFHSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C#C[C@@H](CC)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662997	777037017	/nfs/dbraw/zinc/03/70/17/777037017.db2.gz	BWOSMBWCOQSCIR-VIFPVBQESA-N	-1	0	268.272	2.872	20	30		CFEDRM
C#C[C@H](CC)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662995	777037060	/nfs/dbraw/zinc/03/70/60/777037060.db2.gz	BWOSMBWCOQSCIR-SECBINFHSA-N	-1	0	268.272	2.872	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882999	777081240	/nfs/dbraw/zinc/08/12/40/777081240.db2.gz	IKYFYTDRRXKDFW-RNCFNFMXSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231074090	777133156	/nfs/dbraw/zinc/13/31/56/777133156.db2.gz	KQTGBAUPXDQMGP-SKDRFNHKSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231259353	777178135	/nfs/dbraw/zinc/17/81/35/777178135.db2.gz	KIZMQRVAKVODSE-LLVKDONJSA-N	-1	0	278.308	2.965	20	30		CFEDRM
N#CCN(Cc1ccccc1)Cc1cc(C#N)ccc1[O-]	ZINC001232678673	777640602	/nfs/dbraw/zinc/64/06/02/777640602.db2.gz	MQAWPHOSPRVWGE-UHFFFAOYSA-N	-1	0	277.327	2.790	20	30		CFEDRM
C[C@H]1c2cccn2CC[N@H+]1Cc1cc(C#N)ccc1[O-]	ZINC001232678920	777640612	/nfs/dbraw/zinc/64/06/12/777640612.db2.gz	UWOUFLKVDIGYET-LBPRGKRZSA-N	-1	0	267.332	2.642	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227271138	777799645	/nfs/dbraw/zinc/79/96/45/777799645.db2.gz	QSJLWKIZFCVXBS-JTQLQIEISA-N	-1	0	259.309	2.624	20	30		CFEDRM
N#Cc1cc(NC(=O)/C=C/c2ccoc2)c([O-])cc1F	ZINC001142261386	778143155	/nfs/dbraw/zinc/14/31/55/778143155.db2.gz	CEIRFWSSOGEIAU-OWOJBTEDSA-N	-1	0	272.235	2.648	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514469	778241212	/nfs/dbraw/zinc/24/12/12/778241212.db2.gz	WFWNYQQOXNHOCB-LBPRGKRZSA-N	-1	0	281.315	2.778	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530962	778246010	/nfs/dbraw/zinc/24/60/10/778246010.db2.gz	POXMSXQNCFOJTC-GFCCVEGCSA-N	-1	0	281.315	2.634	20	30		CFEDRM
N#C[C@@H]1CC[C@@H](Oc2nc[nH]c(=O)c2-c2ccccc2)C1	ZINC001234690175	778288386	/nfs/dbraw/zinc/28/83/86/778288386.db2.gz	ZQDRWURKLZXDRH-DGCLKSJQSA-N	-1	0	281.315	2.920	20	30		CFEDRM
N#C[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1	ZINC001234997988	778348826	/nfs/dbraw/zinc/34/88/26/778348826.db2.gz	GYVZALAXVIFXGE-INIZCTEOSA-N	-1	0	294.354	2.784	20	30		CFEDRM
N#Cc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235027503	778359461	/nfs/dbraw/zinc/35/94/61/778359461.db2.gz	BASNZNIXHPOWEK-RMKNXTFCSA-N	-1	0	250.257	2.718	20	30		CFEDRM
COc1ccnc(-c2ccc(/C=C/C(=O)[O-])cc2)c1C#N	ZINC001235078802	778373284	/nfs/dbraw/zinc/37/32/84/778373284.db2.gz	SSQVUOZJLZJJBH-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#Cc1cc(-c2cccc(S(=O)(=O)[O-])c2)ccc1F	ZINC001235895092	778595944	/nfs/dbraw/zinc/59/59/44/778595944.db2.gz	BMNAMWUKFNIBSO-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])cc2)nc(C2CC2)n1	ZINC001236058019	778672215	/nfs/dbraw/zinc/67/22/15/778672215.db2.gz	HKJOHVYUFMEBMU-UHFFFAOYSA-N	-1	0	265.272	2.591	20	30		CFEDRM
COc1nc(C)c(-c2ccc(C(=O)[O-])cc2)c(C)c1C#N	ZINC001236061383	778674240	/nfs/dbraw/zinc/67/42/40/778674240.db2.gz	VWOWIHAWCCNCBZ-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])cc1	ZINC001236063023	778675839	/nfs/dbraw/zinc/67/58/39/778675839.db2.gz	CHVDWUASWVIBHV-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])cc3)cnc12	ZINC001236065873	778678325	/nfs/dbraw/zinc/67/83/25/778678325.db2.gz	ONEBCFQVHUYSGV-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
Cc1c(Cl)c(-c2cnc(CC#N)nc2)ccc1C(=O)[O-]	ZINC001236119716	778701165	/nfs/dbraw/zinc/70/11/65/778701165.db2.gz	GCSHKQGUBMFKHM-UHFFFAOYSA-N	-1	0	287.706	2.870	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237998953	779227646	/nfs/dbraw/zinc/22/76/46/779227646.db2.gz	YOVCPOIXIWHDKB-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)c([O-])cc1F	ZINC001238154021	779264651	/nfs/dbraw/zinc/26/46/51/779264651.db2.gz	IKSHDDLTJVFFQD-IUCAKERBSA-N	-1	0	272.682	2.621	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238152757	779265612	/nfs/dbraw/zinc/26/56/12/779265612.db2.gz	QQGYBDUYDHUINI-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1C#N	ZINC001239245092	779482834	/nfs/dbraw/zinc/48/28/34/779482834.db2.gz	ITKRCZYAPMFKGY-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])cc2F)c(F)c1	ZINC001239247501	779483977	/nfs/dbraw/zinc/48/39/77/779483977.db2.gz	XCEIKUQIRCMUHR-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2F)cc1C#N	ZINC001239254806	779486404	/nfs/dbraw/zinc/48/64/04/779486404.db2.gz	RLMABQAKLOZYLX-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])cc2F)c(C#N)n1	ZINC001239257135	779486788	/nfs/dbraw/zinc/48/67/88/779486788.db2.gz	SIJWUNIFJKSPCL-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccncc1-c1ccc(C(=O)[O-])cc1F	ZINC001239261192	779489288	/nfs/dbraw/zinc/48/92/88/779489288.db2.gz	KAYKPDNZGZMWNY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])cc2F)ccc1C#N	ZINC001239267752	779494179	/nfs/dbraw/zinc/49/41/79/779494179.db2.gz	XKQCQXNVSCADMX-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1ccnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239333316	779522883	/nfs/dbraw/zinc/52/28/83/779522883.db2.gz	KWHFDDNQICSPNT-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1cccc(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239336298	779526227	/nfs/dbraw/zinc/52/62/27/779526227.db2.gz	CMUSWJXDWMVKMQ-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
COc1ccc(C#N)c(-c2c(F)ccc(C)c2[O-])n1	ZINC001236424353	779567711	/nfs/dbraw/zinc/56/77/11/779567711.db2.gz	HPZRZPNXYLETJD-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
COc1ncc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001239847919	779817243	/nfs/dbraw/zinc/81/72/43/779817243.db2.gz	PPHRHWRRSMJGON-PTXOJBNSSA-N	-1	0	297.236	2.979	20	30		CFEDRM
N#CCS(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1	ZINC000169163216	780177436	/nfs/dbraw/zinc/17/74/36/780177436.db2.gz	IMDZLYFQURLBJD-UHFFFAOYSA-N	-1	0	298.673	2.624	20	30		CFEDRM
COc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ncc1C#N	ZINC001240548751	780242414	/nfs/dbraw/zinc/24/24/14/780242414.db2.gz	XKIYZIIBFRGKGF-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
COc1cc(-c2nccc(C#N)c2C)ccc1C(=O)[O-]	ZINC001240742009	780407673	/nfs/dbraw/zinc/40/76/73/780407673.db2.gz	RWGVPSLJQSVQMZ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(CC(=O)[O-])cc2)cc1C#N	ZINC001240973560	780562747	/nfs/dbraw/zinc/56/27/47/780562747.db2.gz	LZNNINSYTSAUQF-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001241005890	780587727	/nfs/dbraw/zinc/58/77/27/780587727.db2.gz	ZKEVIVUWICKELI-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1ncc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212512328	780620505	/nfs/dbraw/zinc/62/05/05/780620505.db2.gz	HTUYWTKICGGPFK-UHFFFAOYSA-N	-1	0	293.204	2.812	20	30		CFEDRM
Cc1nnc(-c2c(F)cc([O-])cc2F)c(C#N)c1C	ZINC001241117648	780646343	/nfs/dbraw/zinc/64/63/43/780646343.db2.gz	TYLCSGUWHBKXNS-UHFFFAOYSA-N	-1	0	261.231	2.616	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001241184024	780688946	/nfs/dbraw/zinc/68/89/46/780688946.db2.gz	MZCNHLWRHFARPC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])c(F)c3)ccc2[nH]1	ZINC001241185201	780689748	/nfs/dbraw/zinc/68/97/48/780689748.db2.gz	RSNQSKWIQFJXNZ-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001241184943	780689827	/nfs/dbraw/zinc/68/98/27/780689827.db2.gz	IQTVWMINVJKSNI-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)c1	ZINC001241186456	780691008	/nfs/dbraw/zinc/69/10/08/780691008.db2.gz	NTMFLWHDXKYFMG-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
O=C([O-])c1ccc(-c2cccc(/C=N/O)c2)cc1F	ZINC001241186950	780691205	/nfs/dbraw/zinc/69/12/05/780691205.db2.gz	YTGWLQBHNHBHLR-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
Cc1cnc(C#N)c(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241347642	780801604	/nfs/dbraw/zinc/80/16/04/780801604.db2.gz	DZZCVPJSIIWJMU-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3cccc(C(=O)[O-])c3)c1-2	ZINC001241358478	780809126	/nfs/dbraw/zinc/80/91/26/780809126.db2.gz	QECRELWMITYHKD-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
COC(=O)c1cc(-c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC001241360564	780811525	/nfs/dbraw/zinc/81/15/25/780811525.db2.gz	MYYONBLYSHTVBL-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC[C@]1(C)C(=O)[O-]	ZINC000703718849	781049070	/nfs/dbraw/zinc/04/90/70/781049070.db2.gz	YYQRWRBJWNJLQL-CQSZACIVSA-N	-1	0	270.373	2.606	20	30		CFEDRM
CCCCCCCNC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000703726556	781052317	/nfs/dbraw/zinc/05/23/17/781052317.db2.gz	IQYRJDNLXQAGAR-CYBMUJFWSA-N	-1	0	284.400	2.853	20	30		CFEDRM
CCCCCCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000703744530	781054491	/nfs/dbraw/zinc/05/44/91/781054491.db2.gz	RURRLUISIAEKDL-CYBMUJFWSA-N	-1	0	284.400	2.757	20	30		CFEDRM
N#CCCOc1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241802152	781133297	/nfs/dbraw/zinc/13/32/97/781133297.db2.gz	FCCOEMHYAKJODR-UHFFFAOYSA-N	-1	0	268.272	2.739	20	30		CFEDRM
CC(C)(C#N)CNCc1c(O)cccc1Br	ZINC000706846156	781209270	/nfs/dbraw/zinc/20/92/70/781209270.db2.gz	CCBGZRXUJLOWDQ-UHFFFAOYSA-N	-1	0	283.169	2.794	20	30		CFEDRM
N#Cc1ncc(-c2cc(C(F)(F)F)ccc2[O-])nc1C#N	ZINC001242133005	781296131	/nfs/dbraw/zinc/29/61/31/781296131.db2.gz	APPKEQAAURTGEZ-UHFFFAOYSA-N	-1	0	290.204	2.611	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(CC#N)cn1	ZINC001242204532	781324653	/nfs/dbraw/zinc/32/46/53/781324653.db2.gz	JYEOUWZXTYAYQT-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncc(C#N)cc1C#N	ZINC001242205309	781325052	/nfs/dbraw/zinc/32/50/52/781325052.db2.gz	WRPMSLIISZPPHF-UHFFFAOYSA-N	-1	0	281.246	2.638	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc2ccc(C)cc2s1	ZINC000710027916	781326300	/nfs/dbraw/zinc/32/63/00/781326300.db2.gz	VOCYZXCMMPFXKS-UHFFFAOYSA-N	-1	0	294.401	2.760	20	30		CFEDRM
CCC(C#N)(CC)C(=O)[N-]OCCCC(F)(F)F	ZINC000710141738	781328074	/nfs/dbraw/zinc/32/80/74/781328074.db2.gz	SNUCLASAHWGJLB-UHFFFAOYSA-N	-1	0	266.263	2.707	20	30		CFEDRM
C/C(=N\C#N)N(C)Cc1ccc(-c2ccc(F)cc2[O-])nc1	ZINC001242215917	781331765	/nfs/dbraw/zinc/33/17/65/781331765.db2.gz	LBRZRXSAMHZEJW-RGVLZGJSSA-N	-1	0	298.321	2.925	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(F)cc2[O-])c(C#N)c1	ZINC001242218108	781333059	/nfs/dbraw/zinc/33/30/59/781333059.db2.gz	SBLLKWGNVJOKNF-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(F)cc2[O-])ccc1C#N	ZINC001242219393	781334560	/nfs/dbraw/zinc/33/45/60/781334560.db2.gz	RJNUEENVUFSAEO-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc(CC(=O)[O-])c3)ccc12	ZINC001242261665	781347364	/nfs/dbraw/zinc/34/73/64/781347364.db2.gz	KFZMIRKHRNQMBO-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3cccc(CC(=O)[O-])c3)c1-2	ZINC001242262961	781347894	/nfs/dbraw/zinc/34/78/94/781347894.db2.gz	XWUYLCUPWRGWRB-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
Cc1ccc(-c2cccc(CC(=O)[O-])c2)c(C#N)n1	ZINC001242262575	781348251	/nfs/dbraw/zinc/34/82/51/781348251.db2.gz	ROPCDCKAEKUGBJ-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1cc2cccnc2nc1-c1cccc(CC(=O)[O-])c1	ZINC001242264116	781349373	/nfs/dbraw/zinc/34/93/73/781349373.db2.gz	VDYKUXUJUDLLTJ-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
N#Cc1nc(-c2ccc(C(=O)[O-])nc2)ccc1C(F)(F)F	ZINC001242333663	781403540	/nfs/dbraw/zinc/40/35/40/781403540.db2.gz	LCRQFQSICFRAQQ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1-c1ccc(C(=O)[O-])nc1	ZINC001242335056	781404987	/nfs/dbraw/zinc/40/49/87/781404987.db2.gz	YQGOCLBPUFXKRW-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
CC(C)(C#N)c1ccc(-c2ccc(C(=O)[O-])nc2)cn1	ZINC001242336173	781407709	/nfs/dbraw/zinc/40/77/09/781407709.db2.gz	AXLPOCFDSBVRNU-UHFFFAOYSA-N	-1	0	267.288	2.643	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1cccc(C(=O)[O-])c1F	ZINC001242377751	781446645	/nfs/dbraw/zinc/44/66/45/781446645.db2.gz	FWEAYIQJVZRICA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccccc1C=NO	ZINC001242392503	781461506	/nfs/dbraw/zinc/46/15/06/781461506.db2.gz	FHINXIMSLQVZDB-UHFFFAOYSA-N	-1	0	271.272	2.869	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1c(C)ccnc1C#N	ZINC001242393019	781461898	/nfs/dbraw/zinc/46/18/98/781461898.db2.gz	KGKBVWPCJDXZJS-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cn1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)n1	ZINC001242459099	781514894	/nfs/dbraw/zinc/51/48/94/781514894.db2.gz	AFRAECQQHQGGHC-FRKPEAEDSA-N	-1	0	269.226	2.914	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc([S-])c3)ncc12	ZINC001242866038	781811878	/nfs/dbraw/zinc/81/18/78/781811878.db2.gz	JUWIIPJLOJGEDX-UHFFFAOYSA-N	-1	0	252.302	2.785	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccccc2C(=O)[O-])c1	ZINC001242880590	781820023	/nfs/dbraw/zinc/82/00/23/781820023.db2.gz	IBXUEONPUHSRIR-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc2c(cc1C#N)CCC2	ZINC001242921960	781843710	/nfs/dbraw/zinc/84/37/10/781843710.db2.gz	RWBJIWNLSDAFOZ-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C#N)cc1C#N	ZINC001242923296	781844238	/nfs/dbraw/zinc/84/42/38/781844238.db2.gz	GUQAEAIUEVJYTN-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
Cc1cc(CN=c2nc(CC(C)C)[n-]s2)ccc1C#N	ZINC000594735606	349483971	/nfs/dbraw/zinc/48/39/71/349483971.db2.gz	KMHFTTUIPJGCQW-UHFFFAOYSA-N	-1	0	286.404	2.951	20	30		CFEDRM
C[C@H]1CCCN(C(=O)CC2(C#N)CCCCC2)[C@@H]1C(=O)[O-]	ZINC000595281404	349590186	/nfs/dbraw/zinc/59/01/86/349590186.db2.gz	KYYZDTWGFYTYHU-JSGCOSHPSA-N	-1	0	292.379	2.562	20	30		CFEDRM
CC(C)(C)CN(CC(=O)[O-])C(=O)CC1(C#N)CCCCC1	ZINC000595278416	349590276	/nfs/dbraw/zinc/59/02/76/349590276.db2.gz	ZLDVNMPBMQOOIK-UHFFFAOYSA-N	-1	0	294.395	2.810	20	30		CFEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1(C)CCCC1	ZINC000069579320	346896669	/nfs/dbraw/zinc/89/66/69/346896669.db2.gz	QLHFDNVRPCDRKT-UHFFFAOYSA-N	-1	0	286.353	2.517	20	30		CFEDRM
N#Cc1ccc(NC(=O)NCCCCC(=O)[O-])cc1Cl	ZINC000070200405	346908039	/nfs/dbraw/zinc/90/80/39/346908039.db2.gz	BUPCTHVPTRPYAA-UHFFFAOYSA-N	-1	0	295.726	2.588	20	30		CFEDRM
N#Cc1c(C(F)F)cccc1N1CCC[C@@H](C(=O)[O-])C1	ZINC000595966117	349772859	/nfs/dbraw/zinc/77/28/59/349772859.db2.gz	MYOKTUVHGGNGKI-SECBINFHSA-N	-1	0	280.274	2.797	20	30		CFEDRM
Cc1nsc(NC[C@H](CC(=O)[O-])CC(C)C)c1C#N	ZINC000595971763	349773024	/nfs/dbraw/zinc/77/30/24/349773024.db2.gz	UKWGESPLOWLUMF-JTQLQIEISA-N	-1	0	281.381	2.872	20	30		CFEDRM
N#Cc1[n-]c(=N[C@H](CO)CC2CCCCC2)sc1Cl	ZINC000596276571	349850758	/nfs/dbraw/zinc/85/07/58/349850758.db2.gz	DMUBGUHYXYZICE-JTQLQIEISA-N	-1	0	299.827	2.833	20	30		CFEDRM
CC[C@@H](N=c1[n-]c(C#N)c(Cl)s1)[C@H]1CCCCO1	ZINC000596296987	349855525	/nfs/dbraw/zinc/85/55/25/349855525.db2.gz	ORNUQUTXDRKQRS-PSASIEDQSA-N	-1	0	285.800	2.850	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCCc2ccc(C#N)cc2)s1	ZINC000596319983	349862610	/nfs/dbraw/zinc/86/26/10/349862610.db2.gz	JCXHVVQDHCXGTA-UHFFFAOYSA-N	-1	0	286.404	2.784	20	30		CFEDRM
C=CCCSCCN=c1nc(CCC)[n-]s1	ZINC000596413876	349895601	/nfs/dbraw/zinc/89/56/01/349895601.db2.gz	YOONRVXBCPCDLI-UHFFFAOYSA-N	-1	0	257.428	2.634	20	30		CFEDRM
C[C@@H](CC#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000073172784	260280842	/nfs/dbraw/zinc/28/08/42/260280842.db2.gz	MPMATGNCYGGGCJ-ZETCQYMHSA-N	-1	0	261.306	2.522	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000042530469	346366795	/nfs/dbraw/zinc/36/67/95/346366795.db2.gz	RESHZZHNKYWIPM-UHFFFAOYSA-N	-1	0	286.253	2.574	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCCCC2	ZINC000042280329	346363155	/nfs/dbraw/zinc/36/31/55/346363155.db2.gz	VUWXQUFQNZVYMP-UHFFFAOYSA-N	-1	0	287.406	2.671	20	30		CFEDRM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1CCCCC1	ZINC000042291209	346363384	/nfs/dbraw/zinc/36/33/84/346363384.db2.gz	UTCXTTSAXXONMM-UHFFFAOYSA-N	-1	0	286.353	2.517	20	30		CFEDRM
C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000076761059	347152239	/nfs/dbraw/zinc/15/22/39/347152239.db2.gz	QDYXGNRNGWCBBY-QWRGUYRKSA-N	-1	0	282.365	2.553	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)s1	ZINC000084844221	347475318	/nfs/dbraw/zinc/47/53/18/347475318.db2.gz	ZZEZVAWLNWWXBS-UHFFFAOYSA-N	-1	0	273.379	2.748	20	30		CFEDRM
CC1CC(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000084844399	347475499	/nfs/dbraw/zinc/47/54/99/347475499.db2.gz	UFIZVHPIUWWLOQ-UHFFFAOYSA-N	-1	0	289.303	2.656	20	30		CFEDRM
CC1CC(C(=O)[N-]S(=O)(=O)c2ccccc2F)C1	ZINC000084844352	347475908	/nfs/dbraw/zinc/47/59/08/347475908.db2.gz	DOAWUYAXJFIPGW-UHFFFAOYSA-N	-1	0	271.313	2.517	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1OCC	ZINC000089285310	347515589	/nfs/dbraw/zinc/51/55/89/347515589.db2.gz	BKLRPLDQXYMPQO-MDZDMXLPSA-N	-1	0	295.360	2.571	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NCC1(C(=O)[O-])CCC1	ZINC000138562840	347916628	/nfs/dbraw/zinc/91/66/28/347916628.db2.gz	AEPYRWTVCXOYPL-UHFFFAOYSA-N	-1	0	264.712	2.878	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NCC1(C(=O)[O-])CCC1	ZINC000138563497	347916823	/nfs/dbraw/zinc/91/68/23/347916823.db2.gz	IQJOOAVFDQXKPC-UHFFFAOYSA-N	-1	0	264.712	2.878	20	30		CFEDRM
CCc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c([O-])c1	ZINC000290606316	348352646	/nfs/dbraw/zinc/35/26/46/348352646.db2.gz	ROXGCDOOYMEGCB-UHFFFAOYSA-N	-1	0	296.330	2.679	20	30		CFEDRM
N#CC(=C([O-])c1sccc1OC(F)F)c1ccncn1	ZINC000354471483	348501236	/nfs/dbraw/zinc/50/12/36/348501236.db2.gz	OBJGPTBFNCGICC-SSDOTTSWSA-N	-1	0	295.270	2.630	20	30		CFEDRM
C=C(CC)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000574456544	348668975	/nfs/dbraw/zinc/66/89/75/348668975.db2.gz	PKVUKZFEGULAQZ-UHFFFAOYSA-N	-1	0	264.281	2.980	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc2ccccc2s1	ZINC000591862697	349052077	/nfs/dbraw/zinc/05/20/77/349052077.db2.gz	ZABISDIMZPDROH-MRVPVSSYSA-N	-1	0	269.285	2.774	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N1CCC[C@H](C(=O)[O-])C1	ZINC000591325312	349009276	/nfs/dbraw/zinc/00/92/76/349009276.db2.gz	VUHJDXNAEAWSEO-LBPRGKRZSA-N	-1	0	295.342	2.716	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2Cl)C1	ZINC000592421078	349118447	/nfs/dbraw/zinc/11/84/47/349118447.db2.gz	LWMWOONIGLXIBA-WPRPVWTQSA-N	-1	0	279.727	2.927	20	30		CFEDRM
C[C@@]1(C#N)CCCN(c2ncc(C(=O)[O-])cc2Cl)C1	ZINC000592427363	349118683	/nfs/dbraw/zinc/11/86/83/349118683.db2.gz	RZVUVXFRHIYPIO-ZDUSSCGKSA-N	-1	0	279.727	2.563	20	30		CFEDRM
CC(=Cc1cccc2c1CCC2)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000593165659	349221843	/nfs/dbraw/zinc/22/18/43/349221843.db2.gz	RUEBWYOFMAFWAS-PKNBQFBNSA-N	-1	0	291.354	2.999	20	30		CFEDRM
CC[C@@H](C)N(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000597855478	350143249	/nfs/dbraw/zinc/14/32/49/350143249.db2.gz	RPBFYCCTZADGCI-SECBINFHSA-N	-1	0	293.392	2.641	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000597996703	350175693	/nfs/dbraw/zinc/17/56/93/350175693.db2.gz	ARURGLKKCWNKNB-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
C[C@]1(C#N)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000598415191	350263527	/nfs/dbraw/zinc/26/35/27/350263527.db2.gz	NGNIPULHBRXOHW-CYBMUJFWSA-N	-1	0	282.702	2.560	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccsc1Cl	ZINC000598734212	350322547	/nfs/dbraw/zinc/32/25/47/350322547.db2.gz	IDRJZANJFFVBKZ-UHFFFAOYSA-N	-1	0	292.751	2.548	20	30		CFEDRM
N#Cc1nc(NC(=O)CC(C2CCC2)C2CCC2)[n-]c1C#N	ZINC000600815671	350617143	/nfs/dbraw/zinc/61/71/43/350617143.db2.gz	BKOZEFHFIQQZPM-UHFFFAOYSA-N	-1	0	297.362	2.698	20	30		CFEDRM
N#Cc1c[n-][nH]c1=NC(=O)C1CCC(c2ccccc2)CC1	ZINC000601640619	350752327	/nfs/dbraw/zinc/75/23/27/350752327.db2.gz	JDFOOEVBGDWINB-UHFFFAOYSA-N	-1	0	294.358	2.616	20	30		CFEDRM
C[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1cccc(C#N)c1	ZINC000601991956	350824759	/nfs/dbraw/zinc/82/47/59/350824759.db2.gz	QLTCOWWVXOJENS-NSHDSACASA-N	-1	0	288.347	2.626	20	30		CFEDRM
CN(C(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCC[C@H]1C#N	ZINC000601824184	350787157	/nfs/dbraw/zinc/78/71/57/350787157.db2.gz	UKUSIKXGCMSYMC-JQWIXIFHSA-N	-1	0	278.739	2.810	20	30		CFEDRM
Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1CCC#N	ZINC000601937146	350809181	/nfs/dbraw/zinc/80/91/81/350809181.db2.gz	ZOABRBVQVUZHMJ-LBPRGKRZSA-N	-1	0	286.291	2.546	20	30		CFEDRM
Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1CCC#N	ZINC000601939567	350809958	/nfs/dbraw/zinc/80/99/58/350809958.db2.gz	MPHBBRAVRRRACB-GFCCVEGCSA-N	-1	0	293.273	2.930	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1	ZINC000601987447	350824092	/nfs/dbraw/zinc/82/40/92/350824092.db2.gz	XUXBWDSSUYFYCI-AWEZNQCLSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000601993807	350825287	/nfs/dbraw/zinc/82/52/87/350825287.db2.gz	VDTIKZMNMJPMOJ-OLZOCXBDSA-N	-1	0	286.331	2.696	20	30		CFEDRM
CC#CCSc1n[n-]c(=NCCc2ccccc2)s1	ZINC000608101724	351402934	/nfs/dbraw/zinc/40/29/34/351402934.db2.gz	LXZCDCVJIWOHPS-UHFFFAOYSA-N	-1	0	289.429	2.730	20	30		CFEDRM
C=CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1	ZINC000271432105	191134497	/nfs/dbraw/zinc/13/44/97/191134497.db2.gz	RSMIKZATJVYRCZ-UHFFFAOYSA-N	-1	0	274.345	2.907	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccccc1	ZINC000612707567	351854611	/nfs/dbraw/zinc/85/46/11/351854611.db2.gz	AFHBMIVKGFCFNI-ZDUSSCGKSA-N	-1	0	285.347	2.563	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc2c(s1)CCCC2	ZINC000291874384	198091379	/nfs/dbraw/zinc/09/13/79/198091379.db2.gz	LVJXEHBPYUJUQU-UHFFFAOYSA-N	-1	0	286.422	2.730	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(F)cc1[O-]	ZINC000618892923	352906990	/nfs/dbraw/zinc/90/69/90/352906990.db2.gz	SMNBFHUQEYIFLJ-HNNXBMFYSA-N	-1	0	296.301	2.820	20	30		CFEDRM
C=CCCC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000621582766	353381854	/nfs/dbraw/zinc/38/18/54/353381854.db2.gz	YCBZLSNXMGKWPH-ZIAGYGMSSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000630228623	355030486	/nfs/dbraw/zinc/03/04/86/355030486.db2.gz	CMYJRYHWJJSUSU-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCc2occc2[C@@H]1C(=O)[O-]	ZINC000630240148	355032479	/nfs/dbraw/zinc/03/24/79/355032479.db2.gz	VQUPZNLRRZMSSC-CQSZACIVSA-N	-1	0	289.331	2.558	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000630288681	355038756	/nfs/dbraw/zinc/03/87/56/355038756.db2.gz	HMOWNZZEPLLBHH-AWEZNQCLSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC1(CNC(=O)c2cc(C(=O)[O-])ccn2)CCCC1	ZINC000630292492	355041327	/nfs/dbraw/zinc/04/13/27/355041327.db2.gz	QSRMWKIKQGEROJ-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630181684	355024384	/nfs/dbraw/zinc/02/43/84/355024384.db2.gz	LABBMESNUBJZAU-OLZOCXBDSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000630316783	355048467	/nfs/dbraw/zinc/04/84/67/355048467.db2.gz	HXGZRWOSRGNAOE-SNVBAGLBSA-N	-1	0	296.392	2.724	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)CCCCC(=O)[O-]	ZINC000630312960	355048548	/nfs/dbraw/zinc/04/85/48/355048548.db2.gz	CMKHQWCHJWVVKK-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000630318525	355049423	/nfs/dbraw/zinc/04/94/23/355049423.db2.gz	IBKIHJYKQNXATQ-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-]	ZINC000630317213	355049579	/nfs/dbraw/zinc/04/95/79/355049579.db2.gz	MTULVQWFTNJCDS-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-]	ZINC000630320115	355049970	/nfs/dbraw/zinc/04/99/70/355049970.db2.gz	PDNLKERTCGXHTO-VXGBXAGGSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000630321104	355050775	/nfs/dbraw/zinc/05/07/75/355050775.db2.gz	FLWCGAUBUSNWIR-QJPTWQEYSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1oc(C(F)F)cc1C)C(=O)[O-]	ZINC000630321658	355050875	/nfs/dbraw/zinc/05/08/75/355050875.db2.gz	LBXVQPAGGUXGEO-QMMMGPOBSA-N	-1	0	287.262	2.675	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000630321105	355051048	/nfs/dbraw/zinc/05/10/48/355051048.db2.gz	FLWCGAUBUSNWIR-TUAOUCFPSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000630324486	355051536	/nfs/dbraw/zinc/05/15/36/355051536.db2.gz	FBLKZKHDCUQYIN-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCC[C@@H]1CCC)C(=O)[O-]	ZINC000630322149	355051605	/nfs/dbraw/zinc/05/16/05/355051605.db2.gz	QAPMSKGZZHLHBR-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000630326675	355053051	/nfs/dbraw/zinc/05/30/51/355053051.db2.gz	RTRZJYLRFBEMDZ-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000630327299	355053076	/nfs/dbraw/zinc/05/30/76/355053076.db2.gz	ZAKFFSUONXLRSW-OCCSQVGLSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1cccc(Cl)c1)C(=O)[O-]	ZINC000630466806	355090701	/nfs/dbraw/zinc/09/07/01/355090701.db2.gz	AAVQMDGEORNKDV-GFCCVEGCSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)[O-]	ZINC000630466809	355090732	/nfs/dbraw/zinc/09/07/32/355090732.db2.gz	AAVQMDGEORNKDV-LBPRGKRZSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@H](C)c1ccc(C)cc1)C(=O)[O-]	ZINC000630469181	355091450	/nfs/dbraw/zinc/09/14/50/355091450.db2.gz	KMTMVNOURNSAAC-OCCSQVGLSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N([C@H](CC)C(=O)[O-])C1CC1	ZINC000630482327	355093002	/nfs/dbraw/zinc/09/30/02/355093002.db2.gz	CXKRGQZBEKBCJC-GFCCVEGCSA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000633966110	356046593	/nfs/dbraw/zinc/04/65/93/356046593.db2.gz	FZVOTWUBOFPMPR-UHFFFAOYSA-N	-1	0	289.335	2.651	20	30		CFEDRM
CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000633899146	356029133	/nfs/dbraw/zinc/02/91/33/356029133.db2.gz	DLGZTNBKYSTGRX-LLVKDONJSA-N	-1	0	294.314	2.843	20	30		CFEDRM
C=CC(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000384970096	540804803	/nfs/dbraw/zinc/80/48/03/540804803.db2.gz	PBVJFIIZUAFVAG-LBPRGKRZSA-N	-1	0	284.400	2.635	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000276205754	193242213	/nfs/dbraw/zinc/24/22/13/193242213.db2.gz	KQHSQPKFRKMNIK-MRXNPFEDSA-N	-1	0	291.347	2.762	20	30		CFEDRM
COc1cc(C#N)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000013247883	372021627	/nfs/dbraw/zinc/02/16/27/372021627.db2.gz	MYNPJDCFYFFNGZ-UHFFFAOYSA-N	-1	0	283.283	2.844	20	30		CFEDRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000016149071	372099175	/nfs/dbraw/zinc/09/91/75/372099175.db2.gz	KIAXOFUOJNZRQN-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)NCCCC(C)C)cc1C#N	ZINC000025328612	372296975	/nfs/dbraw/zinc/29/69/75/372296975.db2.gz	RIVLVYNOGHAOLG-UHFFFAOYSA-N	-1	0	293.392	2.547	20	30		CFEDRM
CC(C)(C)C(C)(C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000451695592	383685658	/nfs/dbraw/zinc/68/56/58/383685658.db2.gz	DVXKQUGCDSLGAE-UHFFFAOYSA-N	-1	0	274.368	2.591	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)s1	ZINC000048515169	373194354	/nfs/dbraw/zinc/19/43/54/373194354.db2.gz	XPFODXIRBNKEIL-UHFFFAOYSA-N	-1	0	261.368	2.748	20	30		CFEDRM
CC1(C(=O)[O-])CCN(c2cccc(Cl)c2C#N)CC1	ZINC000062843641	373766779	/nfs/dbraw/zinc/76/67/79/373766779.db2.gz	AMFNYOIKFXYHSF-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c2OCO3)n1	ZINC000077429267	374562801	/nfs/dbraw/zinc/56/28/01/374562801.db2.gz	MJHRMOPAVYGCAO-SNVBAGLBSA-N	-1	0	286.312	2.670	20	30		CFEDRM
N#Cc1cccc(/C=C/C(=O)NOC2CCCCC2)c1	ZINC000492664946	246357084	/nfs/dbraw/zinc/35/70/84/246357084.db2.gz	YNCBXQLJECSUEZ-MDZDMXLPSA-N	-1	0	270.332	2.952	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](CC2CCCC2)C(C)C)c1C#N	ZINC000508739131	247182231	/nfs/dbraw/zinc/18/22/31/247182231.db2.gz	SIZPGJQJLAHOJP-ZDUSSCGKSA-N	-1	0	288.395	2.803	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1Cc2c1cccc2Cl	ZINC000529511249	383715232	/nfs/dbraw/zinc/71/52/32/383715232.db2.gz	HOJISANEVCLOMZ-NSHDSACASA-N	-1	0	251.713	2.604	20	30		CFEDRM
CCc1nnc(NCCCCCC(=O)[O-])c(C#N)c1CC	ZINC000124800094	377090465	/nfs/dbraw/zinc/09/04/65/377090465.db2.gz	GFUMWDNYFVTYCB-UHFFFAOYSA-N	-1	0	290.367	2.530	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cncc(C)c2)n1	ZINC000131921347	377778303	/nfs/dbraw/zinc/77/83/03/377778303.db2.gz	CIUAAXFMRQENDO-NSHDSACASA-N	-1	0	257.318	2.645	20	30		CFEDRM
COCCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000134740992	378045639	/nfs/dbraw/zinc/04/56/39/378045639.db2.gz	SZFIFHLWISKHIL-UHFFFAOYSA-N	-1	0	279.384	2.769	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3cccc(F)c3C2)cc1O	ZINC000335803762	379914177	/nfs/dbraw/zinc/91/41/77/379914177.db2.gz	QZHFFQLBQMAZRX-UHFFFAOYSA-N	-1	0	296.301	2.601	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1F	ZINC000180467691	380664007	/nfs/dbraw/zinc/66/40/07/380664007.db2.gz	NXBANYKLEHIMIL-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C#N)o2)s1	ZINC000288488415	197092052	/nfs/dbraw/zinc/09/20/52/197092052.db2.gz	CUSUGNFUMJUOAL-UHFFFAOYSA-N	-1	0	297.361	2.532	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2c[nH]c(C#N)c2)n1	ZINC000181773384	380891152	/nfs/dbraw/zinc/89/11/52/380891152.db2.gz	MVOVIEGNCMMVOS-NSHDSACASA-N	-1	0	284.344	2.956	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc2n1	ZINC000354460710	381286640	/nfs/dbraw/zinc/28/66/40/381286640.db2.gz	FPFAKCTWUURARJ-AWEZNQCLSA-N	-1	0	288.310	2.823	20	30		CFEDRM
CCc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354461655	381286207	/nfs/dbraw/zinc/28/62/07/381286207.db2.gz	CJAUVQCTUQZXMQ-NSHDSACASA-N	-1	0	271.345	2.899	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1(C#N)CCC1	ZINC000184316294	381400711	/nfs/dbraw/zinc/40/07/11/381400711.db2.gz	TWGSLTSITPVOHW-UHFFFAOYSA-N	-1	0	282.702	2.703	20	30		CFEDRM
COc1ccc(C#N)cc1[N-]S(=O)(=O)CCC(C)(C)C	ZINC000290483252	381446205	/nfs/dbraw/zinc/44/62/05/381446205.db2.gz	GFTQZGXGQSFBEM-UHFFFAOYSA-N	-1	0	296.392	2.745	20	30		CFEDRM
CCCc1occc1C([O-])=C(C#N)c1ccncn1	ZINC000342679600	381474411	/nfs/dbraw/zinc/47/44/11/381474411.db2.gz	WGYOMFZIIDZOGV-NSHDSACASA-N	-1	0	255.277	2.512	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)Sc1ccccc1Cl	ZINC000291224295	381713949	/nfs/dbraw/zinc/71/39/49/381713949.db2.gz	JUCYLHFEQYPGRV-SECBINFHSA-N	-1	0	269.753	2.502	20	30		CFEDRM
C=CCCC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CC1	ZINC000355539686	381780675	/nfs/dbraw/zinc/78/06/75/381780675.db2.gz	DYDAKHAQZQJNQW-UHFFFAOYSA-N	-1	0	299.330	2.715	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361522843	381838617	/nfs/dbraw/zinc/83/86/17/381838617.db2.gz	BVVPLZARUMFXFJ-JTQLQIEISA-N	-1	0	292.298	2.670	20	30		CFEDRM
Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1C	ZINC000361542069	381841949	/nfs/dbraw/zinc/84/19/49/381841949.db2.gz	VXJRXVCODUPEOT-CQSZACIVSA-N	-1	0	290.326	2.767	20	30		CFEDRM
N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1ccncn1	ZINC000361791789	381863899	/nfs/dbraw/zinc/86/38/99/381863899.db2.gz	FKKLSEASIBEIJC-ZDUSSCGKSA-N	-1	0	295.346	2.668	20	30		CFEDRM
Cc1sc(/C=C/c2nc(C#N)cs2)nc1C(=O)[O-]	ZINC000357074452	381999867	/nfs/dbraw/zinc/99/98/67/381999867.db2.gz	MLAXJHPYTHFVAE-NSCUHMNNSA-N	-1	0	277.330	2.648	20	30		CFEDRM
N#CCC1(CN=c2[n-]nc(Cc3ccccc3)s2)CC1	ZINC000362359413	382024059	/nfs/dbraw/zinc/02/40/59/382024059.db2.gz	NFLUEZLHHACGTK-UHFFFAOYSA-N	-1	0	284.388	2.657	20	30		CFEDRM
Cc1cnn(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000420278415	382340314	/nfs/dbraw/zinc/34/03/14/382340314.db2.gz	NXFUCMTTZVDQOD-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
CC(C)(C)c1nc(=NCc2ccc(C#N)s2)s[n-]1	ZINC000420608666	382423650	/nfs/dbraw/zinc/42/36/50/382423650.db2.gz	HRUUDHTUYNERQA-UHFFFAOYSA-N	-1	0	278.406	2.803	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1nc(C)cs1	ZINC000188722630	382464267	/nfs/dbraw/zinc/46/42/67/382464267.db2.gz	JOQZYBMIKYOIKA-UHFFFAOYSA-N	-1	0	287.344	2.696	20	30		CFEDRM
CCOc1ccccc1N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188826351	382485933	/nfs/dbraw/zinc/48/59/33/382485933.db2.gz	FNQYWGRNEIAWIC-UHFFFAOYSA-N	-1	0	296.326	2.939	20	30		CFEDRM
C[C@H](C1CC1)n1cc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000188830848	382487571	/nfs/dbraw/zinc/48/75/71/382487571.db2.gz	VWHKUBCUNHABCV-SNVBAGLBSA-N	-1	0	296.330	2.684	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1	ZINC000188879915	382498709	/nfs/dbraw/zinc/49/87/09/382498709.db2.gz	ZRYZKTDJHZDWPL-GJZGRUSLSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCc1cccc(Cl)c1)C(=O)[O-]	ZINC000316186640	382528854	/nfs/dbraw/zinc/52/88/54/382528854.db2.gz	XIMRGFKDKOHKJJ-GFCCVEGCSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C[C@H](CC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000191015028	382688308	/nfs/dbraw/zinc/68/83/08/382688308.db2.gz	XYUKMWHXZRNAIE-GFCCVEGCSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CC(=O)[O-])C1	ZINC000398194164	382635527	/nfs/dbraw/zinc/63/55/27/382635527.db2.gz	BXXXHSQTAZPIEE-QWHCGFSZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000424763131	383253844	/nfs/dbraw/zinc/25/38/44/383253844.db2.gz	ZOOGEAZCIGLWDU-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000567844461	383321163	/nfs/dbraw/zinc/32/11/63/383321163.db2.gz	NBANOSMAKOKENZ-NEPJUHHUSA-N	-1	0	293.388	2.620	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634899218	383396683	/nfs/dbraw/zinc/39/66/83/383396683.db2.gz	GDCXKRUXPYFIIJ-BDJLRTHQSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CC(C)(C)CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634840529	383375507	/nfs/dbraw/zinc/37/55/07/383375507.db2.gz	ODIFURAUCZDLTG-OAHLLOKOSA-N	-1	0	295.404	2.809	20	30		CFEDRM
C=C(CC)CNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634840786	383376841	/nfs/dbraw/zinc/37/68/41/383376841.db2.gz	VLLVXYIUEKEBSB-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
CCc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1F	ZINC000340981067	383517366	/nfs/dbraw/zinc/51/73/66/383517366.db2.gz	ZELXBQDXXPADTQ-UHFFFAOYSA-N	-1	0	294.307	2.654	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000570293970	383591982	/nfs/dbraw/zinc/59/19/82/383591982.db2.gz	SYGJDWBVYWFYPB-LBPRGKRZSA-N	-1	0	279.361	2.758	20	30		CFEDRM
CC(=O)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F	ZINC000341073636	383554921	/nfs/dbraw/zinc/55/49/21/383554921.db2.gz	GDBYSLMAASLXTI-UHFFFAOYSA-N	-1	0	298.273	2.858	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C#N)o1	ZINC000429671261	383557721	/nfs/dbraw/zinc/55/77/21/383557721.db2.gz	JVXARKVZLNIHSX-NSHDSACASA-N	-1	0	290.282	2.528	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000261857899	383571138	/nfs/dbraw/zinc/57/11/38/383571138.db2.gz	XJQBQSSVQXIJEJ-UHFFFAOYSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000262721656	383637366	/nfs/dbraw/zinc/63/73/66/383637366.db2.gz	FECMZDSFAMGEKQ-XJKSGUPXSA-N	-1	0	279.380	2.905	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)ccn2)c1	ZINC000436643445	383862164	/nfs/dbraw/zinc/86/21/64/383862164.db2.gz	DYSDCFOTDIVXAP-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)o2)c1	ZINC000436765057	383892862	/nfs/dbraw/zinc/89/28/62/383892862.db2.gz	OQDJESMARCUQQT-UHFFFAOYSA-N	-1	0	284.271	2.702	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1cccc(Cl)c1)C(=O)[O-]	ZINC000574998011	384174193	/nfs/dbraw/zinc/17/41/93/384174193.db2.gz	UUWPAMQKRGZNAO-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
CCC1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCOCC1	ZINC000266763139	384234928	/nfs/dbraw/zinc/23/49/28/384234928.db2.gz	WELZJWYDPRSJPG-MHWRWJLKSA-N	-1	0	292.335	2.926	20	30		CFEDRM
C[C@@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336011727	533119898	/nfs/dbraw/zinc/11/98/98/533119898.db2.gz	PFYWKMNPDCPOKC-YFKPBYRVSA-N	-1	0	259.092	2.797	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N=c1ncn(C(C)(C)C)[n-]1	ZINC000639965549	385796434	/nfs/dbraw/zinc/79/64/34/385796434.db2.gz	XWKVHBRDKMTAPU-UHFFFAOYSA-N	-1	0	293.415	2.569	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C2CC(C(=O)[O-])C2)c1	ZINC000682704873	542582514	/nfs/dbraw/zinc/58/25/14/542582514.db2.gz	TUKZCNCURWPKRG-UHFFFAOYSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000262195559	131200280	/nfs/dbraw/zinc/20/02/80/131200280.db2.gz	ZIERCTWLSRTSPO-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262525833	131229657	/nfs/dbraw/zinc/22/96/57/131229657.db2.gz	OQDBEFPXONJHDQ-GFCCVEGCSA-N	-1	0	291.347	2.921	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000263303162	131289575	/nfs/dbraw/zinc/28/95/75/131289575.db2.gz	VBOCAQZPEYOMBG-JSGCOSHPSA-N	-1	0	275.348	2.573	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc2ccccc2[nH]1	ZINC000683688700	542709097	/nfs/dbraw/zinc/70/90/97/542709097.db2.gz	GAPMMYYIALULPC-QMMMGPOBSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2CCCC(C)(C)C2=O)s1	ZINC000412978884	393777509	/nfs/dbraw/zinc/77/75/09/393777509.db2.gz	OOPXPROZVQASHU-VIFPVBQESA-N	-1	0	297.449	2.798	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCC(C)(C)CC#N)s1	ZINC000413405806	393783037	/nfs/dbraw/zinc/78/30/37/393783037.db2.gz	JQHGMKWKLKHOIT-UHFFFAOYSA-N	-1	0	252.387	2.609	20	30		CFEDRM
C=CCOCCCC(=O)N[C@H](CC(=O)[O-])C1CCCCC1	ZINC000345975042	393919348	/nfs/dbraw/zinc/91/93/48/393919348.db2.gz	ICUGUBFOBGUION-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1ccc(C#N)nc1)C(=O)[O-]	ZINC000416441890	393920044	/nfs/dbraw/zinc/92/00/44/393920044.db2.gz	SAFOHLOULSOJEJ-GFCCVEGCSA-N	-1	0	261.325	2.645	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000263298123	393961669	/nfs/dbraw/zinc/96/16/69/393961669.db2.gz	TTXZGSDBMAIVGF-WFASDCNBSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCCCCCNC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000519714992	394376536	/nfs/dbraw/zinc/37/65/36/394376536.db2.gz	WZJGRCXACPWMIV-UHFFFAOYSA-N	-1	0	280.397	2.705	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000685019253	542888509	/nfs/dbraw/zinc/88/85/09/542888509.db2.gz	AHWPLXIQIYNVQI-GFCCVEGCSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000685020322	542888528	/nfs/dbraw/zinc/88/85/28/542888528.db2.gz	ZUGZUYWCIORUOV-YVEFUNNKSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000648345098	395544603	/nfs/dbraw/zinc/54/46/03/395544603.db2.gz	QYZMUNPLNKRXJK-ZFWWWQNUSA-N	-1	0	287.359	2.642	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1C	ZINC000194894652	543095666	/nfs/dbraw/zinc/09/56/66/543095666.db2.gz	FEMQYWBFORLNSV-LBPRGKRZSA-N	-1	0	279.299	2.965	20	30		CFEDRM
C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc(O)cc2)no1	ZINC000656747343	413175502	/nfs/dbraw/zinc/17/55/02/413175502.db2.gz	JBFMPLGTIQSYGH-CYBMUJFWSA-N	-1	0	287.319	2.586	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000653344064	413295532	/nfs/dbraw/zinc/29/55/32/413295532.db2.gz	MTIZBCWFMFCGBR-GXTWGEPZSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCCCCNC(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000653531346	413351376	/nfs/dbraw/zinc/35/13/76/413351376.db2.gz	IVGFWXJFMRFQCL-ZDUSSCGKSA-N	-1	0	282.384	2.772	20	30		CFEDRM
N#Cc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1	ZINC000347423312	162687519	/nfs/dbraw/zinc/68/75/19/162687519.db2.gz	VBBOEIKEQZSDFD-WAYWQWQTSA-N	-1	0	250.257	2.822	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)CCCC(=O)[O-])c1	ZINC000009824174	170386502	/nfs/dbraw/zinc/38/65/02/170386502.db2.gz	MBSWGTQESGXEIL-UHFFFAOYSA-N	-1	0	277.320	2.835	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)cc1	ZINC000021991333	171347015	/nfs/dbraw/zinc/34/70/15/171347015.db2.gz	UICSWWPNJMJEDA-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
N#Cc1ccc(NCCCCCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000035663913	172343007	/nfs/dbraw/zinc/34/30/07/172343007.db2.gz	ZBRGLXBSJMBVFR-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000652077846	413818015	/nfs/dbraw/zinc/81/80/15/413818015.db2.gz	URSPXKYQKKTYQE-LBPRGKRZSA-N	-1	0	267.369	2.760	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000654968826	414043969	/nfs/dbraw/zinc/04/39/69/414043969.db2.gz	MVKSWCIFORABDN-MRVPVSSYSA-N	-1	0	262.290	2.543	20	30		CFEDRM
N#Cc1ccc(OCCOc2ccccc2C(=O)[O-])cc1	ZINC000037207150	173028743	/nfs/dbraw/zinc/02/87/43/173028743.db2.gz	INPSSWQJGAWUAF-UHFFFAOYSA-N	-1	0	283.283	2.714	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665309013	414275037	/nfs/dbraw/zinc/27/50/37/414275037.db2.gz	KAQOBRYUQBKWEZ-AAEUAGOBSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000659154592	414457277	/nfs/dbraw/zinc/45/72/77/414457277.db2.gz	RVJFHISUVFGTTR-AWEZNQCLSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=CCCCCCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659163310	414458666	/nfs/dbraw/zinc/45/86/66/414458666.db2.gz	RHEMWPJYHPQHFO-UHFFFAOYSA-N	-1	0	265.309	2.762	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])n1	ZINC000659166499	414459874	/nfs/dbraw/zinc/45/98/74/414459874.db2.gz	OLSVFALENABNAP-RYUDHWBXSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659167921	414460259	/nfs/dbraw/zinc/46/02/59/414460259.db2.gz	RSHMNJOOVANLPB-IGQOVBAYSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C2CCC(C(=O)[O-])CC2)C1	ZINC000659169938	414461899	/nfs/dbraw/zinc/46/18/99/414461899.db2.gz	MJDWUZUDYDPRFB-IYXRBSQSSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000659229945	414474454	/nfs/dbraw/zinc/47/44/54/414474454.db2.gz	XSBCKUBBHPQBGM-BETUJISGSA-N	-1	0	289.375	2.731	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000659236071	414476273	/nfs/dbraw/zinc/47/62/73/414476273.db2.gz	FCPJUDYQISIASF-WFASDCNBSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000659244203	414477677	/nfs/dbraw/zinc/47/76/77/414477677.db2.gz	XQDSSWKNWUUFEU-UHFFFAOYSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)NCCCCCC(=O)[O-])C1	ZINC000659407259	414516612	/nfs/dbraw/zinc/51/66/12/414516612.db2.gz	ZHGMNORLGAUUPK-CYBMUJFWSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)NCCCCC(=O)[O-]	ZINC000659407731	414517393	/nfs/dbraw/zinc/51/73/93/414517393.db2.gz	LMXILBGVTLGZAR-QWHCGFSZSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000663125858	414653968	/nfs/dbraw/zinc/65/39/68/414653968.db2.gz	TVFNNSZDXRIZSR-OLZOCXBDSA-N	-1	0	275.348	2.668	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000347103604	226050710	/nfs/dbraw/zinc/05/07/10/226050710.db2.gz	AARXAASQGITXMT-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2ccncn2)sc1C	ZINC000354474899	227009197	/nfs/dbraw/zinc/00/91/97/227009197.db2.gz	XCYGECGKMALNLJ-JTQLQIEISA-N	-1	0	257.318	2.645	20	30		CFEDRM
N#CC(=C([O-])c1cc2cc(Cl)ccn2n1)c1ccccn1	ZINC000355096336	227393679	/nfs/dbraw/zinc/39/36/79/227393679.db2.gz	JUKRTFUUGFBKCT-LBPRGKRZSA-N	-1	0	296.717	2.873	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc([O-])c(F)c1)CCOC2	ZINC001240786637	782031932	/nfs/dbraw/zinc/03/19/32/782031932.db2.gz	XXHRNQMVXWIBBF-UHFFFAOYSA-N	-1	0	270.263	2.538	20	30		CFEDRM
N#CCCCCNC(=O)c1ccc2ccccc2c1O	ZINC000070940493	260158548	/nfs/dbraw/zinc/15/85/48/260158548.db2.gz	DXVSZVPSWCYPQL-UHFFFAOYSA-N	-1	0	268.316	2.969	20	30		CFEDRM
CC1(C)[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H]2CCO[C@@H]21	ZINC000078052644	260298970	/nfs/dbraw/zinc/29/89/70/260298970.db2.gz	VMMWWPYKHJYCLS-JGWVDDTLSA-N	-1	0	290.319	2.533	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2nc(C)sc2C)s1	ZINC000443525243	260923786	/nfs/dbraw/zinc/92/37/86/260923786.db2.gz	YDOSDIAJRGTOJJ-UHFFFAOYSA-N	-1	0	298.462	2.924	20	30		CFEDRM
Cc1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)no1	ZINC000153504187	261079266	/nfs/dbraw/zinc/07/92/66/261079266.db2.gz	PLLJOELXDKSRDC-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
C=CCn1c(SCc2ccc(C)cc2C)n[n-]c1=N	ZINC000412998808	262751355	/nfs/dbraw/zinc/75/13/55/262751355.db2.gz	ZLDYOKULCREDBE-UHFFFAOYSA-N	-1	0	274.393	2.786	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCSC2)c1[O-]	ZINC000266328300	262915839	/nfs/dbraw/zinc/91/58/39/262915839.db2.gz	JLGPQLRDZDSEAY-ACJFOYDFSA-N	-1	0	286.740	2.878	20	30		CFEDRM
C[C@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271220092	262995145	/nfs/dbraw/zinc/99/51/45/262995145.db2.gz	OTBZZQSKLCUBBM-VUYMCDKNSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C[C@H]1C[C@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000273317532	263015462	/nfs/dbraw/zinc/01/54/62/263015462.db2.gz	FATZZXSRCGZLDS-AWOYWQDDSA-N	-1	0	292.335	2.925	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000285711219	263095103	/nfs/dbraw/zinc/09/51/03/263095103.db2.gz	DVPFAGIBFJLZER-GFCCVEGCSA-N	-1	0	297.698	2.832	20	30		CFEDRM
CCC(CC)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000292108865	263128533	/nfs/dbraw/zinc/12/85/33/263128533.db2.gz	QBKOPYATSPECJX-OQLLNIDSSA-N	-1	0	280.324	2.925	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000295593601	263180102	/nfs/dbraw/zinc/18/01/02/263180102.db2.gz	RPRVNKQLZAOWOG-ONGXEEELSA-N	-1	0	278.739	2.858	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(F)ccc1OC(F)F	ZINC000120300605	263283047	/nfs/dbraw/zinc/28/30/47/263283047.db2.gz	GYJVHBISTJRUMF-UHFFFAOYSA-N	-1	0	295.282	2.745	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCCC2(C)C)s[n-]1	ZINC000330809920	264044271	/nfs/dbraw/zinc/04/42/71/264044271.db2.gz	AHQNGZJGKYGDFR-SECBINFHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
CCC(CC)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000330817859	264046664	/nfs/dbraw/zinc/04/66/64/264046664.db2.gz	PEVRCEJLAJHRST-UHFFFAOYSA-N	-1	0	270.402	2.772	20	30		CFEDRM
CC(C)[C@@](C)(CO)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000331244610	264178684	/nfs/dbraw/zinc/17/86/84/264178684.db2.gz	SUOOELHIXABZJV-CYBMUJFWSA-N	-1	0	289.734	2.896	20	30		CFEDRM
CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCOCC1	ZINC000331245595	264178717	/nfs/dbraw/zinc/17/87/17/264178717.db2.gz	RLTHTBGPFHGUQK-UHFFFAOYSA-N	-1	0	294.307	2.564	20	30		CFEDRM
Cc1csc([C@@H](C#N)C(=O)c2cc(C(C)C)nn2C)n1	ZINC000080251882	264392230	/nfs/dbraw/zinc/39/22/30/264392230.db2.gz	YOZJNXQVHCHVOU-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1C	ZINC000080456500	264395470	/nfs/dbraw/zinc/39/54/70/264395470.db2.gz	NHKQXIYXNQTUTG-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000192844583	264606357	/nfs/dbraw/zinc/60/63/57/264606357.db2.gz	BTIGRYYYZPLABD-NSHDSACASA-N	-1	0	261.321	2.603	20	30		CFEDRM
C=CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000520411188	265806463	/nfs/dbraw/zinc/80/64/63/265806463.db2.gz	RRUSWTRUYXBUDN-UHFFFAOYSA-N	-1	0	296.710	2.744	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1	ZINC000361892710	266900090	/nfs/dbraw/zinc/90/00/90/266900090.db2.gz	WWMHXUAMFXIDDM-UHFFFAOYSA-N	-1	0	285.269	2.624	20	30		CFEDRM
CC(C)C[C@@H](CNc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000424372209	266906186	/nfs/dbraw/zinc/90/61/86/266906186.db2.gz	HOBRGMQBVJVGHR-JTQLQIEISA-N	-1	0	281.743	2.765	20	30		CFEDRM
CC(C)C[C@H](CNc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000424372212	266909268	/nfs/dbraw/zinc/90/92/68/266909268.db2.gz	HOBRGMQBVJVGHR-SNVBAGLBSA-N	-1	0	281.743	2.765	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362193162	266944178	/nfs/dbraw/zinc/94/41/78/266944178.db2.gz	UVMNJODKYXCDHY-VIFPVBQESA-N	-1	0	295.220	2.887	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cccc(CC#N)n2)c1	ZINC001243178745	782039237	/nfs/dbraw/zinc/03/92/37/782039237.db2.gz	OUXYUDDJGFAJEF-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(CC#N)ccn2)c1	ZINC001243179437	782039294	/nfs/dbraw/zinc/03/92/94/782039294.db2.gz	VQZAWCJKZYKMOY-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000263293299	277783284	/nfs/dbraw/zinc/78/32/84/277783284.db2.gz	RPGVTEBLVYPIQB-HUBLWGQQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000271499022	277789980	/nfs/dbraw/zinc/78/99/80/277789980.db2.gz	KUADHITWRRNFHC-CYBMUJFWSA-N	-1	0	294.307	2.610	20	30		CFEDRM
CC(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000026273654	280601907	/nfs/dbraw/zinc/60/19/07/280601907.db2.gz	BNYPJFYZSWHTST-UHFFFAOYSA-N	-1	0	279.303	2.529	20	30		CFEDRM
N#Cc1ccc2nc(N3CCC[C@@H](CC(=O)[O-])C3)ccc2c1	ZINC000561088016	282046800	/nfs/dbraw/zinc/04/68/00/282046800.db2.gz	RJGLSGGRSDJWPP-ZDUSSCGKSA-N	-1	0	295.342	2.798	20	30		CFEDRM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F	ZINC000157984877	289967496	/nfs/dbraw/zinc/96/74/96/289967496.db2.gz	DWIILDCZSPGXMX-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@@H]1C1CC1	ZINC000565836600	290329267	/nfs/dbraw/zinc/32/92/67/290329267.db2.gz	QYFDPALHNZPGGR-CHWSQXEVSA-N	-1	0	298.390	2.736	20	30		CFEDRM
Cc1ccc(-c2cc(CC#N)ccn2)cc1C(=O)[O-]	ZINC001243193415	782054384	/nfs/dbraw/zinc/05/43/84/782054384.db2.gz	FMVBSNNDFBUHGE-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1ccc(-c2cc(CC#N)cnc2F)cc1C(=O)[O-]	ZINC001243196470	782058068	/nfs/dbraw/zinc/05/80/68/782058068.db2.gz	IBPBEQRACBUKQQ-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243196776	782057786	/nfs/dbraw/zinc/05/77/86/782057786.db2.gz	XQRAELFPCXJCBV-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)cn1	ZINC001243200671	782060766	/nfs/dbraw/zinc/06/07/66/782060766.db2.gz	CQJJUEZPASMVEY-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1ncc(-c2ccc(C(=O)[O-])cc2C)cc1C#N	ZINC001243203932	782064810	/nfs/dbraw/zinc/06/48/10/782064810.db2.gz	SFVUCRHMSZWRGP-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2ccc(C(=O)[O-])c(C)c2)ncc1C#N	ZINC001243210376	782070375	/nfs/dbraw/zinc/07/03/75/782070375.db2.gz	FGHXMBHPAFGIGU-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(-c2ncc(C#N)cc2F)ccc1C(=O)[O-]	ZINC001243211387	782072258	/nfs/dbraw/zinc/07/22/58/782072258.db2.gz	GUTOGCVAARZIPN-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CC(C)O[C@H]1C[C@H](/N=C/c2ccc(O)c(O)c2O)C1(C)C	ZINC000274200831	328209495	/nfs/dbraw/zinc/20/94/95/328209495.db2.gz	MXBXJANOLJPTKJ-PUBDWJACSA-N	-1	0	293.363	2.814	20	30		CFEDRM
Cc1cccc(F)c1S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C	ZINC000274774864	328213502	/nfs/dbraw/zinc/21/35/02/328213502.db2.gz	WCOXOEXSEBHVAO-AWEZNQCLSA-N	-1	0	298.383	2.741	20	30		CFEDRM
C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@H]1C(=O)[O-]	ZINC000575802123	322729730	/nfs/dbraw/zinc/72/97/30/322729730.db2.gz	DOHLNNZFIVROMG-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CC(C)Oc1ccc(NC(=O)c2cncc([O-])c2)cc1C#N	ZINC000179115526	323734322	/nfs/dbraw/zinc/73/43/22/323734322.db2.gz	RDSTWRYOIDFLNU-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
N#Cc1ccc2nc(NC3CCC(C(=O)[O-])CC3)ccc2c1	ZINC000583251892	325271631	/nfs/dbraw/zinc/27/16/31/325271631.db2.gz	WBJGTVHNMGNHFX-UHFFFAOYSA-N	-1	0	295.342	2.584	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000262865490	330035777	/nfs/dbraw/zinc/03/57/77/330035777.db2.gz	JDPBITUMOKPIJT-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCC1CCCCC1)C(=O)[O-]	ZINC000262873499	326962257	/nfs/dbraw/zinc/96/22/57/326962257.db2.gz	JWLMHCKXRNRJLH-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000263037949	326988367	/nfs/dbraw/zinc/98/83/67/326988367.db2.gz	ZJANRZPYPAEBKM-CQSZACIVSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000576530189	327034410	/nfs/dbraw/zinc/03/44/10/327034410.db2.gz	QVJJWXUMVNQROR-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000393763103	329089509	/nfs/dbraw/zinc/08/95/09/329089509.db2.gz	PHGREYYJYGFNED-RFGFWPKPSA-N	-1	0	294.395	2.768	20	30		CFEDRM
C=CCNC(=O)c1cc(Cl)cc(Br)c1[O-]	ZINC000176958474	329179403	/nfs/dbraw/zinc/17/94/03/329179403.db2.gz	LBNZQUXNSJKNFB-UHFFFAOYSA-N	-1	0	290.544	2.724	20	30		CFEDRM
CCCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000181532365	329234084	/nfs/dbraw/zinc/23/40/84/329234084.db2.gz	CZGDOHHUHWCQMK-LBPRGKRZSA-N	-1	0	294.314	2.924	20	30		CFEDRM
O=C1c2ccc(O)cc2O/C1=C\c1ccc([N+](=O)[O-])c([O-])c1	ZINC000129534909	329618582	/nfs/dbraw/zinc/61/85/82/329618582.db2.gz	FPCQSDYPOXGHSA-NSIKDUERSA-N	-1	0	299.238	2.622	20	30		CFEDRM
C=CCCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F	ZINC000238139099	329695472	/nfs/dbraw/zinc/69/54/72/329695472.db2.gz	CMZDFAFZIADPLP-UHFFFAOYSA-N	-1	0	297.301	2.734	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)NC1(C(=O)[O-])CCC(CC)CC1	ZINC000262211154	330004059	/nfs/dbraw/zinc/00/40/59/330004059.db2.gz	RZTVDPMVBWJJBQ-VEAWUBTESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#CCN(C(=O)Cc1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000262212296	330004074	/nfs/dbraw/zinc/00/40/74/330004074.db2.gz	UIMUVXOEECDKCA-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000262810003	330033196	/nfs/dbraw/zinc/03/31/96/330033196.db2.gz	DHGHZDZXPOYGRR-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000262898620	330036296	/nfs/dbraw/zinc/03/62/96/330036296.db2.gz	MAXSVHOUQIPJGR-OCCSQVGLSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000262905579	330036692	/nfs/dbraw/zinc/03/66/92/330036692.db2.gz	MSFDHTNQEHMECD-GWCFXTLKSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000262905583	330036712	/nfs/dbraw/zinc/03/67/12/330036712.db2.gz	MSFDHTNQEHMECD-MFKMUULPSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000262927442	330037207	/nfs/dbraw/zinc/03/72/07/330037207.db2.gz	OPEWQAHREDCPHM-OAHLLOKOSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000262988667	330038206	/nfs/dbraw/zinc/03/82/06/330038206.db2.gz	SEVVPIUSPLTSHT-HIFRSBDPSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C=C)c1ccccc1)C(=O)[O-]	ZINC000263042291	330040422	/nfs/dbraw/zinc/04/04/22/330040422.db2.gz	ZSVAHFWCOVSHJT-HIFRSBDPSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccccc1	ZINC000263137514	330045370	/nfs/dbraw/zinc/04/53/70/330045370.db2.gz	HXHGGUPPRMZKRB-NFAWXSAZSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1	ZINC000263193951	330048624	/nfs/dbraw/zinc/04/86/24/330048624.db2.gz	TZMMABPZZIQIFM-HNNXBMFYSA-N	-1	0	289.375	2.935	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC000263221535	330049596	/nfs/dbraw/zinc/04/95/96/330049596.db2.gz	QUEKQNJJBFTDRH-BZNIZROVSA-N	-1	0	293.338	2.844	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(C(F)F)c1)C(=O)[O-]	ZINC000263509867	330058366	/nfs/dbraw/zinc/05/83/66/330058366.db2.gz	CALZGWPNYISJKX-LLVKDONJSA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=CCC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCC1	ZINC000263542574	330059052	/nfs/dbraw/zinc/05/90/52/330059052.db2.gz	RQGOXFUIKOXHCR-HNNXBMFYSA-N	-1	0	299.370	2.943	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(F)c(SC)c1)C(=O)[O-]	ZINC000263533753	330059111	/nfs/dbraw/zinc/05/91/11/330059111.db2.gz	NPWKWTJABBIPPB-LLVKDONJSA-N	-1	0	297.351	2.697	20	30		CFEDRM
C=CC[C@H](CC)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000572409121	330062402	/nfs/dbraw/zinc/06/24/02/330062402.db2.gz	ZNMXOAXRVGRHMS-VIFPVBQESA-N	-1	0	279.296	2.763	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCOCC1	ZINC000424222270	330330070	/nfs/dbraw/zinc/33/00/70/330330070.db2.gz	DTJDRVADHCSHCT-UHFFFAOYSA-N	-1	0	289.331	2.696	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000439940237	330744940	/nfs/dbraw/zinc/74/49/40/330744940.db2.gz	LFEMCKUKVYFQSK-ZFWWWQNUSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(SCC)cc1)C(=O)[O-]	ZINC000448994649	330890417	/nfs/dbraw/zinc/89/04/17/330890417.db2.gz	ORSKKQQUQVNZSO-CYBMUJFWSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCC1(CN=c2[n-]c(COC)ns2)CCCC1	ZINC000450845243	331002449	/nfs/dbraw/zinc/00/24/49/331002449.db2.gz	MQFDIIIPLSZCCZ-UHFFFAOYSA-N	-1	0	267.398	2.655	20	30		CFEDRM
Cn1cncc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1	ZINC000453780937	331138189	/nfs/dbraw/zinc/13/81/89/331138189.db2.gz	QHFMIBCTGQIPCR-SECBINFHSA-N	-1	0	288.376	2.664	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F	ZINC000489830289	332069546	/nfs/dbraw/zinc/06/95/46/332069546.db2.gz	KDKFQKQCHQSFAM-NXEZZACHSA-N	-1	0	287.347	2.849	20	30		CFEDRM
C=CCN(CC=C)C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000492132575	332383926	/nfs/dbraw/zinc/38/39/26/332383926.db2.gz	HAVZAVXSOSVVLP-YFHOEESVSA-N	-1	0	271.316	2.599	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F	ZINC000189802567	333199346	/nfs/dbraw/zinc/19/93/46/333199346.db2.gz	LILARHAFIPFHHO-VIFPVBQESA-N	-1	0	287.347	2.849	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)ccc1Cl	ZINC000231820435	333330155	/nfs/dbraw/zinc/33/01/55/333330155.db2.gz	UUWGVHAZGHKWAT-MRVPVSSYSA-N	-1	0	276.720	2.523	20	30		CFEDRM
N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1ccncn1	ZINC000546153732	334016741	/nfs/dbraw/zinc/01/67/41/334016741.db2.gz	TUKWWNCCTTZCDO-GFCCVEGCSA-N	-1	0	295.346	2.737	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)co1	ZINC000547491016	334093682	/nfs/dbraw/zinc/09/36/82/334093682.db2.gz	OVKQWYOMOIVDQU-SNVBAGLBSA-N	-1	0	294.314	2.912	20	30		CFEDRM
Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000552243736	334307707	/nfs/dbraw/zinc/30/77/07/334307707.db2.gz	IQMKSBMVZOYNGR-GFCCVEGCSA-N	-1	0	296.330	2.757	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000262880611	334576368	/nfs/dbraw/zinc/57/63/68/334576368.db2.gz	KMZKSDFKJWXQMW-LBPRGKRZSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000316431672	334821165	/nfs/dbraw/zinc/82/11/65/334821165.db2.gz	JKGOAIKUNWIOJO-XQQFMLRXSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCOCCCN1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000576479295	335210093	/nfs/dbraw/zinc/21/00/93/335210093.db2.gz	FEWROWYFNGXWOZ-CQSZACIVSA-N	-1	0	275.348	2.658	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1ccc([O-])c(F)c1F	ZINC001243339575	782143825	/nfs/dbraw/zinc/14/38/25/782143825.db2.gz	LPUPZRNNUJAXRP-UHFFFAOYSA-N	-1	0	290.269	2.648	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2ccc([O-])c(F)c2F)nc1	ZINC001243340081	782144696	/nfs/dbraw/zinc/14/46/96/782144696.db2.gz	QFXWXNCRXPMUAX-UHFFFAOYSA-N	-1	0	290.269	2.648	20	30		CFEDRM
Cc1noc(C2CC2)c1NC(=O)c1ncc(C)cc1[O-]	ZINC000330289230	534386523	/nfs/dbraw/zinc/38/65/23/534386523.db2.gz	BWJDBWHPDCOVDZ-UHFFFAOYSA-N	-1	0	273.292	2.906	20	30		CFEDRM
CC(C)(CCNc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000311517573	519217192	/nfs/dbraw/zinc/21/71/92/519217192.db2.gz	DISKZSQFXPQWOB-UHFFFAOYSA-N	-1	0	268.263	2.749	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000262945866	534513947	/nfs/dbraw/zinc/51/39/47/534513947.db2.gz	MARDPPLJOQJQSF-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]2C2CCCCC2)O1	ZINC000330359179	534523236	/nfs/dbraw/zinc/52/32/36/534523236.db2.gz	VSVPAOLVNMBYIZ-LOWDOPEQSA-N	-1	0	281.352	2.544	20	30		CFEDRM
Cc1ccc2snc(C([O-])=C(C#N)c3ccncn3)c2c1	ZINC000345997091	534547140	/nfs/dbraw/zinc/54/71/40/534547140.db2.gz	SNVOGURHPLKNHF-NSHDSACASA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCC1(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)CCC1	ZINC000263216534	534581127	/nfs/dbraw/zinc/58/11/27/534581127.db2.gz	XOSZQQVQJIAFIZ-UHFFFAOYSA-N	-1	0	291.347	2.991	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000263220622	534673798	/nfs/dbraw/zinc/67/37/98/534673798.db2.gz	QOWAOSHVOMTFMI-HIFRSBDPSA-N	-1	0	289.375	2.963	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F	ZINC000230333587	525299209	/nfs/dbraw/zinc/29/92/09/525299209.db2.gz	YQILFOTXUYCICC-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(C#N)cc1Br	ZINC000169184328	526252788	/nfs/dbraw/zinc/25/27/88/526252788.db2.gz	ZBBDTAANSAVTBE-SSDOTTSWSA-N	-1	0	283.125	2.596	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC000192848181	526699984	/nfs/dbraw/zinc/69/99/84/526699984.db2.gz	BBWDWDDHLNTIPI-LLVKDONJSA-N	-1	0	291.347	2.612	20	30		CFEDRM
C=CCn1c(SCCCCOC(C)(C)C)n[n-]c1=N	ZINC000352562545	527338968	/nfs/dbraw/zinc/33/89/68/527338968.db2.gz	KGZFBQVVSAQJGM-UHFFFAOYSA-N	-1	0	284.429	2.564	20	30		CFEDRM
CCC(CC)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C	ZINC000354482242	528909862	/nfs/dbraw/zinc/90/98/62/528909862.db2.gz	ZJGDZHOYMZMJNM-CYBMUJFWSA-N	-1	0	297.362	2.833	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)c1	ZINC000935106368	649875848	/nfs/dbraw/zinc/87/58/48/649875848.db2.gz	DCJGHOYIEZMFTO-SWLSCSKDSA-N	-1	0	286.331	2.550	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc2cc(F)ccc2s1	ZINC000744114692	574054679	/nfs/dbraw/zinc/05/46/79/574054679.db2.gz	BVTHIRNRTQCUHD-JTQLQIEISA-N	-1	0	288.303	2.916	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCc1ccc(OCC#N)cc1	ZINC000736553543	574059829	/nfs/dbraw/zinc/05/98/29/574059829.db2.gz	YTKQWSDTWHHBEK-SNVBAGLBSA-N	-1	0	265.334	2.685	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCCOc1ccccc1C#N	ZINC000736552798	574059880	/nfs/dbraw/zinc/05/98/80/574059880.db2.gz	RCPILMKRTSQQQN-SNVBAGLBSA-N	-1	0	265.334	2.533	20	30		CFEDRM
C[C@@H]1C[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000727685179	574060456	/nfs/dbraw/zinc/06/04/56/574060456.db2.gz	CLHMMZCEQLHSOC-VQYTYZLKSA-N	-1	0	254.673	2.781	20	30		CFEDRM
C[C@@H](C/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736583787	574061595	/nfs/dbraw/zinc/06/15/95/574061595.db2.gz	BRGCHCGTVLHMEL-XBTXGSBDSA-N	-1	0	257.289	2.685	20	30		CFEDRM
COc1cc(C#N)ccc1OCCS[C@H](C)CC(=O)[O-]	ZINC000737844034	574079329	/nfs/dbraw/zinc/07/93/29/574079329.db2.gz	FSYPFMFFSOAAQC-SNVBAGLBSA-N	-1	0	295.360	2.542	20	30		CFEDRM
COC(=O)[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000730546280	574087016	/nfs/dbraw/zinc/08/70/16/574087016.db2.gz	BNFZTKJOSZTKDG-DGKIVPNZSA-N	-1	0	276.119	2.679	20	30		CFEDRM
CC/C=C(/C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736947742	574087398	/nfs/dbraw/zinc/08/73/98/574087398.db2.gz	DSTWCFSAEWQHRZ-FSIMMPEJSA-N	-1	0	273.288	2.583	20	30		CFEDRM
CCC/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736960052	574088008	/nfs/dbraw/zinc/08/80/08/574088008.db2.gz	UQBBJXFEOVFYKN-SLZMIMFISA-N	-1	0	287.315	2.974	20	30		CFEDRM
CCC/C=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736975038	574089388	/nfs/dbraw/zinc/08/93/88/574089388.db2.gz	PQWIFJGOJQRUBK-ISZGNANSSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1	ZINC000738488285	574090885	/nfs/dbraw/zinc/09/08/85/574090885.db2.gz	HYZFEMPTUNOOQD-UHFFFAOYSA-N	-1	0	292.310	2.954	20	30		CFEDRM
C=CCCC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738488041	574091006	/nfs/dbraw/zinc/09/10/06/574091006.db2.gz	GJEYBQPYEQVEPB-UHFFFAOYSA-N	-1	0	252.245	2.820	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2cocn2)c1[O-]	ZINC000730732704	574094578	/nfs/dbraw/zinc/09/45/78/574094578.db2.gz	NNGDGTKRYAVKMZ-DXNYSGJVSA-N	-1	0	281.655	2.561	20	30		CFEDRM
C=CCCCOC(=O)[C@H](NC(=O)[O-])c1ccccc1	ZINC000738493415	574095631	/nfs/dbraw/zinc/09/56/31/574095631.db2.gz	NGRQRWMPOCAXOR-GFCCVEGCSA-N	-1	0	263.293	2.505	20	30		CFEDRM
CCN(Cc1ccc(F)cc1C(=O)[O-])C[C@@H](C)C#N	ZINC000737106999	574112872	/nfs/dbraw/zinc/11/28/72/574112872.db2.gz	ZYVLHBWVAHDZFL-JTQLQIEISA-N	-1	0	264.300	2.505	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)c(F)c(C)c1	ZINC000741461718	574119979	/nfs/dbraw/zinc/11/99/79/574119979.db2.gz	PNWJJUREKXHKLU-UHFFFAOYSA-N	-1	0	298.325	2.945	20	30		CFEDRM
CCc1cc(C#N)c(NC(=O)CCCN(C)C(=O)[O-])s1	ZINC000737250315	574121453	/nfs/dbraw/zinc/12/14/53/574121453.db2.gz	BSJFWUCJGQMPJI-UHFFFAOYSA-N	-1	0	295.364	2.511	20	30		CFEDRM
CN(C(=O)c1cccc(CC#N)c1)c1ccccc1C(=O)[O-]	ZINC000737340911	574136583	/nfs/dbraw/zinc/13/65/83/574136583.db2.gz	NQTAHWJXWDHFMN-UHFFFAOYSA-N	-1	0	294.310	2.727	20	30		CFEDRM
CN(CCC#N)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000737412016	574139191	/nfs/dbraw/zinc/13/91/91/574139191.db2.gz	HESKSSOLGADIFM-LLVKDONJSA-N	-1	0	287.146	2.965	20	30		CFEDRM
CN(CCCC(=O)Nc1ccc(Cl)c(C#N)c1)C(=O)[O-]	ZINC000737429051	574140227	/nfs/dbraw/zinc/14/02/27/574140227.db2.gz	AOUASNUUNWURJD-UHFFFAOYSA-N	-1	0	295.726	2.540	20	30		CFEDRM
CN(Cc1cc(C#N)ccc1F)[C@H](C(=O)[O-])c1ccccc1	ZINC000737454357	574142480	/nfs/dbraw/zinc/14/24/80/574142480.db2.gz	MYXAJSZVMCEPKQ-INIZCTEOSA-N	-1	0	298.317	2.955	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1	ZINC000737527020	574145914	/nfs/dbraw/zinc/14/59/14/574145914.db2.gz	RGXMKTUYQGBYSL-UHFFFAOYSA-N	-1	0	288.347	2.744	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000732529911	574160451	/nfs/dbraw/zinc/16/04/51/574160451.db2.gz	BXGKVEGMYHBJCZ-ONEGZZNKSA-N	-1	0	276.317	2.559	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NCCCCOc2ccccc2)n1	ZINC000755455606	574163172	/nfs/dbraw/zinc/16/31/72/574163172.db2.gz	PBCBOICXPPGSRE-UHFFFAOYSA-N	-1	0	286.335	2.748	20	30		CFEDRM
N#Cc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000755473108	574164084	/nfs/dbraw/zinc/16/40/84/574164084.db2.gz	UCMISJWZRXCTID-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NC1CCN(C(=O)[O-])CC1	ZINC000738432704	574169160	/nfs/dbraw/zinc/16/91/60/574169160.db2.gz	PLYIGMJPVFHLJA-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
Cc1cc(NC(=O)c2sccc2C#N)sc1C(=O)[O-]	ZINC000738452786	574169714	/nfs/dbraw/zinc/16/97/14/574169714.db2.gz	SESUQAOIPAUKIE-UHFFFAOYSA-N	-1	0	292.341	2.940	20	30		CFEDRM
C#CC(C)(C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738457451	574170117	/nfs/dbraw/zinc/17/01/17/574170117.db2.gz	OBNVBIAJXHJGKR-UHFFFAOYSA-N	-1	0	280.711	2.572	20	30		CFEDRM
C=C(C)COC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738485596	574170767	/nfs/dbraw/zinc/17/07/67/574170767.db2.gz	MIVVULRPMZUARE-LLVKDONJSA-N	-1	0	283.711	2.768	20	30		CFEDRM
CC(=O)Nc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000755600651	574170790	/nfs/dbraw/zinc/17/07/90/574170790.db2.gz	JPIRZZDDUQIFHZ-UHFFFAOYSA-N	-1	0	297.314	2.789	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(CNC(=O)[O-])c1)C(C)C	ZINC000738489228	574170968	/nfs/dbraw/zinc/17/09/68/574170968.db2.gz	AWCUWWNYPDTHFA-UHFFFAOYSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738488862	574171043	/nfs/dbraw/zinc/17/10/43/574171043.db2.gz	OCOMWIUFTWUFRB-BXKDBHETSA-N	-1	0	296.754	2.730	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H](CCC)NC(=O)[O-])c1	ZINC000738504808	574171995	/nfs/dbraw/zinc/17/19/95/574171995.db2.gz	BUDGSYYCEWPWRZ-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
Cc1ccc([C@H](CNc2ncccc2C#N)C(=O)[O-])cc1	ZINC000738569880	574173842	/nfs/dbraw/zinc/17/38/42/574173842.db2.gz	VHSACPFGLNQUNB-AWEZNQCLSA-N	-1	0	281.315	2.542	20	30		CFEDRM
C[C@H](CCNc1ccc(Cl)cc1C#N)NC(=O)[O-]	ZINC000738903983	574190150	/nfs/dbraw/zinc/19/01/50/574190150.db2.gz	HZAFWPMBWUJKCJ-MRVPVSSYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)/C=C\c2ccco2)C(=O)[O-])cc1	ZINC000739107285	574198867	/nfs/dbraw/zinc/19/88/67/574198867.db2.gz	AIFNKOCDTGIQRW-LZNQSLFOSA-N	-1	0	297.266	2.534	20	30		CFEDRM
N#Cc1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739120873	574199188	/nfs/dbraw/zinc/19/91/88/574199188.db2.gz	FNLXWVFYHPECSA-UHFFFAOYSA-N	-1	0	282.255	2.867	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)[C@@H]2CC=CCC2)C(=O)[O-])cc1	ZINC000739110085	574199197	/nfs/dbraw/zinc/19/91/97/574199197.db2.gz	OMTSJMHBKXZMMD-KGLIPLIRSA-N	-1	0	285.299	2.583	20	30		CFEDRM
N#Cc1ccc(COc2ccc(C(=O)[O-])cc2C=O)cc1	ZINC000739117758	574199253	/nfs/dbraw/zinc/19/92/53/574199253.db2.gz	IRWIVFMKMXGDOR-UHFFFAOYSA-N	-1	0	281.267	2.648	20	30		CFEDRM
CCOc1cccc(/C=N/C[C@@H](NC(=O)[O-])C(C)C)c1O	ZINC000739504940	574215765	/nfs/dbraw/zinc/21/57/65/574215765.db2.gz	OPVYNHVGXPQLRN-GGNJANJASA-N	-1	0	294.351	2.502	20	30		CFEDRM
O=C([O-])C[C@H](/N=C/c1cccc(O)c1O)c1ccccc1	ZINC000739624461	574220686	/nfs/dbraw/zinc/22/06/86/574220686.db2.gz	KIBHCEXPRSIMMT-VZWMTCDZSA-N	-1	0	285.299	2.733	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000748147896	574232676	/nfs/dbraw/zinc/23/26/76/574232676.db2.gz	QAPFWTGJOXMDRD-HWKANZROSA-N	-1	0	290.300	2.961	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NCCCN(C(=O)[O-])C2CC2)n1	ZINC000740062557	574233946	/nfs/dbraw/zinc/23/39/46/574233946.db2.gz	DHSYAWWCIBLENX-UHFFFAOYSA-N	-1	0	288.351	2.515	20	30		CFEDRM
O=C([O-])c1ccc(O)c(CN=Nc2ncccc2Cl)c1	ZINC000740161445	574240590	/nfs/dbraw/zinc/24/05/90/574240590.db2.gz	RPDBMBMLPZAFBQ-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(CN=Nc3ccccn3)c2c1	ZINC000740191295	574242010	/nfs/dbraw/zinc/24/20/10/574242010.db2.gz	YVXLUANHYHIGOJ-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1	ZINC000741760428	574245327	/nfs/dbraw/zinc/24/53/27/574245327.db2.gz	YUXJBTNTLGYXTQ-VIFPVBQESA-N	-1	0	282.727	2.863	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2cnc3ccccc3n2)CC1	ZINC000740551219	574255413	/nfs/dbraw/zinc/25/54/13/574255413.db2.gz	PFJRTJINOOPFBA-UHFFFAOYSA-N	-1	0	299.334	2.608	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1csc(C)n1	ZINC000756901278	574271353	/nfs/dbraw/zinc/27/13/53/574271353.db2.gz	NHOZIOBRYUMSKV-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCc1ccccc1	ZINC000756901455	574271401	/nfs/dbraw/zinc/27/14/01/574271401.db2.gz	QNEPXTGHIHPCAN-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
CC(C)CON=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000749626710	574303153	/nfs/dbraw/zinc/30/31/53/574303153.db2.gz	UGZOBHXRUFUXAM-LLVKDONJSA-N	-1	0	265.309	2.545	20	30		CFEDRM
O=C([O-])c1ccc(C=Nn2cnc3ccccc32)cc1	ZINC000725849595	574330449	/nfs/dbraw/zinc/33/04/49/574330449.db2.gz	NJVOBEFXQWWVQH-UHFFFAOYSA-N	-1	0	265.272	2.617	20	30		CFEDRM
[O-]c1c(F)cc(C=NO[C@@H]2CCCCO2)cc1F	ZINC000755822841	574350020	/nfs/dbraw/zinc/35/00/20/574350020.db2.gz	VOLSGTNBZHNRBZ-LLVKDONJSA-N	-1	0	257.236	2.548	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2ccoc2C(=O)[O-])c1	ZINC000736091625	574350795	/nfs/dbraw/zinc/35/07/95/574350795.db2.gz	ZWPTVRKSHQTLCH-UHFFFAOYSA-N	-1	0	255.273	2.596	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000736096385	574351051	/nfs/dbraw/zinc/35/10/51/574351051.db2.gz	MTWWKVHQRWWWAO-SECBINFHSA-N	-1	0	263.297	2.863	20	30		CFEDRM
C=CC[C@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000736096465	574351144	/nfs/dbraw/zinc/35/11/44/574351144.db2.gz	NHVCBUSFZLPGDI-NSHDSACASA-N	-1	0	291.351	2.583	20	30		CFEDRM
C=CCn1c(C)nnc1S[C@H](CCCC)C(=O)[O-]	ZINC000736116919	574351583	/nfs/dbraw/zinc/35/15/83/574351583.db2.gz	FCYNXUZYZCTKFS-SNVBAGLBSA-N	-1	0	269.370	2.508	20	30		CFEDRM
C=CCc1ccccc1OC(=O)CCSCC(=O)[O-]	ZINC000736113821	574351645	/nfs/dbraw/zinc/35/16/45/574351645.db2.gz	BASABUYRSYRJAC-UHFFFAOYSA-N	-1	0	280.345	2.528	20	30		CFEDRM
C=CCn1c(C)nnc1S[C@@H](CCCC)C(=O)[O-]	ZINC000736116918	574351653	/nfs/dbraw/zinc/35/16/53/574351653.db2.gz	FCYNXUZYZCTKFS-JTQLQIEISA-N	-1	0	269.370	2.508	20	30		CFEDRM
N#Cc1cc(F)ccc1COC(=O)c1ccccc1C(=O)[O-]	ZINC000739098931	574356950	/nfs/dbraw/zinc/35/69/50/574356950.db2.gz	LXSRGBHFWXTZEF-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CC=CCC2)C(=O)[O-])cc1	ZINC000739110088	574359488	/nfs/dbraw/zinc/35/94/88/574359488.db2.gz	OMTSJMHBKXZMMD-ZIAGYGMSSA-N	-1	0	285.299	2.583	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)[O-])cc1	ZINC000739116448	574360406	/nfs/dbraw/zinc/36/04/06/574360406.db2.gz	AADHRDGGEFKFDQ-GFCCVEGCSA-N	-1	0	287.296	2.602	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000739133146	574362564	/nfs/dbraw/zinc/36/25/64/574362564.db2.gz	DLBUBDRINMBSAU-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
COCc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000743431338	574364166	/nfs/dbraw/zinc/36/41/66/574364166.db2.gz	WVUGPCXRHIYXSR-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C23CCC(CC2)C3)c1	ZINC000752679417	574393595	/nfs/dbraw/zinc/39/35/95/574393595.db2.gz	KGXFZSICMGTXAL-UHFFFAOYSA-N	-1	0	256.305	2.783	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000753711268	574408549	/nfs/dbraw/zinc/40/85/49/574408549.db2.gz	HYNJWEPOMOQHEF-ARJAWSKDSA-N	-1	0	276.317	2.559	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000753716850	574408629	/nfs/dbraw/zinc/40/86/29/574408629.db2.gz	HFVBTFNDNAPGMR-ARJAWSKDSA-N	-1	0	278.258	2.783	20	30		CFEDRM
C=CCC(CC=C)C(=O)OCc1ccoc1C(=O)[O-]	ZINC000825664820	602283325	/nfs/dbraw/zinc/28/33/25/602283325.db2.gz	MRTPXIVSSZXTHO-UHFFFAOYSA-N	-1	0	264.277	2.789	20	30		CFEDRM
CCOc1cccc(/C=N/[C@H](CC(C)C)C(=O)[O-])c1O	ZINC000818251183	597016167	/nfs/dbraw/zinc/01/61/67/597016167.db2.gz	RQPCLKFZDODKOL-GFQQVXNGSA-N	-1	0	279.336	2.709	20	30		CFEDRM
N#Cc1c(Cl)nsc1NCc1ccc(C(=O)[O-])cc1	ZINC000794401559	597140388	/nfs/dbraw/zinc/14/03/88/597140388.db2.gz	ONYBJSRTTDNMSG-UHFFFAOYSA-N	-1	0	293.735	2.978	20	30		CFEDRM
C=CCN(C(=O)Nc1cccc(CC(=O)[O-])c1)C(C)C	ZINC000162367842	597182599	/nfs/dbraw/zinc/18/25/99/597182599.db2.gz	NZVHIGSXJYLNSU-UHFFFAOYSA-N	-1	0	276.336	2.742	20	30		CFEDRM
CC(C)(C#N)CCC[S@@](=O)Cc1ccc(C(=O)[O-])cc1	ZINC000817791219	597287443	/nfs/dbraw/zinc/28/74/43/597287443.db2.gz	ANRVYQIUICHHMC-HXUWFJFHSA-N	-1	0	293.388	2.963	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CC(=O)[O-])c2)s1	ZINC000819100661	597492768	/nfs/dbraw/zinc/49/27/68/597492768.db2.gz	YGAPCJNGFRGXPF-UHFFFAOYSA-N	-1	0	272.329	2.859	20	30		CFEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000820161245	597606561	/nfs/dbraw/zinc/60/65/61/597606561.db2.gz	NHERMNJQHCUICZ-XLKFXECMSA-N	-1	0	297.257	2.574	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)cc1Cl	ZINC000819873393	597620966	/nfs/dbraw/zinc/62/09/66/597620966.db2.gz	BEFNZIOOMOSOLB-CYBMUJFWSA-N	-1	0	299.685	2.527	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCCC1CCCCC1	ZINC000819865727	597621020	/nfs/dbraw/zinc/62/10/20/597621020.db2.gz	OATJLIYBCMHTGM-CQSZACIVSA-N	-1	0	267.325	2.505	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(F)cc1Cl	ZINC000819873400	597621035	/nfs/dbraw/zinc/62/10/35/597621035.db2.gz	BEFNZIOOMOSOLB-ZDUSSCGKSA-N	-1	0	299.685	2.527	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccc[nH]2)cc1	ZINC000819847078	597662841	/nfs/dbraw/zinc/66/28/41/597662841.db2.gz	JTVYVKPKYHGGDT-MRXNPFEDSA-N	-1	0	297.314	2.625	20	30		CFEDRM
O=C([O-])CCNN=C1CCC(c2ccccc2)CC1	ZINC000821524913	597740711	/nfs/dbraw/zinc/74/07/11/597740711.db2.gz	JOWNOEFAZGOCHB-UHFFFAOYSA-N	-1	0	260.337	2.765	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ncccc2Cl)CC1	ZINC000814810466	598097312	/nfs/dbraw/zinc/09/73/12/598097312.db2.gz	NLSNBCYKFZLILJ-UHFFFAOYSA-N	-1	0	267.716	2.778	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1snc(Cl)c1C#N	ZINC000819948410	598159988	/nfs/dbraw/zinc/15/99/88/598159988.db2.gz	UPYVFIQSRBOKNW-UHFFFAOYSA-N	-1	0	273.745	2.723	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2ccncc2)c1	ZINC000126276688	598201263	/nfs/dbraw/zinc/20/12/63/598201263.db2.gz	VKLPYMZTDZKFGK-SNAWJCMRSA-N	-1	0	253.257	2.676	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cccnc2)c1	ZINC000774106809	598201337	/nfs/dbraw/zinc/20/13/37/598201337.db2.gz	SCIBBZFBLOMGHN-SREVYHEPSA-N	-1	0	253.257	2.676	20	30		CFEDRM
COc1ccc(CNN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814811192	598201362	/nfs/dbraw/zinc/20/13/62/598201362.db2.gz	UTBVTXWYGMKGGR-UHFFFAOYSA-N	-1	0	284.315	2.517	20	30		CFEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(Cl)cc1	ZINC000820113963	598222381	/nfs/dbraw/zinc/22/23/81/598222381.db2.gz	JFZXFOIIMKUKST-LKFCYVNXSA-N	-1	0	294.738	2.522	20	30		CFEDRM
C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1	ZINC000820114843	598222479	/nfs/dbraw/zinc/22/24/79/598222479.db2.gz	QXSUELCHXGZOIE-YMTOWFKASA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1ccc(Cl)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821078918	598230593	/nfs/dbraw/zinc/23/05/93/598230593.db2.gz	CNLGVQYFYQJRKW-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
CC(C)C1CCC(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819962624	598230892	/nfs/dbraw/zinc/23/08/92/598230892.db2.gz	QVAFJWBTCRTPPL-ZUEPYMLJSA-N	-1	0	294.395	2.570	20	30		CFEDRM
Cc1cc(C#N)ccc1OCc1occc1C(=O)[O-]	ZINC000738313107	599993887	/nfs/dbraw/zinc/99/38/87/599993887.db2.gz	GAGIDSNHXZTMEF-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
N#Cc1ccccc1CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000058011995	600080378	/nfs/dbraw/zinc/08/03/78/600080378.db2.gz	NYXVPMFWDPAFTP-UHFFFAOYSA-N	-1	0	278.311	2.772	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000163177805	600269699	/nfs/dbraw/zinc/26/96/99/600269699.db2.gz	VSNHTZWWVBADIT-MRVPVSSYSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=CCSCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000231957397	600390632	/nfs/dbraw/zinc/39/06/32/600390632.db2.gz	UYSSTGVHLBFSEJ-UHFFFAOYSA-N	-1	0	298.339	2.565	20	30		CFEDRM
COc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1	ZINC000205491828	600590130	/nfs/dbraw/zinc/59/01/30/600590130.db2.gz	BBGGLZZAXFZJHB-OAHLLOKOSA-N	-1	0	282.299	2.805	20	30		CFEDRM
N#Cc1ccccc1NCc1ccc(C(=O)[O-])cc1	ZINC000020075487	600688089	/nfs/dbraw/zinc/68/80/89/600688089.db2.gz	WXGGELAGYZBMRE-UHFFFAOYSA-N	-1	0	252.273	2.869	20	30		CFEDRM
C/C(=C\CSc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000825793719	600729313	/nfs/dbraw/zinc/72/93/13/600729313.db2.gz	YNEZUWOIHGTTBZ-XBXARRHUSA-N	-1	0	251.282	2.820	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000776675051	600804205	/nfs/dbraw/zinc/80/42/05/600804205.db2.gz	YJGKALJBXHUSOC-LBPRGKRZSA-N	-1	0	281.739	2.938	20	30		CFEDRM
COc1ccc(O)c(/C=N/C[C@H](CC(C)C)C(=O)[O-])c1	ZINC000738040646	600816914	/nfs/dbraw/zinc/81/69/14/600816914.db2.gz	BALAWJIXHWLLMK-WIJRQFRKSA-N	-1	0	279.336	2.567	20	30		CFEDRM
C=CCCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825676146	600825641	/nfs/dbraw/zinc/82/56/41/600825641.db2.gz	XGZOCAPPLLQAJV-SNVBAGLBSA-N	-1	0	297.401	2.861	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F	ZINC000111476075	600927659	/nfs/dbraw/zinc/92/76/59/600927659.db2.gz	ILAVDRJBBBCSEB-VHSXEESVSA-N	-1	0	290.294	2.527	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000126768945	601269414	/nfs/dbraw/zinc/26/94/14/601269414.db2.gz	OUNCMBGPRAPWLQ-NXEZZACHSA-N	-1	0	290.294	2.527	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000126768661	601269530	/nfs/dbraw/zinc/26/95/30/601269530.db2.gz	OUNCMBGPRAPWLQ-UWVGGRQHSA-N	-1	0	290.294	2.527	20	30		CFEDRM
Cc1noc(C)c1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833020005	601305447	/nfs/dbraw/zinc/30/54/47/601305447.db2.gz	KAOJEMWVZIACNG-PSLIRLAXSA-N	-1	0	299.330	2.640	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCOc3ccccc3C2=O)[nH]1	ZINC000833312541	601332252	/nfs/dbraw/zinc/33/22/52/601332252.db2.gz	QKTAXKBMSDSFDY-KTKRTIGZSA-N	-1	0	283.283	2.762	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3cc(F)ccc3C2=O)[nH]1	ZINC000833312240	601332846	/nfs/dbraw/zinc/33/28/46/601332846.db2.gz	NBOYTQWNLBMZMS-CLFYSBASSA-N	-1	0	271.247	2.674	20	30		CFEDRM
CC(C)CCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826844605	601345533	/nfs/dbraw/zinc/34/55/33/601345533.db2.gz	BZUCLNXURAXDPO-AWEZNQCLSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC/C=C(\C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829170079	601345896	/nfs/dbraw/zinc/34/58/96/601345896.db2.gz	JMJFCJCBEXMDMC-KADSFNECSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C/C(=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000825723878	601349584	/nfs/dbraw/zinc/34/95/84/601349584.db2.gz	CTTSPOCWLBHWEE-XMELGKRDSA-N	-1	0	285.299	2.583	20	30		CFEDRM
CCOc1cccc(/C=N/CC2(C(=O)[O-])CCCC2)c1O	ZINC000830099298	601365618	/nfs/dbraw/zinc/36/56/18/601365618.db2.gz	BLYUWSOYOWJHIC-LICLKQGHSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C(=O)[O-]	ZINC000829347732	601383569	/nfs/dbraw/zinc/38/35/69/601383569.db2.gz	LJKOBHCQKXTBRC-ZDUSSCGKSA-N	-1	0	291.307	2.912	20	30		CFEDRM
C/C(=C\CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-]	ZINC000825741366	601429222	/nfs/dbraw/zinc/42/92/22/601429222.db2.gz	MHCVLNLOXQHWPX-FKZVYCBESA-N	-1	0	284.359	2.789	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2F)[nH]1	ZINC000833312556	601446002	/nfs/dbraw/zinc/44/60/02/601446002.db2.gz	RCKCJTSJFXMTNN-ZZXKWVIFSA-N	-1	0	277.226	2.887	20	30		CFEDRM
C=CCCCC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000825671659	601452294	/nfs/dbraw/zinc/45/22/94/601452294.db2.gz	ZFNQYJDSWLYVMH-UHFFFAOYSA-N	-1	0	253.342	2.637	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(C(=O)[O-])o1	ZINC000827854264	601468866	/nfs/dbraw/zinc/46/88/66/601468866.db2.gz	UDYUQCOUFIGNEJ-ZETCQYMHSA-N	-1	0	291.284	2.829	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000821345061	601525007	/nfs/dbraw/zinc/52/50/07/601525007.db2.gz	HJNZXMNWCWYTMA-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000063097411	601617914	/nfs/dbraw/zinc/61/79/14/601617914.db2.gz	ZBBCOBWBCPNMAU-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C=C[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000825653175	601680697	/nfs/dbraw/zinc/68/06/97/601680697.db2.gz	DRVUJKABPHPNCF-CABZTGNLSA-N	-1	0	296.754	2.730	20	30		CFEDRM
CCCCCCCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000111249190	601698851	/nfs/dbraw/zinc/69/88/51/601698851.db2.gz	WOAOTBRETYRCJY-CHWSQXEVSA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000825659718	601701848	/nfs/dbraw/zinc/70/18/48/601701848.db2.gz	AYUDIJSMWXTDLL-UWVGGRQHSA-N	-1	0	279.361	2.556	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000825659719	601701874	/nfs/dbraw/zinc/70/18/74/601701874.db2.gz	AYUDIJSMWXTDLL-VHSXEESVSA-N	-1	0	279.361	2.556	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000158848141	601757223	/nfs/dbraw/zinc/75/72/23/601757223.db2.gz	GRYYPOUCRDXOSX-ZETCQYMHSA-N	-1	0	268.700	2.734	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cc(F)cc(F)c2)c[nH]1	ZINC000833092731	601763724	/nfs/dbraw/zinc/76/37/24/601763724.db2.gz	LWMZZIPGYLZNJU-OWOJBTEDSA-N	-1	0	277.226	2.887	20	30		CFEDRM
Cc1cccc2c1C/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832974450	601793185	/nfs/dbraw/zinc/79/31/85/601793185.db2.gz	MUDAZUDIIQGMEQ-VZUCSPMQSA-N	-1	0	267.284	2.844	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1	ZINC000757467223	601825725	/nfs/dbraw/zinc/82/57/25/601825725.db2.gz	CAPPQXHJQFIYCZ-CLTKARDFSA-N	-1	0	284.267	2.692	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832952709	601825921	/nfs/dbraw/zinc/82/59/21/601825921.db2.gz	ACLCERJIZKLADK-QPJJXVBHSA-N	-1	0	271.272	2.623	20	30		CFEDRM
Cc1ccc(F)c(NN=Cc2ccc(C(=O)[O-])o2)c1	ZINC000832935690	601851923	/nfs/dbraw/zinc/85/19/23/601851923.db2.gz	IZYPZSISFVOEGV-UHFFFAOYSA-N	-1	0	262.240	2.871	20	30		CFEDRM
O=C([O-])c1ccc(NC(=O)C#Cc2ccccc2)cc1F	ZINC000236467212	601876550	/nfs/dbraw/zinc/87/65/50/601876550.db2.gz	ISEUPAKSQMMCDZ-UHFFFAOYSA-N	-1	0	283.258	2.514	20	30		CFEDRM
N#Cc1ccc(C(=O)NCCCCCCCC(=O)[O-])s1	ZINC000833072690	602024495	/nfs/dbraw/zinc/02/44/95/602024495.db2.gz	XLDLIFWIUYIPLG-UHFFFAOYSA-N	-1	0	294.376	2.775	20	30		CFEDRM
CC1CC(C#N)(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C1	ZINC000828149516	602039946	/nfs/dbraw/zinc/03/99/46/602039946.db2.gz	KZGBBTITKXOFKW-VMBJYNEYSA-N	-1	0	298.342	2.531	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H](C)CC(=O)[O-])c1	ZINC000825647339	602142927	/nfs/dbraw/zinc/14/29/27/602142927.db2.gz	LCNMKBIOZUDSOQ-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1ccc2ccccc2n1	ZINC000827240525	602178666	/nfs/dbraw/zinc/17/86/66/602178666.db2.gz	LUMAGWJMQBMJDO-JQWIXIFHSA-N	-1	0	282.299	2.522	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000825605922	602200880	/nfs/dbraw/zinc/20/08/80/602200880.db2.gz	ZQUNLJOQKWMUKZ-UHFFFAOYSA-N	-1	0	275.308	2.702	20	30		CFEDRM
O=C([O-])c1ccc(C=CC(=O)c2c[nH]c3ncccc23)o1	ZINC000833311698	602300740	/nfs/dbraw/zinc/30/07/40/602300740.db2.gz	AYPVIMPOCJVJGO-HYXAFXHYSA-N	-1	0	282.255	2.750	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000823516441	602856424	/nfs/dbraw/zinc/85/64/24/602856424.db2.gz	KTYLFJMQRQYZJC-UHFFFAOYSA-N	-1	0	278.308	2.698	20	30		CFEDRM
C[C@@H](CCNc1c(Cl)cccc1C#N)NC(=O)[O-]	ZINC000824803673	603182413	/nfs/dbraw/zinc/18/24/13/603182413.db2.gz	TVDCBTAZBPHCKO-QMMMGPOBSA-N	-1	0	267.716	2.670	20	30		CFEDRM
N#Cc1cccc(Cl)c1NCCN(C(=O)[O-])C1CC1	ZINC000831146253	603187403	/nfs/dbraw/zinc/18/74/03/603187403.db2.gz	MOWUZVQRIFUAAK-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
CCOc1cccc(/C=N\C[C@@H](NC(=O)[O-])C(C)C)c1O	ZINC000739504942	603396639	/nfs/dbraw/zinc/39/66/39/603396639.db2.gz	OPVYNHVGXPQLRN-VJMCZWTHSA-N	-1	0	294.351	2.502	20	30		CFEDRM
N#CC1(C(=O)Oc2cccc(NC(=O)[O-])c2)CCCC1	ZINC000831070808	603482765	/nfs/dbraw/zinc/48/27/65/603482765.db2.gz	SIHGWCHHNMAREI-UHFFFAOYSA-N	-1	0	274.276	2.766	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2ccc(F)cc2)cn1	ZINC000832840642	603486012	/nfs/dbraw/zinc/48/60/12/603486012.db2.gz	LRUNKVUWFBAJBM-UHFFFAOYSA-N	-1	0	274.255	2.757	20	30		CFEDRM
CC(C)(CNc1c(Cl)cccc1C#N)NC(=O)[O-]	ZINC000824011387	603521150	/nfs/dbraw/zinc/52/11/50/603521150.db2.gz	KESXHOPFDALSET-UHFFFAOYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@H](CC=C(C)C)C(=O)[O-])cc1	ZINC000900355220	620664056	/nfs/dbraw/zinc/66/40/56/620664056.db2.gz	IDRDYKJYNIGFBR-CQSZACIVSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cccc(CN(CC)C(=O)[O-])c1	ZINC000823491471	603767318	/nfs/dbraw/zinc/76/73/18/603767318.db2.gz	VPTFHMAXBFFENY-LLVKDONJSA-N	-1	0	291.351	2.883	20	30		CFEDRM
C[C@H](CN(C)C(=O)[O-])c1noc(C2(C#N)CCCCC2)n1	ZINC000824902918	603770093	/nfs/dbraw/zinc/77/00/93/603770093.db2.gz	RIWBHECHUHPFTF-SNVBAGLBSA-N	-1	0	292.339	2.508	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])cc1	ZINC000900354972	620663472	/nfs/dbraw/zinc/66/34/72/620663472.db2.gz	DGRMZGYAZDBADN-CQSZACIVSA-N	-1	0	288.347	2.631	20	30		CFEDRM
O=C([O-])N1CCC(C=NNCc2ccccc2Cl)CC1	ZINC000831869326	603858821	/nfs/dbraw/zinc/85/88/21/603858821.db2.gz	MZEZAVQNSWQKJK-UHFFFAOYSA-N	-1	0	295.770	2.805	20	30		CFEDRM
C=C(Cl)COC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823486064	604024427	/nfs/dbraw/zinc/02/44/27/604024427.db2.gz	NUUUJVFCANXXOL-ZYHUDNBSSA-N	-1	0	297.738	2.927	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2cccc(F)c2C#N)C1	ZINC000825280579	604053149	/nfs/dbraw/zinc/05/31/49/604053149.db2.gz	HRTRBHSBLOQKFI-GHMZBOCLSA-N	-1	0	291.326	2.570	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000823491571	604067143	/nfs/dbraw/zinc/06/71/43/604067143.db2.gz	XHHCWLAUCFGVQA-KBPBESRZSA-N	-1	0	294.395	2.697	20	30		CFEDRM
CCC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(C#N)cc1	ZINC000826757148	604161474	/nfs/dbraw/zinc/16/14/74/604161474.db2.gz	DFVNQWXRNXBKTI-GWCFXTLKSA-N	-1	0	290.319	2.599	20	30		CFEDRM
COc1cc(F)cc(N=NCC2CCN(C(=O)[O-])CC2)c1	ZINC000829141367	604304983	/nfs/dbraw/zinc/30/49/83/604304983.db2.gz	CSHRWHVVOHTMGB-UHFFFAOYSA-N	-1	0	295.314	2.622	20	30		CFEDRM
C=CCCCN(C)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823496892	604358745	/nfs/dbraw/zinc/35/87/45/604358745.db2.gz	RWLTZRMKHPSJKI-UONOGXRCSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C=CCCC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823490645	604443481	/nfs/dbraw/zinc/44/34/81/604443481.db2.gz	INSQUXXSGBVUJE-LLVKDONJSA-N	-1	0	276.336	2.598	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1cc(C(=O)[O-])oc1C)OCC	ZINC000833368410	604596733	/nfs/dbraw/zinc/59/67/33/604596733.db2.gz	HIYPNJLTBRDGOC-GFCCVEGCSA-N	-1	0	296.319	2.701	20	30		CFEDRM
C=CCCCN(C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000136016554	604599887	/nfs/dbraw/zinc/59/98/87/604599887.db2.gz	APNKFOGOJRXZFH-UHFFFAOYSA-N	-1	0	290.363	2.535	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1ccsc1C(=O)[O-])OCC	ZINC000833367716	604604221	/nfs/dbraw/zinc/60/42/21/604604221.db2.gz	SBQQUVDPLVJWSQ-JTQLQIEISA-N	-1	0	283.349	2.756	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N(C)c1ccccc1C(=O)[O-])OCC	ZINC000833367801	604606793	/nfs/dbraw/zinc/60/67/93/604606793.db2.gz	VTBHHHKEMAHKOD-CQSZACIVSA-N	-1	0	291.347	2.719	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccsc1	ZINC000763370193	604666862	/nfs/dbraw/zinc/66/68/62/604666862.db2.gz	LZWBSFPRQZFTOE-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
C[C@@H]1C[C@H]1c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763371675	604668365	/nfs/dbraw/zinc/66/83/65/604668365.db2.gz	HUQVARRLKPPHNQ-BXKDBHETSA-N	-1	0	285.303	2.942	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1F	ZINC000763370793	604668562	/nfs/dbraw/zinc/66/85/62/604668562.db2.gz	WAXCGJQSLKYONL-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C#CCNC(=S)Nc1sc(C(C)(C)C)cc1C(=O)[O-]	ZINC000833365960	604677153	/nfs/dbraw/zinc/67/71/53/604677153.db2.gz	ZMNSFZQUYBTXBP-UHFFFAOYSA-N	-1	0	296.417	2.663	20	30		CFEDRM
C=C(Br)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167266735	604772826	/nfs/dbraw/zinc/77/28/26/604772826.db2.gz	BBXBCQRCLNODRL-NSHDSACASA-N	-1	0	296.164	2.974	20	30		CFEDRM
Cc1[nH]c(C(=O)Nc2cccc(C#N)c2C)c(C)c1C(=O)[O-]	ZINC000832846223	604779443	/nfs/dbraw/zinc/77/94/43/604779443.db2.gz	JRRFMBBZRLERNP-UHFFFAOYSA-N	-1	0	297.314	2.762	20	30		CFEDRM
CC(C)(C)[C@@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000833424058	604832122	/nfs/dbraw/zinc/83/21/22/604832122.db2.gz	FYFTVKIEDXFUCS-LURJTMIESA-N	-1	0	273.745	2.579	20	30		CFEDRM
C=C1CCN(C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)CC1	ZINC000823485495	604838355	/nfs/dbraw/zinc/83/83/55/604838355.db2.gz	GGOORSGCFGHTGF-CYBMUJFWSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C[C@@H](SCC#Cc1ccccc1Cl)C(=O)[O-]	ZINC000833543518	604873497	/nfs/dbraw/zinc/87/34/97/604873497.db2.gz	UOKBNHQDTDERPP-SECBINFHSA-N	-1	0	254.738	2.898	20	30		CFEDRM
C[N@H+](CC#Cc1ccc(F)cc1)C1(C(=O)[O-])CCCC1	ZINC000833690707	604961213	/nfs/dbraw/zinc/96/12/13/604961213.db2.gz	BBNAMYITPYDOJV-UHFFFAOYSA-N	-1	0	275.323	2.506	20	30		CFEDRM
COc1ccc(C#N)cc1CNc1ccccc1C(=O)[O-]	ZINC000832152433	604984322	/nfs/dbraw/zinc/98/43/22/604984322.db2.gz	FXQSGFZTLGQAJQ-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000833362718	605009238	/nfs/dbraw/zinc/00/92/38/605009238.db2.gz	GUWKZBZNLZLLHY-UHFFFAOYSA-N	-1	0	274.320	2.586	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833362988	605014554	/nfs/dbraw/zinc/01/45/54/605014554.db2.gz	VGAOHGRMJHRGEI-UONOGXRCSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819700873	605019432	/nfs/dbraw/zinc/01/94/32/605019432.db2.gz	MJYCGZQYLUEIAX-UHFFFAOYSA-N	-1	0	260.289	2.622	20	30		CFEDRM
C#CCCCCC(=O)Oc1ccc(C(=O)[O-])cc1C(C)=O	ZINC000833362662	605020544	/nfs/dbraw/zinc/02/05/44/605020544.db2.gz	CXUXPTVXBAEMTD-UHFFFAOYSA-N	-1	0	288.299	2.686	20	30		CFEDRM
C#CCCCNc1ccc(Br)c(C(=O)[O-])c1	ZINC000833362495	605038744	/nfs/dbraw/zinc/03/87/44/605038744.db2.gz	VODDWFOELDUADU-UHFFFAOYSA-N	-1	0	282.137	2.973	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833373710	605076619	/nfs/dbraw/zinc/07/66/19/605076619.db2.gz	ZBDXJTLBKLOHLQ-VXGBXAGGSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCn1c(C)nnc1S[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000833379902	605149286	/nfs/dbraw/zinc/14/92/86/605149286.db2.gz	PJQTWEPRSBFTJG-SNVBAGLBSA-N	-1	0	283.397	2.754	20	30		CFEDRM
C#CCCCOC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000833362473	605198552	/nfs/dbraw/zinc/19/85/52/605198552.db2.gz	UCBKHRQIFHJSET-NSHDSACASA-N	-1	0	292.356	2.822	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000236457521	605214503	/nfs/dbraw/zinc/21/45/03/605214503.db2.gz	QDFONOCFGYPILC-UHFFFAOYSA-N	-1	0	281.258	2.795	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CN(C(=O)[O-])c1ccccc1	ZINC000823475440	605244879	/nfs/dbraw/zinc/24/48/79/605244879.db2.gz	YDBWJNPZZSWZEZ-UHFFFAOYSA-N	-1	0	276.336	2.596	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CNC(=O)[O-])c2)o1	ZINC000831126443	605248607	/nfs/dbraw/zinc/24/86/07/605248607.db2.gz	FGRYLFXCJKIHJD-UHFFFAOYSA-N	-1	0	271.276	2.531	20	30		CFEDRM
N#Cc1cccc(CNc2cccc(CNC(=O)[O-])c2)c1	ZINC000831146769	605248657	/nfs/dbraw/zinc/24/86/57/605248657.db2.gz	YHXCZULPRRHVEG-UHFFFAOYSA-N	-1	0	281.315	2.938	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Nc1nc(CC(=O)[O-])cs1	ZINC000833374393	605251764	/nfs/dbraw/zinc/25/17/64/605251764.db2.gz	ZHOUUJMQFLWUKB-VIFPVBQESA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833373931	605304260	/nfs/dbraw/zinc/30/42/60/605304260.db2.gz	JYGIJWORPAFVHK-SECBINFHSA-N	-1	0	296.298	2.835	20	30		CFEDRM
COc1ccc(O)c(/C=N\CC2(C(=O)[O-])CCCCC2)c1	ZINC000833733220	605321989	/nfs/dbraw/zinc/32/19/89/605321989.db2.gz	CWFWDXADVCVADI-YVLHZVERSA-N	-1	0	291.347	2.855	20	30		CFEDRM
Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1NC(=O)[O-]	ZINC000829940414	605327031	/nfs/dbraw/zinc/32/70/31/605327031.db2.gz	MQZZZPSDOUHPDG-YPMHNXCESA-N	-1	0	287.319	2.507	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2cc(Cl)ccn2)CC1	ZINC000834164545	605389300	/nfs/dbraw/zinc/38/93/00/605389300.db2.gz	OYTVCPUBDDRKBK-UHFFFAOYSA-N	-1	0	282.731	2.713	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000135309234	605393452	/nfs/dbraw/zinc/39/34/52/605393452.db2.gz	JEXJZLSATZSJTO-UHFFFAOYSA-N	-1	0	262.309	2.733	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000833368475	605396590	/nfs/dbraw/zinc/39/65/90/605396590.db2.gz	KJLCRILWGVMNHZ-UHFFFAOYSA-N	-1	0	291.351	2.836	20	30		CFEDRM
C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(C#N)c(Cl)c1	ZINC000825843813	605481111	/nfs/dbraw/zinc/48/11/11/605481111.db2.gz	FRPVNXBTBWFDTR-GXSJLCMTSA-N	-1	0	293.754	2.837	20	30		CFEDRM
C#CCOc1ccccc1CNc1cccc(CC(=O)[O-])c1	ZINC000817675314	605544404	/nfs/dbraw/zinc/54/44/04/605544404.db2.gz	NIYOUVORPUURFE-UHFFFAOYSA-N	-1	0	295.338	2.938	20	30		CFEDRM
N#CC1(C(=O)OCc2cccc(NC(=O)[O-])c2)CCC1	ZINC000831070077	605548574	/nfs/dbraw/zinc/54/85/74/605548574.db2.gz	DAJKHFHSFYPCBP-UHFFFAOYSA-N	-1	0	274.276	2.514	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000833361786	605579621	/nfs/dbraw/zinc/57/96/21/605579621.db2.gz	LVFOJLJGKZNVAA-LBPRGKRZSA-N	-1	0	293.388	2.964	20	30		CFEDRM
C#CCCCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000833361972	605598360	/nfs/dbraw/zinc/59/83/60/605598360.db2.gz	UMXIKKJNHTUEHI-ZNMIVQPWSA-N	-1	0	291.391	2.814	20	30		CFEDRM
C#CCCCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000833361970	605598411	/nfs/dbraw/zinc/59/84/11/605598411.db2.gz	UMXIKKJNHTUEHI-KFWWJZLASA-N	-1	0	291.391	2.814	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000833361800	605623200	/nfs/dbraw/zinc/62/32/00/605623200.db2.gz	MHJSZGQMYPHXSN-HNNXBMFYSA-N	-1	0	291.322	2.651	20	30		CFEDRM
CC[C@H](C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833639495	605672779	/nfs/dbraw/zinc/67/27/79/605672779.db2.gz	UYCQZNWKBFHLTC-COPLHBTASA-N	-1	0	289.331	2.909	20	30		CFEDRM
Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1NC(=O)[O-]	ZINC000829934402	605707454	/nfs/dbraw/zinc/70/74/54/605707454.db2.gz	LNNJZPILJCLSCV-GFCCVEGCSA-N	-1	0	289.335	2.753	20	30		CFEDRM
C#CCCCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000833362077	605719485	/nfs/dbraw/zinc/71/94/85/605719485.db2.gz	YLWOMRWYQDKLHK-AWEZNQCLSA-N	-1	0	293.407	2.920	20	30		CFEDRM
N#CCOc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1	ZINC000833967776	605719964	/nfs/dbraw/zinc/71/99/64/605719964.db2.gz	NMNAVEKRPOYYCM-UHFFFAOYSA-N	-1	0	298.302	2.686	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC1CCCC1	ZINC000834101923	605723925	/nfs/dbraw/zinc/72/39/25/605723925.db2.gz	BRQQICRIRHUKNS-TZMCWYRMSA-N	-1	0	279.384	2.817	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NOCC(F)(F)F	ZINC000834107100	605725655	/nfs/dbraw/zinc/72/56/55/605725655.db2.gz	WBBRSUUUGDVBRC-WPRPVWTQSA-N	-1	0	294.273	2.864	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833373960	605812837	/nfs/dbraw/zinc/81/28/37/605812837.db2.gz	LLIWAQHRBSKDJM-SNVBAGLBSA-N	-1	0	296.294	2.548	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])ccc1F	ZINC000833362997	605819156	/nfs/dbraw/zinc/81/91/56/605819156.db2.gz	VTDNPTFRZWNVIQ-UHFFFAOYSA-N	-1	0	278.279	2.761	20	30		CFEDRM
CC(C)(C[N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000800996583	630420928	/nfs/dbraw/zinc/42/09/28/630420928.db2.gz	JEDMFTLPZNTSEV-UHFFFAOYSA-N	-1	0	269.160	2.592	20	30		CFEDRM
N#Cc1cc(NC[C@@H](NC(=O)[O-])C2CC2)nc2ccccc12	ZINC000833975483	605921123	/nfs/dbraw/zinc/92/11/23/605921123.db2.gz	XQFPEIJDJXAJID-CQSZACIVSA-N	-1	0	296.330	2.565	20	30		CFEDRM
N#C[C@@H](OC(=O)C[C@H]1CCCN1C(=O)[O-])C1CCCCC1	ZINC000833964665	606017929	/nfs/dbraw/zinc/01/79/29/606017929.db2.gz	MXCSXKDCNMHQMI-CHWSQXEVSA-N	-1	0	294.351	2.535	20	30		CFEDRM
O=C([O-])NCCC=NOc1ccccc1C(F)(F)F	ZINC000834229577	606018042	/nfs/dbraw/zinc/01/80/42/606018042.db2.gz	NZPXLGMZMCDSRE-UHFFFAOYSA-N	-1	0	276.214	2.728	20	30		CFEDRM
N#Cc1ccc([C@H](O)COc2cccc(NC(=O)[O-])c2)cc1	ZINC000833974710	606038154	/nfs/dbraw/zinc/03/81/54/606038154.db2.gz	VRYLYFLHOUQVSY-OAHLLOKOSA-N	-1	0	298.298	2.761	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NO[C@H]3CCCCO3)c21	ZINC000834121592	606055669	/nfs/dbraw/zinc/05/56/69/606055669.db2.gz	BCDKDEUUEWYAHS-ZDUSSCGKSA-N	-1	0	290.319	2.604	20	30		CFEDRM
CCCCCCN=Nc1oc(C(C)C)nc1-c1nnn[n-]1	ZINC000825267218	607886785	/nfs/dbraw/zinc/88/67/85/607886785.db2.gz	JVECUXRURHBRSK-UHFFFAOYSA-N	-1	0	291.359	2.956	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)C(C)C)c1ccccc1	ZINC000049418141	617604203	/nfs/dbraw/zinc/60/42/03/617604203.db2.gz	TUGSPCWCMWEQCK-LUAWRHEFSA-N	-1	0	267.350	2.785	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])o1	ZINC000255382697	617704369	/nfs/dbraw/zinc/70/43/69/617704369.db2.gz	ALIHESOZBCGRIZ-UTCJRWHESA-N	-1	0	290.246	2.807	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cccc2)cc1	ZINC000049417987	617604059	/nfs/dbraw/zinc/60/40/59/617604059.db2.gz	ZAWZAMOHWWYVIB-UHFFFAOYSA-N	-1	0	292.360	2.520	20	30		CFEDRM
Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049417480	617604249	/nfs/dbraw/zinc/60/42/49/617604249.db2.gz	FTVDTZZZQAQPBN-UHFFFAOYSA-N	-1	0	299.392	2.767	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)C2CCC2)c(C)s1	ZINC000049501735	617606998	/nfs/dbraw/zinc/60/69/98/617606998.db2.gz	IQKLKVMXXOGULY-UHFFFAOYSA-N	-1	0	273.379	2.810	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccoc2C)c(C)s1	ZINC000049501677	617607024	/nfs/dbraw/zinc/60/70/24/617607024.db2.gz	CYBYGBIPLDBXMW-UHFFFAOYSA-N	-1	0	299.373	2.960	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c1	ZINC000049515797	617607937	/nfs/dbraw/zinc/60/79/37/617607937.db2.gz	ZZDIUVMUFWHYNA-UHFFFAOYSA-N	-1	0	283.349	2.531	20	30		CFEDRM
N#Cc1cccc(Cl)c1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000900978659	620737380	/nfs/dbraw/zinc/73/73/80/620737380.db2.gz	NNZVDPGOCQCMMD-KOLCDFICSA-N	-1	0	264.712	2.877	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NOC/C=C/Cl)cc1	ZINC000811671567	617715804	/nfs/dbraw/zinc/71/58/04/617715804.db2.gz	HMCLGEDIWBWBKK-GJAHGARYSA-N	-1	0	283.711	2.643	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1	ZINC000121556189	617737669	/nfs/dbraw/zinc/73/76/69/617737669.db2.gz	OHUIUAPCZXVCLF-SNVBAGLBSA-N	-1	0	290.388	2.670	20	30		CFEDRM
C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000022768883	617859613	/nfs/dbraw/zinc/85/96/13/617859613.db2.gz	JHOWOPJYJZHWBF-VCBXAZPMSA-N	-1	0	271.276	2.876	20	30		CFEDRM
CCCCNN=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901170217	620761296	/nfs/dbraw/zinc/76/12/96/620761296.db2.gz	SVTAFRKPOVMZKX-UHFFFAOYSA-N	-1	0	260.746	2.823	20	30		CFEDRM
CNC(=O)c1ccc(/C=C\C(=O)c2ccccc2[O-])cc1	ZINC000255449760	617938743	/nfs/dbraw/zinc/93/87/43/617938743.db2.gz	UHPLFCZGSZKTJR-FLIBITNWSA-N	-1	0	281.311	2.648	20	30		CFEDRM
[O-]c1cc(Br)cnc1C=NOC1CCCC1	ZINC000901209906	620765272	/nfs/dbraw/zinc/76/52/72/620765272.db2.gz	CCTBLZKWNXFCDX-UHFFFAOYSA-N	-1	0	285.141	2.843	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000901217741	620766568	/nfs/dbraw/zinc/76/65/68/620766568.db2.gz	LGWLBZDZEONLHN-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519113	617978690	/nfs/dbraw/zinc/97/86/90/617978690.db2.gz	GUEQQQSTBCQJMU-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
CC[C@H](C)NN=Cc1cc(C(=O)[O-])ccc1Br	ZINC000901232550	620768596	/nfs/dbraw/zinc/76/85/96/620768596.db2.gz	AZRPNCVRENCSOO-QMMMGPOBSA-N	-1	0	299.168	2.869	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042251995	618014111	/nfs/dbraw/zinc/01/41/11/618014111.db2.gz	AXXKBAGPRXFRKZ-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NOC3CCC3)c2c1	ZINC000901246262	620771556	/nfs/dbraw/zinc/77/15/56/620771556.db2.gz	MTGWUKMZJGPVMV-UHFFFAOYSA-N	-1	0	258.277	2.769	20	30		CFEDRM
N#Cc1cccc(SCC(=O)[N-]OCc2ccccc2)c1	ZINC000158673952	618077753	/nfs/dbraw/zinc/07/77/53/618077753.db2.gz	HJWZWRUOSDZTDC-UHFFFAOYSA-N	-1	0	298.367	2.898	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000049004093	618077920	/nfs/dbraw/zinc/07/79/20/618077920.db2.gz	HLLUVUXMNINJPT-VIFPVBQESA-N	-1	0	291.394	2.517	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846550943	618113914	/nfs/dbraw/zinc/11/39/14/618113914.db2.gz	ZWELJBVEEFGOAG-WRWORJQWSA-N	-1	0	290.146	2.649	20	30		CFEDRM
CCC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000126126378	618152951	/nfs/dbraw/zinc/15/29/51/618152951.db2.gz	NMYGPKADRYMSBW-HNNXBMFYSA-N	-1	0	298.386	2.975	20	30		CFEDRM
CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000070035136	618187210	/nfs/dbraw/zinc/18/72/10/618187210.db2.gz	GASSWSWISFSPBG-LBPRGKRZSA-N	-1	0	290.429	2.746	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2cccs2)c1	ZINC000255325815	618198161	/nfs/dbraw/zinc/19/81/61/618198161.db2.gz	LWCZNVVUOLVKID-XQRVVYSFSA-N	-1	0	270.313	2.977	20	30		CFEDRM
CCn1nc(C)c(/C=C\C(=O)c2ccc(O)cc2[O-])c1C	ZINC000255327429	618198504	/nfs/dbraw/zinc/19/85/04/618198504.db2.gz	MECMSNTZDJVWAR-FPLPWBNLSA-N	-1	0	286.331	2.827	20	30		CFEDRM
CN(C)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176832688	618210213	/nfs/dbraw/zinc/21/02/13/618210213.db2.gz	OYGXMMWJRKQQSB-UHFFFAOYSA-N	-1	0	281.315	2.582	20	30		CFEDRM
Cc1cccc(CC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176833848	618210267	/nfs/dbraw/zinc/21/02/67/618210267.db2.gz	WIKXIVUPMKUDIF-UHFFFAOYSA-N	-1	0	266.300	2.754	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccsc2)c1	ZINC000255618378	618233207	/nfs/dbraw/zinc/23/32/07/618233207.db2.gz	OGJCOKOYXYFHMH-QPEQYQDCSA-N	-1	0	262.290	2.981	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909423154	618247075	/nfs/dbraw/zinc/24/70/75/618247075.db2.gz	ISFWRRNMVJJSFX-PBHICJAKSA-N	-1	0	287.359	2.799	20	30		CFEDRM
CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000049178047	618252288	/nfs/dbraw/zinc/25/22/88/618252288.db2.gz	YMEMXOSMLFFSOB-NSHDSACASA-N	-1	0	285.365	2.537	20	30		CFEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000049178060	618252417	/nfs/dbraw/zinc/25/24/17/618252417.db2.gz	UATVPUWLYFHNMV-GFCCVEGCSA-N	-1	0	299.392	2.845	20	30		CFEDRM
CC(C)(CCNc1nc(Cl)c(C#N)s1)C(=O)[O-]	ZINC000310202591	618271727	/nfs/dbraw/zinc/27/17/27/618271727.db2.gz	CCZCYISIEIFDHP-UHFFFAOYSA-N	-1	0	273.745	2.581	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](C)CCC(=O)[O-]	ZINC000909447978	618319611	/nfs/dbraw/zinc/31/96/11/618319611.db2.gz	HISRLCGYGMPVBG-LLVKDONJSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000909449456	618330048	/nfs/dbraw/zinc/33/00/48/618330048.db2.gz	DWHYYHPBFQEBOA-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
COc1cc(C)sc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179735227	618343266	/nfs/dbraw/zinc/34/32/66/618343266.db2.gz	WVHZHPKIAQDIPV-UHFFFAOYSA-N	-1	0	288.328	2.895	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1Cl	ZINC000092467533	618347730	/nfs/dbraw/zinc/34/77/30/618347730.db2.gz	ZZZKBOBOJOSIHP-SNVBAGLBSA-N	-1	0	296.754	2.683	20	30		CFEDRM
CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccc(N)cc1	ZINC000254879761	618411225	/nfs/dbraw/zinc/41/12/25/618411225.db2.gz	QJMVYYJGFTWDCS-UHFFFAOYSA-N	-1	0	269.304	2.803	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000909484531	618411785	/nfs/dbraw/zinc/41/17/85/618411785.db2.gz	FMIRHVDUCUURIS-JSGCOSHPSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909494912	618422335	/nfs/dbraw/zinc/42/23/35/618422335.db2.gz	HRYYHANQOBROBA-LLVKDONJSA-N	-1	0	267.369	2.548	20	30		CFEDRM
CSCCON=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000794573412	618429977	/nfs/dbraw/zinc/42/99/77/618429977.db2.gz	ADFNEBZSCAYCKX-UHFFFAOYSA-N	-1	0	273.741	2.752	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909501987	618439615	/nfs/dbraw/zinc/43/96/15/618439615.db2.gz	AUCOMPIBLZDGIS-QMMMGPOBSA-N	-1	0	282.365	2.539	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000909509742	618491921	/nfs/dbraw/zinc/49/19/21/618491921.db2.gz	CBTCNLNOLKSMIY-UHFFFAOYSA-N	-1	0	259.305	2.744	20	30		CFEDRM
C#Cc1cccc(NCc2c(C)nn(CCC(=O)[O-])c2C)c1	ZINC000901450680	620816779	/nfs/dbraw/zinc/81/67/79/620816779.db2.gz	NZGCXRBAAXYGKX-UHFFFAOYSA-N	-1	0	297.358	2.568	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000892708015	618724656	/nfs/dbraw/zinc/72/46/56/618724656.db2.gz	OWGGSOBCQCSYQR-LBPRGKRZSA-N	-1	0	295.404	2.796	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC[C@H]2CC)CC1	ZINC000893033626	618810040	/nfs/dbraw/zinc/81/00/40/618810040.db2.gz	FPBOPJMSLCRCHY-TZMCWYRMSA-N	-1	0	299.436	2.758	20	30		CFEDRM
CC(=NN1CCCC[C@@H]1C)c1ccc(C(=O)[O-])o1	ZINC000853380955	618818760	/nfs/dbraw/zinc/81/87/60/618818760.db2.gz	YOHUTZDKIPTRNE-VIFPVBQESA-N	-1	0	250.298	2.576	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H]1CC2CCC1CC2	ZINC000893092356	618829531	/nfs/dbraw/zinc/82/95/31/618829531.db2.gz	JOUAZRJNLQOGRL-BPCQOVAHSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CC(=NOCCC(F)(F)F)c1cc(C(=O)[O-])ccc1O	ZINC000777460818	618961175	/nfs/dbraw/zinc/96/11/75/618961175.db2.gz	RMGBVMLXECTCBC-UHFFFAOYSA-N	-1	0	291.225	2.783	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C	ZINC000909371161	619015288	/nfs/dbraw/zinc/01/52/88/619015288.db2.gz	FYGALCWBXPDQNA-HNNXBMFYSA-N	-1	0	287.359	2.821	20	30		CFEDRM
COC(=O)c1ccc(O)c(C=NOCc2ccccc2)c1	ZINC000726737011	619258773	/nfs/dbraw/zinc/25/87/73/619258773.db2.gz	DQDSFBAIHMADQN-UHFFFAOYSA-N	-1	0	285.299	2.730	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1	ZINC000048518757	619348504	/nfs/dbraw/zinc/34/85/04/619348504.db2.gz	KDKXTMUKTMPBEJ-UHFFFAOYSA-N	-1	0	283.349	2.725	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519182	619349308	/nfs/dbraw/zinc/34/93/08/619349308.db2.gz	HHVQFYDQIQUJRO-MRVPVSSYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519724	619350312	/nfs/dbraw/zinc/35/03/12/619350312.db2.gz	KPZPWBKZOIBZEQ-JTQLQIEISA-N	-1	0	281.377	2.867	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519823	619350375	/nfs/dbraw/zinc/35/03/75/619350375.db2.gz	DZWIMOIKYDDTTB-SSDOTTSWSA-N	-1	0	277.292	2.656	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCC(C)C)cc1	ZINC000049134999	619535156	/nfs/dbraw/zinc/53/51/56/619535156.db2.gz	REASICFMUNQVRO-LBPRGKRZSA-N	-1	0	299.392	2.701	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1	ZINC000049135693	619535804	/nfs/dbraw/zinc/53/58/04/619535804.db2.gz	JJRRYQYLDGGWAK-UHFFFAOYSA-N	-1	0	277.704	2.534	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000896503784	619751813	/nfs/dbraw/zinc/75/18/13/619751813.db2.gz	NNXKQFZIVISBPC-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
C#CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C(C)C	ZINC000928627012	619832156	/nfs/dbraw/zinc/83/21/56/619832156.db2.gz	IAMTYJJSIICOEM-UHFFFAOYSA-N	-1	0	274.345	2.600	20	30		CFEDRM
COC1(C/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCCC1	ZINC000840705001	619833076	/nfs/dbraw/zinc/83/30/76/619833076.db2.gz	DHVRHKQHPIJNNW-DHDCSXOGSA-N	-1	0	278.308	2.679	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2=CCOCC2)c1[O-]	ZINC000840706925	619859096	/nfs/dbraw/zinc/85/90/96/619859096.db2.gz	MLENNMMZMVNJGE-OVCLIPMQSA-N	-1	0	296.710	2.719	20	30		CFEDRM
CCO[C@H]1C[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000840708982	619884424	/nfs/dbraw/zinc/88/44/24/619884424.db2.gz	AFPKLKPPJBBXPM-FQQAPMKESA-N	-1	0	298.726	2.940	20	30		CFEDRM
CO[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C12CCC2	ZINC000840709092	619886166	/nfs/dbraw/zinc/88/61/66/619886166.db2.gz	AWMGMAMAZKIQRM-SPUNDSLRSA-N	-1	0	290.319	2.677	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCC[C@H]2CCOC2)c1	ZINC000840709988	619897136	/nfs/dbraw/zinc/89/71/36/619897136.db2.gz	NILLKFBCQDLRPV-GPILYODUSA-N	-1	0	278.308	2.536	20	30		CFEDRM
CC(C)O[C@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000840710330	619906295	/nfs/dbraw/zinc/90/62/95/619906295.db2.gz	ISRQLKVFUDJMBE-UXJDAMOVSA-N	-1	0	278.308	2.675	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000909582913	619965785	/nfs/dbraw/zinc/96/57/85/619965785.db2.gz	XIJQNSWQGJPWAE-LBPRGKRZSA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1	ZINC000909599809	619982417	/nfs/dbraw/zinc/98/24/17/619982417.db2.gz	LPSQXTCHLNHKRJ-KRWDZBQOSA-N	-1	0	287.359	2.501	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000909603208	619989813	/nfs/dbraw/zinc/98/98/13/619989813.db2.gz	ZUFFNBLWEONEFC-KRWDZBQOSA-N	-1	0	289.375	2.747	20	30		CFEDRM
N#CC[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F	ZINC000928801177	620014616	/nfs/dbraw/zinc/01/46/16/620014616.db2.gz	UKDVBFDPXVRIQH-BYPYZUCNSA-N	-1	0	298.133	2.535	20	30		CFEDRM
C#Cc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1	ZINC000840729113	620046704	/nfs/dbraw/zinc/04/67/04/620046704.db2.gz	AGSIWZHVDJXFAR-UHFFFAOYSA-N	-1	0	299.370	2.709	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000864184961	620205277	/nfs/dbraw/zinc/20/52/77/620205277.db2.gz	ZGUFKKPYNUCNNA-WDEREUQCSA-N	-1	0	275.776	2.915	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc(O)c2)cc1	ZINC000008322397	620214882	/nfs/dbraw/zinc/21/48/82/620214882.db2.gz	PALPLJSEGWEUGS-RMKNXTFCSA-N	-1	0	268.268	2.987	20	30		CFEDRM
N#Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(F)c1	ZINC000729819036	620256338	/nfs/dbraw/zinc/25/63/38/620256338.db2.gz	BNUNHPUKEWUVGT-GIJQJNRQSA-N	-1	0	299.261	2.930	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000899297884	620542703	/nfs/dbraw/zinc/54/27/03/620542703.db2.gz	LFLZAQREVSOEGE-STQMWFEESA-N	-1	0	267.369	2.692	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O	ZINC000899352662	620547997	/nfs/dbraw/zinc/54/79/97/620547997.db2.gz	MXTNMXFMWSSCCY-SNVBAGLBSA-N	-1	0	290.754	2.615	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@H]1CC=CCC1	ZINC000042248566	620584836	/nfs/dbraw/zinc/58/48/36/620584836.db2.gz	VVINGSRSSNYNQQ-JTQLQIEISA-N	-1	0	283.324	2.827	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1sccc1C#N	ZINC000899761997	620597903	/nfs/dbraw/zinc/59/79/03/620597903.db2.gz	MGCPTRSEKODJTR-SNVBAGLBSA-N	-1	0	280.349	2.695	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000899762377	620597916	/nfs/dbraw/zinc/59/79/16/620597916.db2.gz	SGWBIUGZQYOYPD-CYBMUJFWSA-N	-1	0	288.347	2.828	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899775641	620598910	/nfs/dbraw/zinc/59/89/10/620598910.db2.gz	MMCTYCGZBYCWRZ-CYBMUJFWSA-N	-1	0	288.347	2.942	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1	ZINC000899788962	620599724	/nfs/dbraw/zinc/59/97/24/620599724.db2.gz	JRWMTPZCGVDKBW-CYBMUJFWSA-N	-1	0	288.347	2.942	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899826274	620603897	/nfs/dbraw/zinc/60/38/97/620603897.db2.gz	UTLMLTCNSVOLAC-MCIONIFRSA-N	-1	0	279.380	2.833	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@](C)(CC)CC(=O)[O-])CC1	ZINC000899837267	620604909	/nfs/dbraw/zinc/60/49/09/620604909.db2.gz	UKZNOWLLJMQZOZ-HNNXBMFYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC(C)(C)NC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000899854918	620606736	/nfs/dbraw/zinc/60/67/36/620606736.db2.gz	PUTOBVSWPVJVOS-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])c1	ZINC000899854033	620606793	/nfs/dbraw/zinc/60/67/93/620606793.db2.gz	FKJWSYNPTKHVSS-MNOVXSKESA-N	-1	0	277.320	2.536	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902137011	620980316	/nfs/dbraw/zinc/98/03/16/620980316.db2.gz	XJYOBWSHKWHHHR-AATRIKPKSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000902279607	621013006	/nfs/dbraw/zinc/01/30/06/621013006.db2.gz	LIFPOFLHGJHXSQ-MRXNPFEDSA-N	-1	0	279.380	2.906	20	30		CFEDRM
C=C(C)CN(Cc1cc(C(=O)[O-])no1)Cc1ccccc1	ZINC000902294324	621017486	/nfs/dbraw/zinc/01/74/86/621017486.db2.gz	XNRSAOIJYRXSIJ-UHFFFAOYSA-N	-1	0	286.331	2.951	20	30		CFEDRM
N#Cc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1	ZINC000904189141	621545983	/nfs/dbraw/zinc/54/59/83/621545983.db2.gz	BSWNOLBMKIDLSL-OLZOCXBDSA-N	-1	0	271.320	2.549	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2ccc(C(=O)[O-])cc2C)n1	ZINC000905416497	621763355	/nfs/dbraw/zinc/76/33/55/621763355.db2.gz	GQVFWAIEQSCKOV-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
O=C([O-])c1cccc(N=NC2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1	ZINC000905419211	621764758	/nfs/dbraw/zinc/76/47/58/621764758.db2.gz	OMPDNAIEMGCIQV-DDHJSBNISA-N	-1	0	286.331	2.598	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3CCC[C@@H]3C2)nc1	ZINC000905456437	621776042	/nfs/dbraw/zinc/77/60/42/621776042.db2.gz	FJQIFNHKOCQVFS-NXEZZACHSA-N	-1	0	259.309	2.758	20	30		CFEDRM
O=C([O-])c1cnc(Cl)cc1C=NNCC1CCCC1	ZINC000905470523	621781236	/nfs/dbraw/zinc/78/12/36/621781236.db2.gz	ALDHCSMQOROGHZ-UHFFFAOYSA-N	-1	0	281.743	2.547	20	30		CFEDRM
COc1ccc(-c2cn(C(C)C)nc2C(=O)[O-])c(C#N)c1	ZINC000906244902	621958650	/nfs/dbraw/zinc/95/86/50/621958650.db2.gz	GWICLEAXRNYMAN-UHFFFAOYSA-N	-1	0	285.303	2.709	20	30		CFEDRM
C=CC1(CC(=O)N(CC)CCC(=O)[O-])CCCCC1	ZINC000907572878	622137698	/nfs/dbraw/zinc/13/76/98/622137698.db2.gz	PMONMLMJORHMAU-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000907577658	622138068	/nfs/dbraw/zinc/13/80/68/622138068.db2.gz	VDPMADCMVYJIPW-LRDDRELGSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000907577647	622138294	/nfs/dbraw/zinc/13/82/94/622138294.db2.gz	UQXRGMHRJVRYMG-SMDDNHRTSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CC1(CC(=O)NC2(C(=O)[O-])CCC2)CCCCC1	ZINC000907608340	622138894	/nfs/dbraw/zinc/13/88/94/622138894.db2.gz	GAXQTJQKYGXATA-UHFFFAOYSA-N	-1	0	265.353	2.637	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000907582370	622139238	/nfs/dbraw/zinc/13/92/38/622139238.db2.gz	PZIMKWBISTXKQS-GFCCVEGCSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000907596325	622141161	/nfs/dbraw/zinc/14/11/61/622141161.db2.gz	APPQQKVPOXFTJB-GXTWGEPZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000907605169	622142172	/nfs/dbraw/zinc/14/21/72/622142172.db2.gz	WGOHNNJVYADWLT-XHDPSFHLSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@@H]2C(=O)[O-])CCCCC1	ZINC000907643407	622145754	/nfs/dbraw/zinc/14/57/54/622145754.db2.gz	RAMMWVNZTYIOMZ-GFCCVEGCSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000907614801	622146368	/nfs/dbraw/zinc/14/63/68/622146368.db2.gz	AIXFQWSEBWEQDI-SWLSCSKDSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000907659135	622148546	/nfs/dbraw/zinc/14/85/46/622148546.db2.gz	NDKICSVRPWWYCF-RISCZKNCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000907687703	622152500	/nfs/dbraw/zinc/15/25/00/622152500.db2.gz	GPEQUWOMGALGRS-UTUOFQBUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCCN(CC)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000908221046	622202856	/nfs/dbraw/zinc/20/28/56/622202856.db2.gz	MVSUSCVZFYFTNV-QWHCGFSZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000908222868	622203103	/nfs/dbraw/zinc/20/31/03/622203103.db2.gz	ZBKOBNHUXGIYDK-UHFFFAOYSA-N	-1	0	261.321	2.813	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908289437	622213139	/nfs/dbraw/zinc/21/31/39/622213139.db2.gz	RLRNJLVLKGDDCC-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OC/C=C\Cl)CC2CCC1CC2	ZINC000908314233	622213728	/nfs/dbraw/zinc/21/37/28/622213728.db2.gz	VMBIKHKYJOQIIG-NSZMOZSSSA-N	-1	0	268.744	2.507	20	30		CFEDRM
C#Cc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1	ZINC000908332621	622216833	/nfs/dbraw/zinc/21/68/33/622216833.db2.gz	CSQAMVQXXBESEW-UHFFFAOYSA-N	-1	0	299.370	2.823	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)C(F)(F)c1ccccc1C#N	ZINC000908347809	622218813	/nfs/dbraw/zinc/21/88/13/622218813.db2.gz	MBJNNGDURVQEPY-JTQLQIEISA-N	-1	0	282.290	2.744	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000908671687	622258524	/nfs/dbraw/zinc/25/85/24/622258524.db2.gz	DFWTUWLIJOYDNU-HNNXBMFYSA-N	-1	0	277.320	2.552	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000908676026	622263333	/nfs/dbraw/zinc/26/33/33/622263333.db2.gz	VNTORDUEAGQTCP-SECBINFHSA-N	-1	0	297.380	2.807	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000909125097	622315763	/nfs/dbraw/zinc/31/57/63/622315763.db2.gz	AHYIBOWZFXOJMM-OAHLLOKOSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccccc1	ZINC000909147159	622321933	/nfs/dbraw/zinc/32/19/33/622321933.db2.gz	DUGSWHIXCWXAEJ-GXTWGEPZSA-N	-1	0	275.348	2.525	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000909149792	622322359	/nfs/dbraw/zinc/32/23/59/622322359.db2.gz	QZURQYAFGDEACT-LLVKDONJSA-N	-1	0	293.388	2.757	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NCCCCC(=O)[O-]	ZINC000909182552	622323378	/nfs/dbraw/zinc/32/33/78/622323378.db2.gz	SVDYZPXVWLGMBI-UHFFFAOYSA-N	-1	0	293.388	2.949	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000909167841	622324475	/nfs/dbraw/zinc/32/44/75/622324475.db2.gz	TUAIDDRLSZSFJK-INIZCTEOSA-N	-1	0	291.347	2.999	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251001	622332457	/nfs/dbraw/zinc/33/24/57/622332457.db2.gz	TYVRAUUUTWAEAG-YOEHRIQHSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909702495	622343235	/nfs/dbraw/zinc/34/32/35/622343235.db2.gz	HPRBPMCSVXCMTL-HNNXBMFYSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909705642	622343480	/nfs/dbraw/zinc/34/34/80/622343480.db2.gz	XWKOBIDHVUVKOY-BBRMVZONSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](SC)c1ccccc1)C(=O)[O-]	ZINC000909713470	622344256	/nfs/dbraw/zinc/34/42/56/622344256.db2.gz	QVRQKRHJBZHXFI-STQMWFEESA-N	-1	0	293.388	2.626	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000909714677	622344273	/nfs/dbraw/zinc/34/42/73/622344273.db2.gz	ZHJDDWYRMBQAKM-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000909713806	622344305	/nfs/dbraw/zinc/34/43/05/622344305.db2.gz	SGXINUIQWIWWIO-DWOQACPDSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(NC)ccc1Cl)C(=O)[O-]	ZINC000909715245	622344675	/nfs/dbraw/zinc/34/46/75/622344675.db2.gz	KNJCTPXAWLSTEP-LBPRGKRZSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000909694635	622346175	/nfs/dbraw/zinc/34/61/75/622346175.db2.gz	MYXHBDNTUOUGIP-MRXNPFEDSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000909725059	622346389	/nfs/dbraw/zinc/34/63/89/622346389.db2.gz	OQFULXXKQKXDMP-UWTIGNOOSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000909731889	622347362	/nfs/dbraw/zinc/34/73/62/622347362.db2.gz	GPMGVJBQNHRSDF-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
C=CC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000909750790	622350316	/nfs/dbraw/zinc/35/03/16/622350316.db2.gz	GFZSEPNCQAJYEX-CQSZACIVSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1	ZINC000909789349	622352925	/nfs/dbraw/zinc/35/29/25/622352925.db2.gz	IVOAFHODWOSIGW-LLVKDONJSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909848358	622357064	/nfs/dbraw/zinc/35/70/64/622357064.db2.gz	QIXUHWSHOVBHIZ-ZDUSSCGKSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000909954538	622379763	/nfs/dbraw/zinc/37/97/63/622379763.db2.gz	TWSZKXFGTQUCPT-FUKZOUPISA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910233460	622414352	/nfs/dbraw/zinc/41/43/52/622414352.db2.gz	IYMUCSUJBUHRAI-LBPRGKRZSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000910241642	622416991	/nfs/dbraw/zinc/41/69/91/622416991.db2.gz	DZFDSXZTFIKJGB-JQRITLKVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)C(=O)[O-]	ZINC000910268492	622421598	/nfs/dbraw/zinc/42/15/98/622421598.db2.gz	YRHBTDLMABBEHW-NXEZZACHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC1(C)CCCC1)C(=O)[O-]	ZINC000910267741	622421610	/nfs/dbraw/zinc/42/16/10/622421610.db2.gz	UMWJHHVMQYYWPH-JTQLQIEISA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc(C(C)C)n1)C(=O)[O-]	ZINC000910265570	622421651	/nfs/dbraw/zinc/42/16/51/622421651.db2.gz	HSXRYKWZRXCLCH-LBPRGKRZSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910294984	622430709	/nfs/dbraw/zinc/43/07/09/622430709.db2.gz	SRBOKEJSKTYHBP-CHWSQXEVSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910296075	622431000	/nfs/dbraw/zinc/43/10/00/622431000.db2.gz	ZYIQDMQJDCKSKZ-JSGCOSHPSA-N	-1	0	275.348	2.634	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC000910458271	622446693	/nfs/dbraw/zinc/44/66/93/622446693.db2.gz	KCSZAJYBQCDMHR-AWEZNQCLSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1scnc1C1CC1)C(=O)[O-]	ZINC000910913635	622486028	/nfs/dbraw/zinc/48/60/28/622486028.db2.gz	ZQOMBCLFHRRVDF-JTQLQIEISA-N	-1	0	294.376	2.560	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)Cc1ccccc1)C(=O)[O-]	ZINC000910914667	622486055	/nfs/dbraw/zinc/48/60/55/622486055.db2.gz	MKOYDSXMOMRZTD-HIFRSBDPSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1(CCOC)CCCC1)C(=O)[O-]	ZINC000910913570	622486212	/nfs/dbraw/zinc/48/62/12/622486212.db2.gz	YLRKPAUENQIFQC-CYBMUJFWSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000910914313	622486348	/nfs/dbraw/zinc/48/63/48/622486348.db2.gz	IZIGANTZTFVBGY-CMPLNLGQSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@]1(C)CC=CCC1)C(=O)[O-]	ZINC000910917146	622486731	/nfs/dbraw/zinc/48/67/31/622486731.db2.gz	MLXLJVTXIBKEFE-SWLSCSKDSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C\c1cccs1)C(=O)[O-]	ZINC000910918442	622487149	/nfs/dbraw/zinc/48/71/49/622487149.db2.gz	LHVXDOJTYAPCME-JLVNDZCYSA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc(C)c1C)C(=O)[O-]	ZINC000910917960	622487232	/nfs/dbraw/zinc/48/72/32/622487232.db2.gz	GRIFPYQNFNZXHO-CQSZACIVSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000910918415	622487328	/nfs/dbraw/zinc/48/73/28/622487328.db2.gz	JUGMUHOGXFSHHY-SNVBAGLBSA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1C[C@H]2CC[C@@H](C1)S2)C(=O)[O-]	ZINC000910922106	622487590	/nfs/dbraw/zinc/48/75/90/622487590.db2.gz	HASVARPRNGQCMW-PSEXLTFBSA-N	-1	0	297.420	2.586	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](OCC)C1CCCC1)C(=O)[O-]	ZINC000910923286	622487653	/nfs/dbraw/zinc/48/76/53/622487653.db2.gz	RRMPJBUFSYKHAT-KGLIPLIRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000910927144	622488767	/nfs/dbraw/zinc/48/87/67/622488767.db2.gz	XHHGJZIFEWJUMF-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)CCC)C(=O)[O-]	ZINC000910926932	622488839	/nfs/dbraw/zinc/48/88/39/622488839.db2.gz	WBKGYEKJBKSIGR-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910971552	622493071	/nfs/dbraw/zinc/49/30/71/622493071.db2.gz	PNMTZGATSXXUOV-LBPRGKRZSA-N	-1	0	291.347	2.719	20	30		CFEDRM
C=C1CCC(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1	ZINC000910990004	622496173	/nfs/dbraw/zinc/49/61/73/622496173.db2.gz	GSKDAVKGJPCPGP-CLFYSBASSA-N	-1	0	289.331	2.854	20	30		CFEDRM
CCCCCCCC(=O)NCCc1ncc(C(=O)[O-])s1	ZINC000911005642	622498227	/nfs/dbraw/zinc/49/82/27/622498227.db2.gz	AYTABFIIOBIVGT-UHFFFAOYSA-N	-1	0	298.408	2.861	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)c1	ZINC000911339479	622518653	/nfs/dbraw/zinc/51/86/53/622518653.db2.gz	MSJDAQUGWDBDBY-UHFFFAOYSA-N	-1	0	297.354	2.666	20	30		CFEDRM
C#CC1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000911406041	622520063	/nfs/dbraw/zinc/52/00/63/622520063.db2.gz	JLABSDHLGMOFFB-UHFFFAOYSA-N	-1	0	291.734	2.524	20	30		CFEDRM
C=C(C)[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675261	622533833	/nfs/dbraw/zinc/53/38/33/622533833.db2.gz	ALKWEMPZMCUTKO-XPTSAGLGSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911680713	622534465	/nfs/dbraw/zinc/53/44/65/622534465.db2.gz	FHURGAMTZWIYBT-SNVBAGLBSA-N	-1	0	295.310	2.752	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000911777677	622550613	/nfs/dbraw/zinc/55/06/13/622550613.db2.gz	SMNVMDRHCVRVJU-OAHLLOKOSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C[C@@H](NN=C1CC[C@H](C(=O)[O-])C[C@H]1C)c1ccncc1	ZINC000819819028	622564175	/nfs/dbraw/zinc/56/41/75/622564175.db2.gz	REVMXKPHGXNIJH-WZRBSPASSA-N	-1	0	275.352	2.609	20	30		CFEDRM
C[C@H](NN=C1CC[C@H](CC(=O)[O-])[C@H]1C)c1ccncc1	ZINC000819819201	622564350	/nfs/dbraw/zinc/56/43/50/622564350.db2.gz	UAGQVZIJMMOBQW-NTZNESFSSA-N	-1	0	275.352	2.609	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000820084250	622608797	/nfs/dbraw/zinc/60/87/97/622608797.db2.gz	KAHFJMPUZIXOTQ-GFCCVEGCSA-N	-1	0	295.404	2.796	20	30		CFEDRM
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(F)c1[O-]	ZINC000821299606	622888522	/nfs/dbraw/zinc/88/85/22/622888522.db2.gz	QALHYFXLMRHGDM-ZDUSSCGKSA-N	-1	0	291.322	2.671	20	30		CFEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000156641304	622952458	/nfs/dbraw/zinc/95/24/58/622952458.db2.gz	DYIHIUJOGDZYGO-VMPITWQZSA-N	-1	0	265.268	2.866	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(C)ccc1O	ZINC000156696298	622957466	/nfs/dbraw/zinc/95/74/66/622957466.db2.gz	YNDPAJNOGZHBMD-FNORWQNLSA-N	-1	0	256.305	2.937	20	30		CFEDRM
Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000046708562	623093599	/nfs/dbraw/zinc/09/35/99/623093599.db2.gz	RVPKBGBXNBCEIC-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1F	ZINC000046927895	623104658	/nfs/dbraw/zinc/10/46/58/623104658.db2.gz	WREGWFDBVHHOON-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(\C)c1cccc(F)c1)C(=O)[O-]	ZINC000823368905	623299890	/nfs/dbraw/zinc/29/98/90/623299890.db2.gz	AVONERQVIONPMY-MARXPDLDSA-N	-1	0	291.322	2.765	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(F)c1	ZINC000173943867	623375430	/nfs/dbraw/zinc/37/54/30/623375430.db2.gz	AYPCJMYGZNLJDJ-CQSZACIVSA-N	-1	0	290.338	2.763	20	30		CFEDRM
CC(=NOCC(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814904168	623453244	/nfs/dbraw/zinc/45/32/44/623453244.db2.gz	WFMJDUMLWBJRKV-QMMMGPOBSA-N	-1	0	251.273	2.925	20	30		CFEDRM
C/C(=C(\F)C(=O)[N-]Oc1cccc(C#N)c1)C1CC1	ZINC000913666674	623550851	/nfs/dbraw/zinc/55/08/51/623550851.db2.gz	HAICXAYRBYYNJP-UKTHLTGXSA-N	-1	0	260.268	2.622	20	30		CFEDRM
CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[nH]n2)o1	ZINC000825704933	623744050	/nfs/dbraw/zinc/74/40/50/623744050.db2.gz	QULWMDHRFREBTG-CLFYSBASSA-N	-1	0	294.314	2.918	20	30		CFEDRM
N#CCCCCNC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000826122975	623795866	/nfs/dbraw/zinc/79/58/66/623795866.db2.gz	AWEGAKIDUMGATL-UHFFFAOYSA-N	-1	0	275.333	2.540	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835008783	623931418	/nfs/dbraw/zinc/93/14/18/623931418.db2.gz	IYVNLFQRGPZOPV-TVQRCGJNSA-N	-1	0	282.315	2.983	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835008776	623931848	/nfs/dbraw/zinc/93/18/48/623931848.db2.gz	IYVNLFQRGPZOPV-NOZJJQNGSA-N	-1	0	282.315	2.983	20	30		CFEDRM
CCC(=NOC[C@H]1CCOC1)c1cc(C(=O)[O-])ccc1F	ZINC000788030507	623947298	/nfs/dbraw/zinc/94/72/98/623947298.db2.gz	OLEMYPUXFRKYCW-JTQLQIEISA-N	-1	0	295.310	2.691	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1ccccc1Cl	ZINC000828158420	624189330	/nfs/dbraw/zinc/18/93/30/624189330.db2.gz	UTKQABHMUZULSZ-LLVKDONJSA-N	-1	0	295.766	2.618	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(O)cc2)cc1	ZINC000915990959	624205105	/nfs/dbraw/zinc/20/51/05/624205105.db2.gz	UBXYOLIAQXYKPP-YHYXMXQVSA-N	-1	0	282.295	2.915	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H]3CCCC[C@H]3C2)[n-]c1=O	ZINC000916282415	624235857	/nfs/dbraw/zinc/23/58/57/624235857.db2.gz	DWBNFQXZLIEJEK-MNOVXSKESA-N	-1	0	275.356	2.644	20	30		CFEDRM
CC(C)=CCC[C@H](C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000916303522	624237565	/nfs/dbraw/zinc/23/75/65/624237565.db2.gz	KXGVSVTUROUHIG-NSHDSACASA-N	-1	0	294.424	2.842	20	30		CFEDRM
Cc1ccc(C)c(NN=Cc2c(O)c(C)ncc2CO)c1	ZINC000916346240	624240280	/nfs/dbraw/zinc/24/02/80/624240280.db2.gz	ZEADKFBFBFQVKU-UHFFFAOYSA-N	-1	0	285.347	2.651	20	30		CFEDRM
Cc1cc(C=NNc2[n-]cnc3ncnc2-3)c(C)n1C1CC1	ZINC000917554505	624358721	/nfs/dbraw/zinc/35/87/21/624358721.db2.gz	ANLCJYRBGBGZMU-UHFFFAOYSA-N	-1	0	295.350	2.552	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000917660035	624375008	/nfs/dbraw/zinc/37/50/08/624375008.db2.gz	QTXFKQILMXKYHN-UHFFFAOYSA-N	-1	0	266.684	2.526	20	30		CFEDRM
O=C([O-])c1cccc(NN=C2COc3ccc(F)cc32)c1	ZINC000918150613	624423450	/nfs/dbraw/zinc/42/34/50/624423450.db2.gz	BAEUVFOALPLARQ-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
C#CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1	ZINC000829788765	624538454	/nfs/dbraw/zinc/53/84/54/624538454.db2.gz	GJNONPJGMJYDMT-NSHDSACASA-N	-1	0	287.388	2.632	20	30		CFEDRM
CCC(CC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919224039	624542118	/nfs/dbraw/zinc/54/21/18/624542118.db2.gz	KBHBUOSEVCYESZ-LLVKDONJSA-N	-1	0	294.376	2.607	20	30		CFEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)CC(C)(C)C#N)c1	ZINC000830328687	624709835	/nfs/dbraw/zinc/70/98/35/624709835.db2.gz	SEJZNESKYLWXHW-UHFFFAOYSA-N	-1	0	278.283	2.612	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=CC=Cc1ccco1	ZINC000920370626	624716053	/nfs/dbraw/zinc/71/60/53/624716053.db2.gz	LGAKJOZNUXPXFZ-WLKZSJHPSA-N	-1	0	297.339	2.826	20	30		CFEDRM
C[C@@H](NN=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000920385674	624717106	/nfs/dbraw/zinc/71/71/06/624717106.db2.gz	FWBDDZVUWINCPB-LLVKDONJSA-N	-1	0	285.303	2.985	20	30		CFEDRM
CN(Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccccc1F	ZINC000830844518	624900051	/nfs/dbraw/zinc/90/00/51/624900051.db2.gz	BAZRKXXXHSBCAF-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000831042941	624955151	/nfs/dbraw/zinc/95/51/51/624955151.db2.gz	XYADQYRIJHDQQF-KGLIPLIRSA-N	-1	0	296.411	2.875	20	30		CFEDRM
Cc1scc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1C	ZINC000180741256	625037494	/nfs/dbraw/zinc/03/74/94/625037494.db2.gz	UZZFGHOTFRPRHV-LBPRGKRZSA-N	-1	0	290.388	2.746	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1	ZINC000851615307	634456614	/nfs/dbraw/zinc/45/66/14/634456614.db2.gz	AFHJRKJNCRXFQG-HNNXBMFYSA-N	-1	0	299.370	2.579	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000073086994	625772144	/nfs/dbraw/zinc/77/21/44/625772144.db2.gz	YXDDHCOZAUAZRR-UHFFFAOYSA-N	-1	0	273.741	2.951	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000851605363	634454044	/nfs/dbraw/zinc/45/40/44/634454044.db2.gz	HICQUAIZHIENRL-RJCSOLBVSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1	ZINC000851615606	634456979	/nfs/dbraw/zinc/45/69/79/634456979.db2.gz	DUCYKJKLCZFJRS-CRALRDPISA-N	-1	0	289.331	2.806	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834913173	625920315	/nfs/dbraw/zinc/92/03/15/625920315.db2.gz	VOFOWIZNJQIZGI-MFKMUULPSA-N	-1	0	264.325	2.844	20	30		CFEDRM
CCOC(=O)C(C)(C)ON=Cc1cccc(Cl)c1[O-]	ZINC000835005076	625952506	/nfs/dbraw/zinc/95/25/06/625952506.db2.gz	NFXMLZBOBPTVMU-UHFFFAOYSA-N	-1	0	285.727	2.738	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCSC2)cc1F	ZINC000835008131	625954972	/nfs/dbraw/zinc/95/49/72/625954972.db2.gz	BULLWFYFNVPOKS-UHFFFAOYSA-N	-1	0	268.313	2.819	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])c(F)c2)C[C@@H]1C	ZINC000835008829	625955102	/nfs/dbraw/zinc/95/51/02/625955102.db2.gz	JOZZUBSXMSRKKV-JGVFFNPUSA-N	-1	0	250.273	2.968	20	30		CFEDRM
O=C([O-])c1ccc(NNC=C2CC2(F)F)cc1F	ZINC000835009727	625957210	/nfs/dbraw/zinc/95/72/10/625957210.db2.gz	ZFVXCGDLTIGUMZ-ZCFIWIBFSA-N	-1	0	258.199	2.577	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085329154	626076582	/nfs/dbraw/zinc/07/65/82/626076582.db2.gz	OYDZPZCQYRWFJK-MNOVXSKESA-N	-1	0	264.712	2.877	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)COCc1ccccc1	ZINC000073837448	626395525	/nfs/dbraw/zinc/39/55/25/626395525.db2.gz	RGWWEBMOLGGZIK-UHFFFAOYSA-N	-1	0	299.392	2.678	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1	ZINC000923057844	626448047	/nfs/dbraw/zinc/44/80/47/626448047.db2.gz	IVBQCYIFZJDHOM-WUKHSURWSA-N	-1	0	272.304	2.663	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000923068868	626448307	/nfs/dbraw/zinc/44/83/07/626448307.db2.gz	LHYVTXWEBGRIMQ-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
N#C[C@@]1(C(=O)Nc2cccc(CC(=O)[O-])c2)CC12CCCC2	ZINC000923067248	626448914	/nfs/dbraw/zinc/44/89/14/626448914.db2.gz	UHBDPIYWWOGEND-QGZVFWFLSA-N	-1	0	298.342	2.726	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000923098128	626450971	/nfs/dbraw/zinc/45/09/71/626450971.db2.gz	GIEXUEDMRNUGCD-CYBMUJFWSA-N	-1	0	294.395	2.714	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCC1	ZINC000923105244	626451655	/nfs/dbraw/zinc/45/16/55/626451655.db2.gz	PKHKBYUXOBWFSX-QWHCGFSZSA-N	-1	0	284.315	2.507	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923123927	626452185	/nfs/dbraw/zinc/45/21/85/626452185.db2.gz	GUJQKQGNZHQNQS-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923186569	626455480	/nfs/dbraw/zinc/45/54/80/626455480.db2.gz	JWEBGVROLSEETQ-HNNXBMFYSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923191795	626455871	/nfs/dbraw/zinc/45/58/71/626455871.db2.gz	CIIVAUWIURZIQA-AWEZNQCLSA-N	-1	0	282.384	2.570	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21)c1ccccc1	ZINC000923201402	626456615	/nfs/dbraw/zinc/45/66/15/626456615.db2.gz	ORKRCPXABBJRNM-HSZNGYFJSA-N	-1	0	299.370	2.572	20	30		CFEDRM
CCCCCCCC(=O)N(CCC(=O)[O-])C1CC1	ZINC000102978898	626485544	/nfs/dbraw/zinc/48/55/44/626485544.db2.gz	NFOXMTQNWJKPRF-UHFFFAOYSA-N	-1	0	255.358	2.813	20	30		CFEDRM
N#Cc1ccccc1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000121326797	626488040	/nfs/dbraw/zinc/48/80/40/626488040.db2.gz	PIBOYFFTMGLTDY-VMPITWQZSA-N	-1	0	265.268	2.866	20	30		CFEDRM
CC[C@H](C)NN=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000790183966	626541894	/nfs/dbraw/zinc/54/18/94/626541894.db2.gz	XKWFTQHCMSTCBI-QMMMGPOBSA-N	-1	0	264.325	2.715	20	30		CFEDRM
C=CCCCCCCNS(=O)(=O)c1c(C)noc1C	ZINC000805105150	626542888	/nfs/dbraw/zinc/54/28/88/626542888.db2.gz	LNEAVXYYIJMOPK-UHFFFAOYSA-N	-1	0	286.397	2.706	20	30		CFEDRM
CC(CC1CCOCC1)N=Nc1cccc(C(=O)[O-])c1	ZINC000757560699	626555337	/nfs/dbraw/zinc/55/53/37/626555337.db2.gz	IEXCSPVKNWJOOX-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CC(=NOCC(F)F)c1cc(F)cc(F)c1[O-]	ZINC000758906949	626617351	/nfs/dbraw/zinc/61/73/51/626617351.db2.gz	PJCJDILOLALOPH-UHFFFAOYSA-N	-1	0	251.179	2.676	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOCC(F)F)c1[O-]	ZINC000758909980	626617411	/nfs/dbraw/zinc/61/74/11/626617411.db2.gz	GNIOAKHXMYEQMM-UHFFFAOYSA-N	-1	0	280.614	2.569	20	30		CFEDRM
N#CCCCCOC(=O)c1cc(F)c([O-])c(F)c1	ZINC000759545876	626669898	/nfs/dbraw/zinc/66/98/98/626669898.db2.gz	NGHCCGFXEWCGRE-UHFFFAOYSA-N	-1	0	255.220	2.521	20	30		CFEDRM
CC(C)c1ocnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713935	626687080	/nfs/dbraw/zinc/68/70/80/626687080.db2.gz	SVZIOZFOQAKWBF-UHFFFAOYSA-N	-1	0	271.276	2.628	20	30		CFEDRM
COc1cccc(F)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759720679	626687289	/nfs/dbraw/zinc/68/72/89/626687289.db2.gz	SGWYOZFKZBHLDG-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
Cc1cc(C)c(C=NNc2ccc(C(=O)[O-])cc2)[nH]1	ZINC000760217467	626720177	/nfs/dbraw/zinc/72/01/77/626720177.db2.gz	GPWFQCVAPJIVBM-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
CCc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)o1	ZINC000760230191	626721977	/nfs/dbraw/zinc/72/19/77/626721977.db2.gz	BTEIDJNVFNBNSE-UHFFFAOYSA-N	-1	0	290.270	2.623	20	30		CFEDRM
N#CC(=C([O-])C=CSc1ccccc1)c1ccncn1	ZINC000760337716	626736515	/nfs/dbraw/zinc/73/65/15/626736515.db2.gz	BHUKNMBPQAYMBD-FNOHHLHBSA-N	-1	0	281.340	2.959	20	30		CFEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])nc1	ZINC000761804849	626859802	/nfs/dbraw/zinc/85/98/02/626859802.db2.gz	SRYMDMSJSHKHGC-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C[C@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000762816905	626940201	/nfs/dbraw/zinc/94/02/01/626940201.db2.gz	DLGITVHLGSOORA-NGPGYTDTSA-N	-1	0	256.305	2.949	20	30		CFEDRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000763104460	626964009	/nfs/dbraw/zinc/96/40/09/626964009.db2.gz	FMQMVUYWKQWKCZ-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
CC(CCc1ccco1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371663	626983376	/nfs/dbraw/zinc/98/33/76/626983376.db2.gz	HCQXNEALEZZIQF-UHFFFAOYSA-N	-1	0	273.292	2.793	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(C)c1O	ZINC000763371052	626983743	/nfs/dbraw/zinc/98/37/43/626983743.db2.gz	YQNKXNLWUXCTEV-UHFFFAOYSA-N	-1	0	285.303	2.548	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2c[nH]c3ccc(F)cc23)nc1	ZINC000763371994	626983760	/nfs/dbraw/zinc/98/37/60/626983760.db2.gz	OTMYTVFNTJAGSV-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
COCc1ccc(C=NNc2ccc(C(=O)[O-])cc2)o1	ZINC000764642638	627079525	/nfs/dbraw/zinc/07/95/25/627079525.db2.gz	ZPAXCOITKMAJRO-UHFFFAOYSA-N	-1	0	274.276	2.570	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccccc2OCC(=O)[O-])c1	ZINC000764716197	627087698	/nfs/dbraw/zinc/08/76/98/627087698.db2.gz	VIXALFKEGCYAMU-UHFFFAOYSA-N	-1	0	298.342	2.582	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCCCC1CCOCC1	ZINC000764901133	627105474	/nfs/dbraw/zinc/10/54/74/627105474.db2.gz	SFAJQPXHPVMSIT-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C1CC(C(F)F)C1	ZINC000766020336	627172393	/nfs/dbraw/zinc/17/23/93/627172393.db2.gz	WGFQRVSETQKMIW-UHFFFAOYSA-N	-1	0	295.314	2.564	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000766424895	627202488	/nfs/dbraw/zinc/20/24/88/627202488.db2.gz	ROYGDCGZPMCODP-ZDUSSCGKSA-N	-1	0	262.309	2.742	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc2ccsc21	ZINC000767960592	627298159	/nfs/dbraw/zinc/29/81/59/627298159.db2.gz	UNUWDPNFLZDCJO-GFCCVEGCSA-N	-1	0	286.356	2.748	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=CCOCC2)n1	ZINC000768550201	627353666	/nfs/dbraw/zinc/35/36/66/627353666.db2.gz	BYFVBRCGVRUEPF-LLVKDONJSA-N	-1	0	276.361	2.789	20	30		CFEDRM
CC(C)c1nccnc1N=NC(C)c1ccc(C(=O)[O-])o1	ZINC000773072582	627778511	/nfs/dbraw/zinc/77/85/11/627778511.db2.gz	HZFJLEOBVBRPKJ-UHFFFAOYSA-N	-1	0	288.307	2.727	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C/c1cccc(C(=O)[O-])c1	ZINC000773161548	627790975	/nfs/dbraw/zinc/79/09/75/627790975.db2.gz	QWAJRVZZACGZFQ-VGOFMYFVSA-N	-1	0	290.278	2.749	20	30		CFEDRM
CCC(CC)CNN=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000774469139	627930419	/nfs/dbraw/zinc/93/04/19/627930419.db2.gz	DERWPAYEHGZQQS-GFCCVEGCSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC000775773381	628065553	/nfs/dbraw/zinc/06/55/53/628065553.db2.gz	ZWNGOOWDUSEHRW-JTQLQIEISA-N	-1	0	266.728	2.714	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000776195781	628115383	/nfs/dbraw/zinc/11/53/83/628115383.db2.gz	FTXLUIJAFLPUPA-UHFFFAOYSA-N	-1	0	276.292	2.823	20	30		CFEDRM
Cc1ncsc1C=CC(=O)[C@H](C#N)c1cc(C)nc(C)n1	ZINC000777292030	628212479	/nfs/dbraw/zinc/21/24/79/628212479.db2.gz	DXJNZMIOLZLORI-QMAVJUDZSA-N	-1	0	298.371	2.748	20	30		CFEDRM
COc1ccc(NN=Cc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000777443107	628226442	/nfs/dbraw/zinc/22/64/42/628226442.db2.gz	ISCMKOSSDVELMQ-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CC(=NOCCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000777459228	628228205	/nfs/dbraw/zinc/22/82/05/628228205.db2.gz	HIPVSHMBRHRXRA-UHFFFAOYSA-N	-1	0	292.213	2.993	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NOC2CCCCC2)c1	ZINC000777459759	628228292	/nfs/dbraw/zinc/22/82/92/628228292.db2.gz	UQSBALGEQLVVRN-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]OC1CCOCC1)c1ccccc1	ZINC000779100738	628352419	/nfs/dbraw/zinc/35/24/19/628352419.db2.gz	KFWUHTNIXTXMES-OAHLLOKOSA-N	-1	0	275.348	2.573	20	30		CFEDRM
CC[C@H]1C[C@H](CN=Nc2ccccc2C(=O)[O-])CCO1	ZINC000779768158	628401177	/nfs/dbraw/zinc/40/11/77/628401177.db2.gz	SIUSRZVWDBTRLM-NEPJUHHUSA-N	-1	0	276.336	2.988	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2ccc3n[nH]cc3c2)cc1[O-]	ZINC000779820434	628411141	/nfs/dbraw/zinc/41/11/41/628411141.db2.gz	IUFWSQAPBCJATR-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
CC(Cc1ccccc1F)N=Nc1ccc(C(=O)[O-])cn1	ZINC000780235184	628442144	/nfs/dbraw/zinc/44/21/44/628442144.db2.gz	FNCDAELYSSTTBS-UHFFFAOYSA-N	-1	0	287.294	2.949	20	30		CFEDRM
CC(N=Nc1ncncc1Cl)c1cccc(C(=O)[O-])c1	ZINC000780280356	628449970	/nfs/dbraw/zinc/44/99/70/628449970.db2.gz	WNTUOOCVVSWINK-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccccc1	ZINC000780689714	628487472	/nfs/dbraw/zinc/48/74/72/628487472.db2.gz	KMMHWGJARMFYRI-ZDUSSCGKSA-N	-1	0	290.363	2.856	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@]1(C)CCCO1	ZINC000782177709	628609707	/nfs/dbraw/zinc/60/97/07/628609707.db2.gz	UJFIWEOXYBZNGN-AWEZNQCLSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc3cnccc32)nc1	ZINC000782908491	628663031	/nfs/dbraw/zinc/66/30/31/628663031.db2.gz	UJYJWNYDAHZKHD-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
Cc1ccc(CCCCN=Nc2nnc(C)c(=O)[n-]2)cc1C	ZINC000783804450	628747014	/nfs/dbraw/zinc/74/70/14/628747014.db2.gz	BSSSYURIQVOGDV-UHFFFAOYSA-N	-1	0	299.378	2.923	20	30		CFEDRM
C#CCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000785415030	628881041	/nfs/dbraw/zinc/88/10/41/628881041.db2.gz	FMLGIYNOKFIJIF-UHFFFAOYSA-N	-1	0	292.294	2.528	20	30		CFEDRM
Cc1cc(C=NNc2ccccc2C(=O)[O-])sn1	ZINC000785450564	628884357	/nfs/dbraw/zinc/88/43/57/628884357.db2.gz	HPMCDOJOROOTMG-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC[C@H]1CCOC1	ZINC000786036647	628932270	/nfs/dbraw/zinc/93/22/70/628932270.db2.gz	LPZDWHUSIAOCQU-NSHDSACASA-N	-1	0	292.335	2.608	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)o1	ZINC000786538273	628967326	/nfs/dbraw/zinc/96/73/26/628967326.db2.gz	FFGUEZODZVIXRU-CQSZACIVSA-N	-1	0	296.326	2.535	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1	ZINC000786551252	628968464	/nfs/dbraw/zinc/96/84/64/628968464.db2.gz	WPVSXNWHDZJIRN-AWEZNQCLSA-N	-1	0	296.326	2.535	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1CC	ZINC000786652780	628972397	/nfs/dbraw/zinc/97/23/97/628972397.db2.gz	AUCIEXMZIUVOTE-LBPRGKRZSA-N	-1	0	295.404	2.656	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccccc1	ZINC000787072839	628991417	/nfs/dbraw/zinc/99/14/17/628991417.db2.gz	IJROGWDXROATGD-INIZCTEOSA-N	-1	0	292.338	2.668	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccsc1	ZINC000787072142	628991549	/nfs/dbraw/zinc/99/15/49/628991549.db2.gz	OOTFXMRQCNCGBE-CQSZACIVSA-N	-1	0	298.367	2.729	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2cncs2)c1	ZINC000787168951	628997006	/nfs/dbraw/zinc/99/70/06/628997006.db2.gz	JYCXAMKKRUOZJC-SNAWJCMRSA-N	-1	0	289.312	2.503	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(N=Nc2ccccn2)c2ccccc21	ZINC000788962297	629111207	/nfs/dbraw/zinc/11/12/07/629111207.db2.gz	CQZMWMBEORSDIV-CYBMUJFWSA-N	-1	0	281.315	2.860	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NO[C@H]2CCCCO2)c2ccccc21	ZINC000789035152	629119558	/nfs/dbraw/zinc/11/95/58/629119558.db2.gz	XVCNSYGYSQJRHF-ZFWWWQNUSA-N	-1	0	289.331	2.896	20	30		CFEDRM
Cc1ccc2nc(/C=C\C(=O)c3ccc(O)cc3[O-])cn2c1	ZINC000789142804	629129035	/nfs/dbraw/zinc/12/90/35/629129035.db2.gz	MDEVINRUMBJCSM-UTCJRWHESA-N	-1	0	294.310	2.950	20	30		CFEDRM
CC(=Cc1nc(Cl)cs1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000789829268	629190333	/nfs/dbraw/zinc/19/03/33/629190333.db2.gz	JMBHSQQYGHKCTR-UTCJRWHESA-N	-1	0	292.751	2.620	20	30		CFEDRM
CC[C@H](C)CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000791501947	629323228	/nfs/dbraw/zinc/32/32/28/629323228.db2.gz	FHEJULTXVDQRJZ-ONGXEEELSA-N	-1	0	294.376	2.607	20	30		CFEDRM
Cc1cc([C@H](C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1	ZINC000835061272	629365083	/nfs/dbraw/zinc/36/50/83/629365083.db2.gz	YHOFWLMETRWWAR-NNTXTVRGSA-N	-1	0	299.374	2.643	20	30		CFEDRM
CC[C@H](NN=C1CC2(CCC2)Oc2ccccc21)C(=O)[O-]	ZINC000793056709	629480710	/nfs/dbraw/zinc/48/07/10/629480710.db2.gz	WQSWQHOYDLDQCT-LBPRGKRZSA-N	-1	0	288.347	2.549	20	30		CFEDRM
CC[C@H](NN=C1CCOc2ccc(C(C)C)cc21)C(=O)[O-]	ZINC000793057130	629480744	/nfs/dbraw/zinc/48/07/44/629480744.db2.gz	LHERAHAUTXFHEF-ZDUSSCGKSA-N	-1	0	290.363	2.749	20	30		CFEDRM
CC[C@H](NN=Cc1c(OC)ccc2ccccc21)C(=O)[O-]	ZINC000793055573	629480813	/nfs/dbraw/zinc/48/08/13/629480813.db2.gz	ALRROUYHEOLWJS-AWEZNQCLSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(F)c(Cl)c1)C(=O)[O-]	ZINC000793055588	629480986	/nfs/dbraw/zinc/48/09/86/629480986.db2.gz	ANLBXDYIEUHQOG-LLVKDONJSA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000793055231	629481000	/nfs/dbraw/zinc/48/10/00/629481000.db2.gz	KERBCONEQXWZHQ-NSHDSACASA-N	-1	0	272.707	2.656	20	30		CFEDRM
CC[C@H](NN=C1CCSc2cc(C)c(C)cc21)C(=O)[O-]	ZINC000793058494	629481423	/nfs/dbraw/zinc/48/14/23/629481423.db2.gz	URNQEIFMCWOERQ-LBPRGKRZSA-N	-1	0	292.404	2.956	20	30		CFEDRM
CC[C@H](NN=C1CC(C)(C)Oc2cc(F)ccc21)C(=O)[O-]	ZINC000793059191	629481449	/nfs/dbraw/zinc/48/14/49/629481449.db2.gz	ZKUKOPYERHGCCU-NSHDSACASA-N	-1	0	294.326	2.544	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(CC(C)C)cc1)C(=O)[O-]	ZINC000793057960	629481526	/nfs/dbraw/zinc/48/15/26/629481526.db2.gz	SCXYTGJDTGCHOG-CQSZACIVSA-N	-1	0	262.353	2.672	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Oc2ccccc2)o1)C(=O)[O-]	ZINC000793057497	629481689	/nfs/dbraw/zinc/48/16/89/629481689.db2.gz	NNNHDIQVWBEBPV-ZDUSSCGKSA-N	-1	0	288.303	2.859	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000793072659	629482839	/nfs/dbraw/zinc/48/28/39/629482839.db2.gz	UJJPFNLYYIGVJC-NSHDSACASA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-]	ZINC000793071899	629482873	/nfs/dbraw/zinc/48/28/73/629482873.db2.gz	MTPGCOHTYZPLIW-STQMWFEESA-N	-1	0	278.327	2.902	20	30		CFEDRM
CC[C@H](NN=C1CCC2(CCCC2)CC1)C(=O)[O-]	ZINC000793071509	629483010	/nfs/dbraw/zinc/48/30/10/629483010.db2.gz	KLIITHUNQDYDTJ-LBPRGKRZSA-N	-1	0	252.358	2.930	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C)cc1Br)C(=O)[O-]	ZINC000793073430	629483575	/nfs/dbraw/zinc/48/35/75/629483575.db2.gz	VFIIOOLQWQIKLA-NSHDSACASA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H](c2ncccc2C)C1)C(=O)[O-]	ZINC000793073074	629483710	/nfs/dbraw/zinc/48/37/10/629483710.db2.gz	YDYJXYXXRGVMFH-GXTWGEPZSA-N	-1	0	289.379	2.856	20	30		CFEDRM
CC[C@H](NN=Cc1csc2ccccc12)C(=O)[O-]	ZINC000793073229	629483789	/nfs/dbraw/zinc/48/37/89/629483789.db2.gz	ZMEYYRVCYUOMJY-NSHDSACASA-N	-1	0	262.334	2.688	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc2ccc(C)cc2o1)C(=O)[O-]	ZINC000793072912	629483856	/nfs/dbraw/zinc/48/38/56/629483856.db2.gz	RCSXKUTXFPRPGN-LBPRGKRZSA-N	-1	0	274.320	2.918	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@H]1c1ccccc1)C(=O)[O-]	ZINC000793078048	629484552	/nfs/dbraw/zinc/48/45/52/629484552.db2.gz	LDHBIRYSQHETBB-STQMWFEESA-N	-1	0	260.337	2.763	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(Cl)s1	ZINC000793081181	629485270	/nfs/dbraw/zinc/48/52/70/629485270.db2.gz	IAWYFYOJNMYMEI-MRVPVSSYSA-N	-1	0	274.773	2.968	20	30		CFEDRM
CC[C@@H](NN=Cc1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000793081275	629485280	/nfs/dbraw/zinc/48/52/80/629485280.db2.gz	JBMUSHXSWFXNHC-SNVBAGLBSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](NN=C(C)CCc1ccc(F)cc1)C(=O)[O-]	ZINC000793080504	629485301	/nfs/dbraw/zinc/48/53/01/629485301.db2.gz	AZVADWZGSYLFQA-CYBMUJFWSA-N	-1	0	266.316	2.587	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(-c2cccnc2)c1)C(=O)[O-]	ZINC000793081261	629485305	/nfs/dbraw/zinc/48/53/05/629485305.db2.gz	IYJHEBAXTTWKLN-HNNXBMFYSA-N	-1	0	283.331	2.535	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NN[C@H](C)C(C)(C)C)c1)C(=O)[O-]	ZINC000793112038	629488577	/nfs/dbraw/zinc/48/85/77/629488577.db2.gz	NQUFMIANUSVZGB-VXGBXAGGSA-N	-1	0	292.379	2.897	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(OCCC(=O)[O-])c1)C(C)(C)C	ZINC000793116305	629489207	/nfs/dbraw/zinc/48/92/07/629489207.db2.gz	RVCAPTWDORDPMQ-GFCCVEGCSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000835234505	629546655	/nfs/dbraw/zinc/54/66/55/629546655.db2.gz	CFUXLBHXZISPAT-AGIUHOORSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1	ZINC000835244666	629558105	/nfs/dbraw/zinc/55/81/05/629558105.db2.gz	JOAUALGBNFATEH-UHFFFAOYSA-N	-1	0	295.404	2.827	20	30		CFEDRM
CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736100	629589616	/nfs/dbraw/zinc/58/96/16/629589616.db2.gz	VCQLMALGVUGMEV-AAEUAGOBSA-N	-1	0	290.363	2.780	20	30		CFEDRM
Cc1ccncc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000794448061	629648039	/nfs/dbraw/zinc/64/80/39/629648039.db2.gz	LPCCNIWXALLYJD-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CSCCON=C(C)c1cc(C(=O)[O-])ccc1C	ZINC000794574233	629663449	/nfs/dbraw/zinc/66/34/49/629663449.db2.gz	ZBTAISBQRANVHU-UHFFFAOYSA-N	-1	0	267.350	2.797	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccnc(F)c1	ZINC000794718595	629679107	/nfs/dbraw/zinc/67/91/07/629679107.db2.gz	BTTJFBHYSMFEBL-RQOWECAXSA-N	-1	0	288.234	2.731	20	30		CFEDRM
CCOC1CC(CN=Nc2ccccc2C(=O)[O-])C1	ZINC000794886738	629699422	/nfs/dbraw/zinc/69/94/22/629699422.db2.gz	CHVSEEUTDRDVFT-UHFFFAOYSA-N	-1	0	262.309	2.598	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CCCSC1	ZINC000794921780	629704471	/nfs/dbraw/zinc/70/44/71/629704471.db2.gz	FIHQGZAZQUNCDO-JTQLQIEISA-N	-1	0	294.376	2.934	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1	ZINC000835450443	629735029	/nfs/dbraw/zinc/73/50/29/629735029.db2.gz	ZWNWHIJSJIIMLS-JHJVBQTASA-N	-1	0	299.436	2.613	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncs2)cc1	ZINC000796747922	629959429	/nfs/dbraw/zinc/95/94/29/629959429.db2.gz	RNMFBFKBEXFWJG-LBPRGKRZSA-N	-1	0	299.355	2.667	20	30		CFEDRM
COc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1O	ZINC000797785281	630103448	/nfs/dbraw/zinc/10/34/48/630103448.db2.gz	YSFYDPDRNSWYBN-UHFFFAOYSA-N	-1	0	288.259	2.765	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(Cl)c1[O-]	ZINC000798041132	630144359	/nfs/dbraw/zinc/14/43/59/630144359.db2.gz	YAAKMQSTMULPLY-QMTHXVAHSA-N	-1	0	295.766	2.757	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)no1	ZINC000798230447	630169032	/nfs/dbraw/zinc/16/90/32/630169032.db2.gz	NLRHZIJOXHOLGD-NSCUHMNNSA-N	-1	0	265.215	2.863	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(C(F)(F)F)[nH]n2)cc1	ZINC000799463099	630311192	/nfs/dbraw/zinc/31/11/92/630311192.db2.gz	XVTJMZCKWVCGOG-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
COCC[C@@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000799864988	630348808	/nfs/dbraw/zinc/34/88/08/630348808.db2.gz	BIKQUYAXBKCLQJ-NSHDSACASA-N	-1	0	276.336	2.989	20	30		CFEDRM
C[C@@H]1CC[C@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000800809301	630406377	/nfs/dbraw/zinc/40/63/77/630406377.db2.gz	IPRDEAGSBLAZPM-MNOVXSKESA-N	-1	0	287.388	2.955	20	30		CFEDRM
C=CCCOC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-]	ZINC000801415012	630446014	/nfs/dbraw/zinc/44/60/14/630446014.db2.gz	RBEYLLYDRUFSMH-UHFFFAOYSA-N	-1	0	290.294	2.758	20	30		CFEDRM
C=CCCOC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC000801413640	630446176	/nfs/dbraw/zinc/44/61/76/630446176.db2.gz	GGBXIFVWFUSYSL-UHFFFAOYSA-N	-1	0	294.257	2.589	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2occ3c2CCC3)c1	ZINC000802891032	630560736	/nfs/dbraw/zinc/56/07/36/630560736.db2.gz	MZECUIUMDXLUJS-UHFFFAOYSA-N	-1	0	268.272	2.598	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cccc(Cl)c1[O-])C(C)(C)C	ZINC000807884341	630918904	/nfs/dbraw/zinc/91/89/04/630918904.db2.gz	YOPCIORDQOYLIV-LLVKDONJSA-N	-1	0	265.740	2.823	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@H]1SC	ZINC000807957887	630925997	/nfs/dbraw/zinc/92/59/97/630925997.db2.gz	BSDJLDATKNXHSZ-CHWSQXEVSA-N	-1	0	294.376	2.693	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1nccnc1C1CCC1	ZINC000807991481	630932920	/nfs/dbraw/zinc/93/29/20/630932920.db2.gz	MUTOMYFUMHZMRF-UHFFFAOYSA-N	-1	0	296.330	2.888	20	30		CFEDRM
C=CCO[N-]C(=O)COc1cc(C)ccc1C(C)C	ZINC000837042555	630942829	/nfs/dbraw/zinc/94/28/29/630942829.db2.gz	DOMSGNNUTXCFNV-UHFFFAOYSA-N	-1	0	263.337	2.731	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1	ZINC000837045299	630944255	/nfs/dbraw/zinc/94/42/55/630944255.db2.gz	ZFHMTGCWDGPLSQ-GFCCVEGCSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)c1ccc(Br)s1	ZINC000837048841	630946097	/nfs/dbraw/zinc/94/60/97/630946097.db2.gz	YQCSKXJJMSHKDP-ZETCQYMHSA-N	-1	0	290.182	2.848	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(C(C)(F)F)c1	ZINC000837296174	630992473	/nfs/dbraw/zinc/99/24/73/630992473.db2.gz	NCBNSOSCWJEVKZ-UHFFFAOYSA-N	-1	0	298.289	2.903	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C)cc1	ZINC000042247967	649997187	/nfs/dbraw/zinc/99/71/87/649997187.db2.gz	GMBXBMMUNKVZOH-UHFFFAOYSA-N	-1	0	283.349	2.697	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccoc2)c1	ZINC000042271650	649997409	/nfs/dbraw/zinc/99/74/09/649997409.db2.gz	CYZIGRMPTWHSQS-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000042242652	649996486	/nfs/dbraw/zinc/99/64/86/649996486.db2.gz	SLBZDOJSGYSDGF-UHFFFAOYSA-N	-1	0	253.323	2.606	20	30		CFEDRM
O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1cccnc1	ZINC000042323401	649997883	/nfs/dbraw/zinc/99/78/83/649997883.db2.gz	CHHGUFZZWSLJHA-AATRIKPKSA-N	-1	0	294.357	2.502	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCCCCC)CC1	ZINC000810983926	631491164	/nfs/dbraw/zinc/49/11/64/631491164.db2.gz	MCPJHZDGQMHPPF-UHFFFAOYSA-N	-1	0	287.425	2.902	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)c2ccccc12	ZINC000842289185	631580051	/nfs/dbraw/zinc/58/00/51/631580051.db2.gz	OKVVJEITZOKCPN-INIZCTEOSA-N	-1	0	294.354	2.995	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811822651	631628405	/nfs/dbraw/zinc/62/84/05/631628405.db2.gz	ISXYSDCUHYKQFU-UHFFFAOYSA-N	-1	0	267.712	2.686	20	30		CFEDRM
CC(=NOC1CCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000812237408	631674911	/nfs/dbraw/zinc/67/49/11/631674911.db2.gz	YSSSFGSQVGHGCC-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c(C(F)F)n1	ZINC000812243911	631679417	/nfs/dbraw/zinc/67/94/17/631679417.db2.gz	VLYXQUKUPCXECI-DJWKRKHSSA-N	-1	0	294.257	2.665	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)c1ccc2ccccc2c1	ZINC000812784674	631774346	/nfs/dbraw/zinc/77/43/46/631774346.db2.gz	BRHLADGHDRZUHS-LBPRGKRZSA-N	-1	0	253.301	2.624	20	30		CFEDRM
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]OC1CCC1	ZINC000812790329	631777578	/nfs/dbraw/zinc/77/75/78/631777578.db2.gz	ZOXMGSPYTUHFOB-OAHLLOKOSA-N	-1	0	288.347	2.562	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCCCCC(=O)C2)c1	ZINC000813501221	631927070	/nfs/dbraw/zinc/92/70/70/631927070.db2.gz	UAHVMIDCZOVAKF-GFCCVEGCSA-N	-1	0	286.331	2.742	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1	ZINC000814016886	631994982	/nfs/dbraw/zinc/99/49/82/631994982.db2.gz	SRINYVOQXQMBDW-CQSZACIVSA-N	-1	0	295.404	2.940	20	30		CFEDRM
C[C@H](Oc1ccc(C=NOCCC2CC2)cc1)C(=O)[O-]	ZINC000814246218	632044976	/nfs/dbraw/zinc/04/49/76/632044976.db2.gz	WIPXSZRARMPKQJ-NSHDSACASA-N	-1	0	277.320	2.689	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000843998909	632091911	/nfs/dbraw/zinc/09/19/11/632091911.db2.gz	IZLZTXGBGZWUNN-JTQLQIEISA-N	-1	0	279.286	2.546	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccccc1[N+](=O)[O-]	ZINC000814685490	632107779	/nfs/dbraw/zinc/10/77/79/632107779.db2.gz	IIWDPZSQDZJYPF-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
CCc1cnc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000814687658	632108756	/nfs/dbraw/zinc/10/87/56/632108756.db2.gz	PTYVUZZOZFMIAC-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000814687418	632108883	/nfs/dbraw/zinc/10/88/83/632108883.db2.gz	HSGIIZMDEGPOLD-QMMMGPOBSA-N	-1	0	250.323	2.678	20	30		CFEDRM
O=C([O-])c1cccc(NN=C2COc3cc(F)ccc32)c1	ZINC000814687550	632108913	/nfs/dbraw/zinc/10/89/13/632108913.db2.gz	KYMYZQSRMOJQEK-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc([N+](=O)[O-])c1	ZINC000814694289	632109511	/nfs/dbraw/zinc/10/95/11/632109511.db2.gz	DDPFFUZSUWCLNJ-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H](Cc3ccccc3)C2)[n-]c1=O	ZINC000814735066	632116103	/nfs/dbraw/zinc/11/61/03/632116103.db2.gz	OUUMJBYHZGGTAK-ZDUSSCGKSA-N	-1	0	297.362	2.696	20	30		CFEDRM
CC(=NNc1cnnc([O-])c1Cl)[C@@H]1CC1(C)C	ZINC000814782241	632122731	/nfs/dbraw/zinc/12/27/31/632122731.db2.gz	HRMZFQFQDAHUII-ZETCQYMHSA-N	-1	0	254.721	2.670	20	30		CFEDRM
CCON=C1CC(C(=O)[O-])(c2cccc(Cl)c2)C1	ZINC000814788247	632123717	/nfs/dbraw/zinc/12/37/17/632123717.db2.gz	KHHIJRXDWMRHDS-UHFFFAOYSA-N	-1	0	267.712	2.849	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc(C#N)c2)CC[C@H]1CC(=O)[O-]	ZINC000814787332	632123733	/nfs/dbraw/zinc/12/37/33/632123733.db2.gz	YVESSKCNUGYCAC-JQWIXIFHSA-N	-1	0	271.320	2.847	20	30		CFEDRM
CCCNN=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814804433	632127344	/nfs/dbraw/zinc/12/73/44/632127344.db2.gz	OWCCQORDYWLCQS-UHFFFAOYSA-N	-1	0	278.352	2.654	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cccc(F)c1	ZINC000814804691	632128243	/nfs/dbraw/zinc/12/82/43/632128243.db2.gz	BFYHCCZRUQFAHQ-ZYHUDNBSSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cccc(F)c1	ZINC000814804688	632128306	/nfs/dbraw/zinc/12/83/06/632128306.db2.gz	BFYHCCZRUQFAHQ-CMPLNLGQSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CC[C@@H]1C(=O)[O-]	ZINC000814831000	632133445	/nfs/dbraw/zinc/13/34/45/632133445.db2.gz	XQDNYRNBMFFGSH-PWSUYJOCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000814867702	632142199	/nfs/dbraw/zinc/14/21/99/632142199.db2.gz	CDVUPRMPCQFINX-CMPLNLGQSA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOCC(F)(F)F)CC2	ZINC000814880145	632146832	/nfs/dbraw/zinc/14/68/32/632146832.db2.gz	RUJCMCHWJWDFDA-UHFFFAOYSA-N	-1	0	287.237	2.808	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-]	ZINC000814882749	632147615	/nfs/dbraw/zinc/14/76/15/632147615.db2.gz	NRZRBNLXAZVJRJ-ABAIWWIYSA-N	-1	0	285.347	2.525	20	30		CFEDRM
Cc1cc2c(cc1C)C(N=Nc1ccc(C(=O)[O-])cn1)CO2	ZINC000814889906	632150817	/nfs/dbraw/zinc/15/08/17/632150817.db2.gz	CWPLKHKPKUUSSK-UHFFFAOYSA-N	-1	0	297.314	2.605	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC[C@H]2CCCO)nc1	ZINC000814890669	632150968	/nfs/dbraw/zinc/15/09/68/632150968.db2.gz	URIIBSUNVXJLBI-NSHDSACASA-N	-1	0	291.351	2.510	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H](CO)CCF	ZINC000844271079	632151108	/nfs/dbraw/zinc/15/11/08/632151108.db2.gz	LUZXIJKVHZIZCA-XDDINVHESA-N	-1	0	280.126	2.838	20	30		CFEDRM
CC(CCc1ccc(OCCC(=O)[O-])cc1)=NNC1CC1	ZINC000814903406	632156576	/nfs/dbraw/zinc/15/65/76/632156576.db2.gz	HYUQKFCTWBQRHO-UHFFFAOYSA-N	-1	0	290.363	2.601	20	30		CFEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC1CCOCC1	ZINC000814906258	632158210	/nfs/dbraw/zinc/15/82/10/632158210.db2.gz	MJUIIGHBRQCGGL-UHFFFAOYSA-N	-1	0	273.691	2.714	20	30		CFEDRM
CC(=NNc1ncccc1C)c1cc(C(=O)[O-])cs1	ZINC000814911550	632161500	/nfs/dbraw/zinc/16/15/00/632161500.db2.gz	NLSIVTJXSFUGFV-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814916266	632163263	/nfs/dbraw/zinc/16/32/63/632163263.db2.gz	DSXPHEJIUSREFW-CMPLNLGQSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814916270	632163650	/nfs/dbraw/zinc/16/36/50/632163650.db2.gz	DSXPHEJIUSREFW-ZYHUDNBSSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1cncnc1	ZINC000814926622	632167611	/nfs/dbraw/zinc/16/76/11/632167611.db2.gz	BIUNZHSGCUFZHQ-UHFFFAOYSA-N	-1	0	264.329	2.690	20	30		CFEDRM
C[C@H]1CC(N=Nc2cccc(F)n2)CC[C@H]1C(=O)[O-]	ZINC000814927699	632168223	/nfs/dbraw/zinc/16/82/23/632168223.db2.gz	AODKOCRQZLFXGW-WCBMZHEXSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ncccc1F	ZINC000814927075	632168285	/nfs/dbraw/zinc/16/82/85/632168285.db2.gz	WAVZSRXKHVNCOC-UHFFFAOYSA-N	-1	0	265.288	2.654	20	30		CFEDRM
C=C(C)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814932413	632169992	/nfs/dbraw/zinc/16/99/92/632169992.db2.gz	FAEXJQYVGSNSQP-WDEREUQCSA-N	-1	0	252.358	2.665	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC[C@H]2CCSC2)c1Cl	ZINC000814934907	632172765	/nfs/dbraw/zinc/17/27/65/632172765.db2.gz	DWJXFJMSYUXYIB-SECBINFHSA-N	-1	0	298.795	2.715	20	30		CFEDRM
C[C@H](COc1ccccc1)NN=C1CCC(C(=O)[O-])CC1	ZINC000814934451	632172876	/nfs/dbraw/zinc/17/28/76/632172876.db2.gz	VKEKZSNTSULEEQ-PZORYLMUSA-N	-1	0	290.363	2.674	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOC/C=C/Cl)C1	ZINC000814934767	632172949	/nfs/dbraw/zinc/17/29/49/632172949.db2.gz	YPCPQXWZAQQGDB-ZFCVXBDBSA-N	-1	0	279.723	2.928	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](c2ccccc2)C1)C(=O)[O-]	ZINC000814937327	632174513	/nfs/dbraw/zinc/17/45/13/632174513.db2.gz	BYOVXLXLYSXWLT-JSGCOSHPSA-N	-1	0	260.337	2.763	20	30		CFEDRM
C[C@H]1C(=NOCC2CC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814941182	632176400	/nfs/dbraw/zinc/17/64/00/632176400.db2.gz	PTXWSYDPEHFSHL-GXSJLCMTSA-N	-1	0	253.342	2.926	20	30		CFEDRM
Cc1c(C=NNCC(=O)[O-])sc2c1cccc2Cl	ZINC000814959836	632179522	/nfs/dbraw/zinc/17/95/22/632179522.db2.gz	FHYYQIVZIJATRS-UHFFFAOYSA-N	-1	0	282.752	2.871	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(-c2ccc(F)cc2)s1	ZINC000814959019	632179538	/nfs/dbraw/zinc/17/95/38/632179538.db2.gz	GUUMUKQTLNKDKU-UHFFFAOYSA-N	-1	0	292.335	2.952	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1	ZINC000814958384	632179607	/nfs/dbraw/zinc/17/96/07/632179607.db2.gz	PLZNIZCXHAVXJH-UHFFFAOYSA-N	-1	0	294.660	2.757	20	30		CFEDRM
C/C(C=NNCC(=O)[O-])=C/c1ccccc1C(F)(F)F	ZINC000814959299	632179738	/nfs/dbraw/zinc/17/97/38/632179738.db2.gz	ZAUZQQSLOYQFHW-MNXMZDCQSA-N	-1	0	286.253	2.769	20	30		CFEDRM
C=C[C@@H](C)ON=C(C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000844621793	632266141	/nfs/dbraw/zinc/26/61/41/632266141.db2.gz	NAKPGIURLTXMDL-MRVPVSSYSA-N	-1	0	250.254	2.616	20	30		CFEDRM
Cc1c(N=NC2CSC[C@H]2C)cccc1C(=O)[O-]	ZINC000844624095	632267860	/nfs/dbraw/zinc/26/78/60/632267860.db2.gz	UQHRZPJWAHRAAC-MRVPVSSYSA-N	-1	0	264.350	2.844	20	30		CFEDRM
CC(C)(C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000815711088	632314117	/nfs/dbraw/zinc/31/41/17/632314117.db2.gz	FGVYNIHLVFDSMX-XINAWCOVSA-N	-1	0	283.187	2.980	20	30		CFEDRM
CCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833952	632577315	/nfs/dbraw/zinc/57/73/15/632577315.db2.gz	JUGGPDSAHJEZBH-SNVBAGLBSA-N	-1	0	261.346	2.928	20	30		CFEDRM
CO[C@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845843112	632578301	/nfs/dbraw/zinc/57/83/01/632578301.db2.gz	XUQFEADXUJRVSS-KOLCDFICSA-N	-1	0	291.372	2.553	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C/C1CCCCCC1	ZINC000846118364	632639443	/nfs/dbraw/zinc/63/94/43/632639443.db2.gz	MUIDEASYMUNECM-MDZDMXLPSA-N	-1	0	265.353	2.612	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(CCCC)cc1	ZINC000846152946	632648858	/nfs/dbraw/zinc/64/88/58/632648858.db2.gz	VUZGWOJWOZVSDF-UHFFFAOYSA-N	-1	0	290.363	2.592	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccccc2Cl)CCC1	ZINC000846250083	632674639	/nfs/dbraw/zinc/67/46/39/632674639.db2.gz	WCQMGTPGGUUFNF-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](OC(C)C)c1ccccc1	ZINC000846533563	632723480	/nfs/dbraw/zinc/72/34/80/632723480.db2.gz	BJSBMOTXDZZWAH-CQSZACIVSA-N	-1	0	263.337	2.777	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(CC)(CC)C(=O)OC(C)(C)C	ZINC000846531495	632723663	/nfs/dbraw/zinc/72/36/63/632723663.db2.gz	CFDPLGVFPOIPAQ-UHFFFAOYSA-N	-1	0	285.384	2.758	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CN(CC)Cc1ccccc1Cl	ZINC000846533982	632723913	/nfs/dbraw/zinc/72/39/13/632723913.db2.gz	QQQQBQLPCMDKPN-UHFFFAOYSA-N	-1	0	296.798	2.786	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl	ZINC000846539212	632728621	/nfs/dbraw/zinc/72/86/21/632728621.db2.gz	RFZWUTBTPCUKEI-SECBINFHSA-N	-1	0	287.718	2.870	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(Cl)c(C)c1	ZINC000846541453	632730388	/nfs/dbraw/zinc/73/03/88/632730388.db2.gz	HEINYALXXQNVDR-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccccc1C(F)(F)F	ZINC000846543023	632732300	/nfs/dbraw/zinc/73/23/00/632732300.db2.gz	FROWERXWZALTEX-SECBINFHSA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(SC)cc1	ZINC000846544798	632732950	/nfs/dbraw/zinc/73/29/50/632732950.db2.gz	JMNSLLWKZHPTMA-QWRGUYRKSA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Oc1ccccc1C	ZINC000846544709	632733026	/nfs/dbraw/zinc/73/30/26/632733026.db2.gz	BYALHYBKOVHXFQ-OLZOCXBDSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cccc(Cl)c1C	ZINC000846545755	632733724	/nfs/dbraw/zinc/73/37/24/632733724.db2.gz	QNDYYIPQMBLHOG-VIFPVBQESA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1CCSc2ccccc21	ZINC000846545851	632734136	/nfs/dbraw/zinc/73/41/36/632734136.db2.gz	JAOGYYAFKROVNM-JQWIXIFHSA-N	-1	0	263.362	2.888	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)c1c(F)cccc1F	ZINC000846546944	632734908	/nfs/dbraw/zinc/73/49/08/632734908.db2.gz	HEBUHFIFDRQALN-DTWKUNHWSA-N	-1	0	255.264	2.691	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)c1cn(C)c2ccccc12	ZINC000846547024	632735021	/nfs/dbraw/zinc/73/50/21/632735021.db2.gz	AOXBKSQLICXGFG-RYUDHWBXSA-N	-1	0	272.348	2.904	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1c(F)cccc1F	ZINC000846546947	632735146	/nfs/dbraw/zinc/73/51/46/632735146.db2.gz	HEBUHFIFDRQALN-RKDXNWHRSA-N	-1	0	255.264	2.691	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cccc(OCC(C)C)c1	ZINC000846546977	632735403	/nfs/dbraw/zinc/73/54/03/632735403.db2.gz	HIENRTJWUCQNAH-CYBMUJFWSA-N	-1	0	293.363	2.723	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1F	ZINC000846551280	632738419	/nfs/dbraw/zinc/73/84/19/632738419.db2.gz	RIUJWAIDPCHKKR-SNVBAGLBSA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1SCCc2ccccc21	ZINC000846549895	632738533	/nfs/dbraw/zinc/73/85/33/632738533.db2.gz	ZZSLXUICVFRADY-MFKMUULPSA-N	-1	0	263.362	2.639	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc(OC)cc1	ZINC000846551679	632739360	/nfs/dbraw/zinc/73/93/60/632739360.db2.gz	XTOYZZCEQOURKS-WDEREUQCSA-N	-1	0	281.377	2.798	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CC23CC3)c1[O-]	ZINC000818992465	632925339	/nfs/dbraw/zinc/92/53/39/632925339.db2.gz	QMSSAKYSIFAWQL-WBERELSBSA-N	-1	0	266.684	2.925	20	30		CFEDRM
C#CCCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000847532799	632998243	/nfs/dbraw/zinc/99/82/43/632998243.db2.gz	SHODVLMUMJLUMA-UHFFFAOYSA-N	-1	0	271.238	2.554	20	30		CFEDRM
CC[C@@H]1C[C@H](CN=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848413640	633252453	/nfs/dbraw/zinc/25/24/53/633252453.db2.gz	BAFFGNIOMXVQJB-UKRRQHHQSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CO[C@@](C)(CN=Nc1ccc(CC(=O)[O-])cc1)C1CC1	ZINC000848413972	633252616	/nfs/dbraw/zinc/25/26/16/633252616.db2.gz	GOLODTPEKHDSFB-HNNXBMFYSA-N	-1	0	276.336	2.527	20	30		CFEDRM
C[C@]1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCS1	ZINC000848413976	633252896	/nfs/dbraw/zinc/25/28/96/633252896.db2.gz	GQDMERNIDJMUSG-CQSZACIVSA-N	-1	0	278.377	2.997	20	30		CFEDRM
COCC[C@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414546	633253302	/nfs/dbraw/zinc/25/33/02/633253302.db2.gz	OTBYEHGVACVEHD-CYBMUJFWSA-N	-1	0	290.363	2.918	20	30		CFEDRM
COCCC(N=Nc1ccc(CC(=O)[O-])cc1)C(C)C	ZINC000848415953	633253331	/nfs/dbraw/zinc/25/33/31/633253331.db2.gz	UGHHGOITWDMUDR-UHFFFAOYSA-N	-1	0	278.352	2.774	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)CC(C)C	ZINC000848414036	633253398	/nfs/dbraw/zinc/25/33/98/633253398.db2.gz	HZDDBXKDKNXQIE-CQSZACIVSA-N	-1	0	278.352	2.773	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415841	633253498	/nfs/dbraw/zinc/25/34/98/633253498.db2.gz	QQWDGSDHCQOHQQ-UHFFFAOYSA-N	-1	0	278.352	2.774	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cc(C(C)C)ccc1OC	ZINC000848710908	633321768	/nfs/dbraw/zinc/32/17/68/633321768.db2.gz	DVBZGUYYIAEMBV-UHFFFAOYSA-N	-1	0	277.364	2.891	20	30		CFEDRM
Cn1ncc(C2CCC2)c1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000849246796	633589992	/nfs/dbraw/zinc/58/99/92/633589992.db2.gz	LEAXTEIEAGQABW-FPLPWBNLSA-N	-1	0	298.342	2.995	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc(C(C)C)c(C)s1	ZINC000849336008	633620537	/nfs/dbraw/zinc/62/05/37/633620537.db2.gz	ICYPVDZPLNCDAC-UHFFFAOYSA-N	-1	0	286.422	2.730	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C2CC2)cc1	ZINC000850767671	634083213	/nfs/dbraw/zinc/08/32/13/634083213.db2.gz	FHUAPDHSHZQQAW-MRXNPFEDSA-N	-1	0	296.370	2.945	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)c1cccc(C2CCCC2)c1	ZINC000850912656	634135436	/nfs/dbraw/zinc/13/54/36/634135436.db2.gz	FJSPVQYBBUBQGM-UHFFFAOYSA-N	-1	0	293.388	2.590	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCCC(F)(F)F)cc1F	ZINC000853335682	634974007	/nfs/dbraw/zinc/97/40/07/634974007.db2.gz	CQKAXRWRIWVBDW-UHFFFAOYSA-N	-1	0	279.189	2.827	20	30		CFEDRM
CC[C@H](NN=C1CCC(=C2CCC2)CC1)C(=O)[O-]	ZINC000853348261	634979551	/nfs/dbraw/zinc/97/95/51/634979551.db2.gz	FFMWOYYZGNMSSM-ZDUSSCGKSA-N	-1	0	250.342	2.850	20	30		CFEDRM
CCc1cccc2cc(C=NN[C@H](CC)C(=O)[O-])oc21	ZINC000853348275	634979613	/nfs/dbraw/zinc/97/96/13/634979613.db2.gz	FSOPSGLGZNARHA-CYBMUJFWSA-N	-1	0	274.320	2.782	20	30		CFEDRM
CC[C@@H](NN=C1CCC(=C2CCC2)CC1)C(=O)[O-]	ZINC000853348260	634979806	/nfs/dbraw/zinc/97/98/06/634979806.db2.gz	FFMWOYYZGNMSSM-CYBMUJFWSA-N	-1	0	250.342	2.850	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853385455	634990635	/nfs/dbraw/zinc/99/06/35/634990635.db2.gz	YXEFXUYYFYWDPV-JTQLQIEISA-N	-1	0	264.300	2.732	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853385456	634990694	/nfs/dbraw/zinc/99/06/94/634990694.db2.gz	YXEFXUYYFYWDPV-SNVBAGLBSA-N	-1	0	264.300	2.732	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(C)(C)C	ZINC000854478250	635313254	/nfs/dbraw/zinc/31/32/54/635313254.db2.gz	GJFQWNYKJGBAOT-GFCCVEGCSA-N	-1	0	288.372	2.894	20	30		CFEDRM
C#C[C@](C)(CC)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000854697768	635369859	/nfs/dbraw/zinc/36/98/59/635369859.db2.gz	KUXJOSGTLCSSMQ-CQSZACIVSA-N	-1	0	274.345	2.648	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1c(C)cc(C)cc1C	ZINC000856028548	635704192	/nfs/dbraw/zinc/70/41/92/635704192.db2.gz	JHZFHUGJSSULQG-UHFFFAOYSA-N	-1	0	263.337	2.615	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000856028447	635704550	/nfs/dbraw/zinc/70/45/50/635704550.db2.gz	TVVQZZWBSIMZKO-CYBMUJFWSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000856028299	635704615	/nfs/dbraw/zinc/70/46/15/635704615.db2.gz	QDHSJJYPVCTJNV-MRXNPFEDSA-N	-1	0	295.379	2.679	20	30		CFEDRM
COc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1F	ZINC000156948441	650210742	/nfs/dbraw/zinc/21/07/42/650210742.db2.gz	OHEHIQDSSVIJMW-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1n[n-]c2ccccc2c1=O	ZINC000856374198	635799183	/nfs/dbraw/zinc/79/91/83/635799183.db2.gz	RKOSSQUIQOXREX-UHFFFAOYSA-N	-1	0	285.347	2.810	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708788	650222037	/nfs/dbraw/zinc/22/20/37/650222037.db2.gz	KOERINLYWHCSSZ-UHFFFAOYSA-N	-1	0	255.339	2.768	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCOCC2)cc1	ZINC000857206428	635946442	/nfs/dbraw/zinc/94/64/42/635946442.db2.gz	PUQULZOAAAZZST-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2nc3cccnc3s2)CC1	ZINC000857218523	635948927	/nfs/dbraw/zinc/94/89/27/635948927.db2.gz	RUOAVJMFWXYCMD-UHFFFAOYSA-N	-1	0	290.348	2.734	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000048476603	650268264	/nfs/dbraw/zinc/26/82/64/650268264.db2.gz	UUNSICADBIPBJX-JTQLQIEISA-N	-1	0	287.406	2.700	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000048474104	650268646	/nfs/dbraw/zinc/26/86/46/650268646.db2.gz	OMBZRTFDQQSEHF-SECBINFHSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CCOCC(C)C)c1	ZINC000048511889	650269565	/nfs/dbraw/zinc/26/95/65/650269565.db2.gz	JJNNIUCYSODYFS-UHFFFAOYSA-N	-1	0	299.392	2.703	20	30		CFEDRM
O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518363	650269899	/nfs/dbraw/zinc/26/98/99/650269899.db2.gz	XNBYOUSEZLUWJD-CHOZFAJLSA-N	-1	0	295.360	2.513	20	30		CFEDRM
O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518364	650270000	/nfs/dbraw/zinc/27/00/00/650270000.db2.gz	XNBYOUSEZLUWJD-AORWBKJGSA-N	-1	0	295.360	2.513	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1sccc1CC	ZINC000049004187	650285241	/nfs/dbraw/zinc/28/52/41/650285241.db2.gz	YLOKFLVUDPLRNB-UHFFFAOYSA-N	-1	0	275.395	2.745	20	30		CFEDRM
CCc1[nH]nc(Cl)c1C([O-])=C(C#N)c1nc(C)cs1	ZINC000860449726	636886892	/nfs/dbraw/zinc/88/68/92/636886892.db2.gz	GLPXSNQGOHRIAA-ZETCQYMHSA-N	-1	0	294.767	2.881	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(F)F)o1	ZINC000860478398	636893610	/nfs/dbraw/zinc/89/36/10/636893610.db2.gz	XHPXTDAMAYNKBN-SECBINFHSA-N	-1	0	296.273	2.598	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)OCc1ccc(C)cc1	ZINC000862133331	637278739	/nfs/dbraw/zinc/27/87/39/637278739.db2.gz	YAYKUHVPQZDSBT-CHWSQXEVSA-N	-1	0	263.337	2.522	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C/c1cccc(OCC(=O)[O-])c1	ZINC000119012770	637459318	/nfs/dbraw/zinc/45/93/18/637459318.db2.gz	VXWROMUSFOMQLQ-AATRIKPKSA-N	-1	0	286.283	2.948	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCCCO1	ZINC000863118499	637563344	/nfs/dbraw/zinc/56/33/44/637563344.db2.gz	ZFTBKLIWUBREJY-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
Cc1cnccc1N=NC(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000863158053	637571552	/nfs/dbraw/zinc/57/15/52/637571552.db2.gz	MZSIJEUQVOFIMZ-NSHDSACASA-N	-1	0	277.368	2.881	20	30		CFEDRM
CCCCCCCNC(=O)C1(C(=O)[O-])CCCC1	ZINC000864159488	637896609	/nfs/dbraw/zinc/89/66/09/637896609.db2.gz	VCLZHTXHZOUDCL-UHFFFAOYSA-N	-1	0	255.358	2.718	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000864160454	637896635	/nfs/dbraw/zinc/89/66/35/637896635.db2.gz	MHWCQCBFICJMLD-JOCQHMNTSA-N	-1	0	269.385	2.964	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000864183785	637906604	/nfs/dbraw/zinc/90/66/04/637906604.db2.gz	MLROFUIVXMPTSK-JLLWLGSASA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1cccs1)C(=O)[O-]	ZINC000864182682	637906676	/nfs/dbraw/zinc/90/66/76/637906676.db2.gz	CNADODWJUMXKPX-BDAKNGLRSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000864185189	637907121	/nfs/dbraw/zinc/90/71/21/637907121.db2.gz	VWEOEIFRZHIPMM-JTQLQIEISA-N	-1	0	275.776	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000864185796	637907274	/nfs/dbraw/zinc/90/72/74/637907274.db2.gz	CHEWXBPDNVQXRA-MNOVXSKESA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000864184671	637907507	/nfs/dbraw/zinc/90/75/07/637907507.db2.gz	RWEYZYWGUZRJQK-QWRGUYRKSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000864186179	637908297	/nfs/dbraw/zinc/90/82/97/637908297.db2.gz	KGDWZSYOLNVOSY-GDPRMGEGSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000864186483	637908408	/nfs/dbraw/zinc/90/84/08/637908408.db2.gz	QMTZPQWODKZZFJ-JTQLQIEISA-N	-1	0	299.754	2.730	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000864186823	637908468	/nfs/dbraw/zinc/90/84/68/637908468.db2.gz	YEZZECWZGOZGBY-CYBMUJFWSA-N	-1	0	293.750	2.890	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000864186704	637908723	/nfs/dbraw/zinc/90/87/23/637908723.db2.gz	VOUBFSSSRQYACU-HBNTYKKESA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=CCCC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000864197468	637912852	/nfs/dbraw/zinc/91/28/52/637912852.db2.gz	ZWJGDPZYUMKXQW-OAHLLOKOSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000864529015	638013771	/nfs/dbraw/zinc/01/37/71/638013771.db2.gz	BLURXUZXIKNLRP-NSHDSACASA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)NCCC(C)(C)CC)C(=O)[O-]	ZINC000864539990	638018960	/nfs/dbraw/zinc/01/89/60/638018960.db2.gz	RGPNZIVWFWBCGC-SNVBAGLBSA-N	-1	0	290.791	2.708	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000076766404	650401809	/nfs/dbraw/zinc/40/18/09/650401809.db2.gz	QFVCAQQSEMLOCA-JTQLQIEISA-N	-1	0	280.349	2.640	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])CC(C)C)c1ccccc1	ZINC000190716276	650454875	/nfs/dbraw/zinc/45/48/75/650454875.db2.gz	PUTLNTQODCOUKF-AWEZNQCLSA-N	-1	0	289.375	2.916	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)s2)C(=O)O1	ZINC000122150369	638943645	/nfs/dbraw/zinc/94/36/45/638943645.db2.gz	YMPYRWZEGLTCQB-FXMSTWTQSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)OCc1cccc(C)c1	ZINC000869154094	639050329	/nfs/dbraw/zinc/05/03/29/639050329.db2.gz	LWYCJEDEXDSBOS-STQMWFEESA-N	-1	0	263.337	2.522	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](CC)c1ccccc1	ZINC000191256435	650485603	/nfs/dbraw/zinc/48/56/03/650485603.db2.gz	FRJLYNQMJDSSOI-CYBMUJFWSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C	ZINC000191256784	650485694	/nfs/dbraw/zinc/48/56/94/650485694.db2.gz	LMEVLWSSONGLPV-ZDUSSCGKSA-N	-1	0	275.348	2.588	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1oc2c(cccc2C)c1C	ZINC000191256053	650485736	/nfs/dbraw/zinc/48/57/36/650485736.db2.gz	WIQNQGOWSUTMPD-UHFFFAOYSA-N	-1	0	287.315	2.762	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(CC)cc1	ZINC000191253179	650486024	/nfs/dbraw/zinc/48/60/24/650486024.db2.gz	GXQKCZPGSAKTPD-ZDUSSCGKSA-N	-1	0	289.375	2.842	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000122698342	639341219	/nfs/dbraw/zinc/34/12/19/639341219.db2.gz	VLPZAUQURJYLDH-SNAWJCMRSA-N	-1	0	280.686	2.814	20	30		CFEDRM
CCN(C)c1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cn1	ZINC000191319078	650490147	/nfs/dbraw/zinc/49/01/47/650490147.db2.gz	WYYIGZSSHPXURZ-XBXARRHUSA-N	-1	0	298.342	2.845	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCC1CCCCC1	ZINC000123107739	639620211	/nfs/dbraw/zinc/62/02/11/639620211.db2.gz	LMCVCXRRSGSIQZ-CYBMUJFWSA-N	-1	0	287.363	2.672	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@H]2CCCCCC(=O)C2)c1	ZINC000870691036	639773622	/nfs/dbraw/zinc/77/36/22/639773622.db2.gz	YCXZNFGSGRRMDK-CYBMUJFWSA-N	-1	0	286.331	2.508	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2noc3c2CCCCC3)c1	ZINC000870691457	639774325	/nfs/dbraw/zinc/77/43/25/639774325.db2.gz	LUPAXEILBJKNSD-UHFFFAOYSA-N	-1	0	297.314	2.539	20	30		CFEDRM
CC[C@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000079149677	650564747	/nfs/dbraw/zinc/56/47/47/650564747.db2.gz	WSRFOMLQVYFBLB-LBPRGKRZSA-N	-1	0	299.392	2.847	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C2CCC2)cc1	ZINC000192916614	650609493	/nfs/dbraw/zinc/60/94/93/650609493.db2.gz	XODRATQOTLZDCC-UHFFFAOYSA-N	-1	0	273.332	2.667	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C(C)(C)CCCCC)CC1	ZINC000870834181	641091907	/nfs/dbraw/zinc/09/19/07/641091907.db2.gz	QTXBFDGINUFXQM-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
CCOC1CC2(C[C@@H]2/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871598222	641363472	/nfs/dbraw/zinc/36/34/72/641363472.db2.gz	JBIWVYLUBXZMHP-MFSPXGFNSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(C2CCC2)cc1	ZINC000872331457	641758294	/nfs/dbraw/zinc/75/82/94/641758294.db2.gz	JGNDNSTYZBRJON-UHFFFAOYSA-N	-1	0	297.362	2.989	20	30		CFEDRM
O=C([O-])c1cccc2c1C(=NO[C@@H]1CCCCO1)CC2	ZINC000872360977	641767969	/nfs/dbraw/zinc/76/79/69/641767969.db2.gz	XPUOYCZZISUWPQ-CYBMUJFWSA-N	-1	0	275.304	2.578	20	30		CFEDRM
Cc1c(NN=Cc2cn(C3CC3)cn2)cccc1C(=O)[O-]	ZINC000872386781	641785440	/nfs/dbraw/zinc/78/54/40/641785440.db2.gz	BVDKEPQZFAJKJZ-UHFFFAOYSA-N	-1	0	284.319	2.671	20	30		CFEDRM
Cc1c(N=NC2CCC[C@@H]2F)cccc1C(=O)[O-]	ZINC000872386770	641785899	/nfs/dbraw/zinc/78/58/99/641785899.db2.gz	BCFLTMOGJLOJRK-JTQLQIEISA-N	-1	0	250.273	2.983	20	30		CFEDRM
C[C@@H]1C(N=NC[C@@H]2CCCC2(F)F)CC[C@H]1CC(=O)[O-]	ZINC000872406087	641794758	/nfs/dbraw/zinc/79/47/58/641794758.db2.gz	HJAWZUPFNQENOL-DCAQKATOSA-N	-1	0	288.338	2.888	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC[C@H]2CCCC2(F)F)cc1	ZINC000872410261	641798856	/nfs/dbraw/zinc/79/88/56/641798856.db2.gz	LKQYCZKWWRHQKO-GFCCVEGCSA-N	-1	0	282.290	2.744	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)CC(C)(C)C(=O)[O-]	ZINC000872752405	641921650	/nfs/dbraw/zinc/92/16/50/641921650.db2.gz	MBMVCYMVGJGEJU-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@](C)(CC)CC(=O)[O-])c1ccccc1	ZINC000872852160	641951348	/nfs/dbraw/zinc/95/13/48/641951348.db2.gz	KRWNJKYYXUZNBL-RHSMWYFYSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C#CCN(C(=O)[C@@](C)(CC)CC(=O)[O-])C1CCCCC1	ZINC000872914823	641962461	/nfs/dbraw/zinc/96/24/61/641962461.db2.gz	QYLRSOUTXHDOLS-INIZCTEOSA-N	-1	0	279.380	2.672	20	30		CFEDRM
C=C1CCN(C(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000872965099	641972834	/nfs/dbraw/zinc/97/28/34/641972834.db2.gz	ARKKFYBVWPAJAW-SFHVURJKSA-N	-1	0	299.370	2.524	20	30		CFEDRM
Cc1cc(F)c(C#N)cc1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000873005135	641982599	/nfs/dbraw/zinc/98/25/99/641982599.db2.gz	QSISAPSAKLAMIP-UHFFFAOYSA-N	-1	0	292.310	2.835	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CCCC	ZINC000193984572	650711670	/nfs/dbraw/zinc/71/16/70/650711670.db2.gz	SXKJXGWFZJTJKA-UHFFFAOYSA-N	-1	0	263.403	2.593	20	30		CFEDRM
CO[C@H](C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000195491162	650754657	/nfs/dbraw/zinc/75/46/57/650754657.db2.gz	IOZMQPAMFLVSJU-MFKMUULPSA-N	-1	0	298.342	2.793	20	30		CFEDRM
N#Cc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)cc1	ZINC000874969387	642566577	/nfs/dbraw/zinc/56/65/77/642566577.db2.gz	NOYAPFVBYDLFIF-UHFFFAOYSA-N	-1	0	251.241	2.736	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl	ZINC000085328931	650788075	/nfs/dbraw/zinc/78/80/75/650788075.db2.gz	HPSFBLICTYZGNM-PWSUYJOCSA-N	-1	0	264.712	2.877	20	30		CFEDRM
CCc1ccsc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086054652	650794753	/nfs/dbraw/zinc/79/47/53/650794753.db2.gz	VVBDHJZKOAIDMX-UHFFFAOYSA-N	-1	0	287.406	2.888	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)c1	ZINC000088800240	650820015	/nfs/dbraw/zinc/82/00/15/650820015.db2.gz	NWLDMVOEJYRHLZ-GFCCVEGCSA-N	-1	0	297.376	2.599	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)CC1CCCCC1	ZINC000088808111	650820539	/nfs/dbraw/zinc/82/05/39/650820539.db2.gz	ROHMSVCMTMSIGT-UHFFFAOYSA-N	-1	0	271.382	2.963	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000089963729	650860048	/nfs/dbraw/zinc/86/00/48/650860048.db2.gz	ZNLGNEVPTHYFPR-WTKPLQERSA-N	-1	0	253.323	2.606	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000089979555	650860953	/nfs/dbraw/zinc/86/09/53/650860953.db2.gz	SWAJUUCAAKGSLH-WTKPLQERSA-N	-1	0	271.313	2.746	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnc(Cl)c2F)c1	ZINC000127137657	643908303	/nfs/dbraw/zinc/90/83/03/643908303.db2.gz	QNUYYRKRORPPTR-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc2ccccc21	ZINC000092463057	650920623	/nfs/dbraw/zinc/92/06/23/650920623.db2.gz	CNLBQIFGBVGOIK-UHFFFAOYSA-N	-1	0	269.300	2.553	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccnc2)CC2(CCC2)C1	ZINC000880229071	644589331	/nfs/dbraw/zinc/58/93/31/644589331.db2.gz	RGXQDCBUQNFBEB-UHFFFAOYSA-N	-1	0	272.348	2.517	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H]2CCCS2)c1	ZINC000129343873	645160529	/nfs/dbraw/zinc/16/05/29/645160529.db2.gz	BHZQBGJDVUOZBW-ZTFCMROMSA-N	-1	0	266.322	2.615	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc3ccccc3o2)C(=O)O1	ZINC000131078862	645620479	/nfs/dbraw/zinc/62/04/79/645620479.db2.gz	VTQVIEZHDGWZBZ-MOEXGYKKSA-N	-1	0	296.278	2.661	20	30		CFEDRM
CCc1oc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000133726890	646217087	/nfs/dbraw/zinc/21/70/87/646217087.db2.gz	LLZHLPWAEOTNHI-UHFFFAOYSA-N	-1	0	270.288	2.980	20	30		CFEDRM
CC1(C)CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])OC1	ZINC000887268819	647255933	/nfs/dbraw/zinc/25/59/33/647255933.db2.gz	VYDIKDGMNDKYNP-WJHGTXIHSA-N	-1	0	292.335	2.925	20	30		CFEDRM
N#Cc1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])ccc1C1CC1	ZINC000887315917	647267445	/nfs/dbraw/zinc/26/74/45/647267445.db2.gz	FLMWLWZBNQNBMV-HUUCEWRRSA-N	-1	0	298.342	2.875	20	30		CFEDRM
C=C1CCC(C(=O)NCc2cccc(C(=O)[O-])c2)CC1	ZINC000887325081	647271548	/nfs/dbraw/zinc/27/15/48/647271548.db2.gz	FKEQACWQDGTJDN-UHFFFAOYSA-N	-1	0	273.332	2.747	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1	ZINC000887327188	647273103	/nfs/dbraw/zinc/27/31/03/647273103.db2.gz	ZLIJMWOSEGIQMJ-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000302459666	647407631	/nfs/dbraw/zinc/40/76/31/647407631.db2.gz	DRKZNSNOKIRHDI-QWHCGFSZSA-N	-1	0	269.385	2.916	20	30		CFEDRM
CC[C@@H]([NH2+]Cc1cc(C)no1)c1cccc(C#N)c1[O-]	ZINC000924957880	648080258	/nfs/dbraw/zinc/08/02/58/648080258.db2.gz	BBWGIQLIICYJJJ-CQSZACIVSA-N	-1	0	271.320	2.801	20	30		CFEDRM
C=CCC[C@@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926464103	648497104	/nfs/dbraw/zinc/49/71/04/648497104.db2.gz	QNYCLTDCDCFTMA-WDEREUQCSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000929010569	648973903	/nfs/dbraw/zinc/97/39/03/648973903.db2.gz	DSLKWHURHWATGG-WBMJQRKESA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@](C)(CCC)C(=O)[O-])cc1	ZINC000036337753	649586601	/nfs/dbraw/zinc/58/66/01/649586601.db2.gz	ISTWXVXONNYWBT-MRXNPFEDSA-N	-1	0	291.347	2.625	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cnc3ccccc3n2)cc1	ZINC000254310543	651086321	/nfs/dbraw/zinc/08/63/21/651086321.db2.gz	XGRXKCALDQQDDR-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
COC(=O)c1ccc(-c2cc(F)cc(F)c2[O-])c(C#N)c1	ZINC001243502983	782237941	/nfs/dbraw/zinc/23/79/41/782237941.db2.gz	CVZNVXYGDMOHQY-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cc(F)cc(F)c2[O-])n1	ZINC001243499840	782235111	/nfs/dbraw/zinc/23/51/11/782235111.db2.gz	GDDWSYALQWUHEN-UHFFFAOYSA-N	-1	0	279.271	2.721	20	30		CFEDRM
COc1nc(-c2cc(F)cc(F)c2[O-])c(F)cc1C#N	ZINC001243502826	782239296	/nfs/dbraw/zinc/23/92/96/782239296.db2.gz	BTOCWOFOQPPVGR-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])c(F)c2F)c1C#N	ZINC001243508143	782244894	/nfs/dbraw/zinc/24/48/94/782244894.db2.gz	BHOXQYIQBKQCRM-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COC(=O)c1cc(-c2cc(F)cc(F)c2[O-])ccc1C#N	ZINC001243505388	782241526	/nfs/dbraw/zinc/24/15/26/782241526.db2.gz	RUIFAIWCYZWVSN-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
N#Cc1ccc(-c2c(F)cc([O-])cc2F)nc1F	ZINC001241120413	782252070	/nfs/dbraw/zinc/25/20/70/782252070.db2.gz	STXGUWYIASNRFY-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
C#Cc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1	ZINC001210114259	770211173	/nfs/dbraw/zinc/21/11/73/770211173.db2.gz	AAXRMQUPGBMTFU-UHFFFAOYSA-N	-1	0	273.313	2.658	20	30		CFEDRM
N#Cc1ccc(O)c(Nc2ccccc2C(=O)[O-])c1	ZINC001210967707	770407173	/nfs/dbraw/zinc/40/71/73/770407173.db2.gz	SVBYSZAIGZBLMR-UHFFFAOYSA-N	-1	0	254.245	2.706	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCCCCCC1	ZINC000178473825	770814364	/nfs/dbraw/zinc/81/43/64/770814364.db2.gz	TXZLUKQFYQHRFI-CYBMUJFWSA-N	-1	0	287.363	2.672	20	30		CFEDRM
C=C1CCC(CNC(=O)CC(C)(C)CC(=O)[O-])CC1	ZINC000724458359	770888119	/nfs/dbraw/zinc/88/81/19/770888119.db2.gz	XTPHHGUKGFHOJC-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
COc1cnc(F)c(Nc2scc([O-])c2C#N)c1	ZINC001216407284	770906771	/nfs/dbraw/zinc/90/67/71/770906771.db2.gz	FOFLVKSWFMZYMR-UHFFFAOYSA-N	-1	0	265.269	2.612	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000588534750	770949573	/nfs/dbraw/zinc/94/95/73/770949573.db2.gz	GOKUSCGOGYUKQU-HYXAFXHYSA-N	-1	0	280.686	2.814	20	30		CFEDRM
Cn1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cn1	ZINC000588559761	773207562	/nfs/dbraw/zinc/20/75/62/773207562.db2.gz	FOELCWNMHHSXEE-WAYWQWQTSA-N	-1	0	290.706	2.668	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1NC(=NO)c1ccccc1N	ZINC001211624834	775303183	/nfs/dbraw/zinc/30/31/83/775303183.db2.gz	VVFXUTHXGVSUIL-UHFFFAOYSA-N	-1	0	285.303	2.523	20	30		CFEDRM
C=CC[C@H](OCCCS(=O)(=O)[O-])c1ccccc1	ZINC001224898188	775303009	/nfs/dbraw/zinc/30/30/09/775303009.db2.gz	JOQAGWZZIJSYGX-ZDUSSCGKSA-N	-1	0	270.350	2.598	20	30		CFEDRM
C=C(C)C[C@H](OCCCC[P@@](=O)([O-])O)C(=C)C	ZINC001225019661	775337328	/nfs/dbraw/zinc/33/73/28/775337328.db2.gz	ZMYFHXCHQHHDTK-LBPRGKRZSA-N	-1	0	262.286	2.872	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516402	775488002	/nfs/dbraw/zinc/48/80/02/775488002.db2.gz	ZWEGIKGOHMEGSC-LBPRGKRZSA-N	-1	0	282.361	2.894	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1nc(=O)[nH]cc1C(F)(F)F	ZINC001225576464	775507319	/nfs/dbraw/zinc/50/73/19/775507319.db2.gz	IRVHWPIQCGBDNH-MRVPVSSYSA-N	-1	0	274.242	2.772	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[nH]c(=O)ncc1C(F)(F)F	ZINC001225577121	775507741	/nfs/dbraw/zinc/50/77/41/775507741.db2.gz	SUBODQWXLPOCMT-ZETCQYMHSA-N	-1	0	262.231	2.935	20	30		CFEDRM
C=CCC[C@H](CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-]	ZINC001225664293	775546692	/nfs/dbraw/zinc/54/66/92/775546692.db2.gz	MKQAVCWVJORMGJ-VIFPVBQESA-N	-1	0	252.270	2.819	20	30		CFEDRM
C[C@H](CS)Oc1c(F)c(F)c([O-])c(F)c1F	ZINC001225886203	775623830	/nfs/dbraw/zinc/62/38/30/775623830.db2.gz	UKSAVMYVJMOGCL-GSVOUGTGSA-N	-1	0	256.220	2.646	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068302	775687772	/nfs/dbraw/zinc/68/77/72/775687772.db2.gz	NJENFCAPZJLZQI-QMMMGPOBSA-N	-1	0	284.237	2.858	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@@H]2CCc3ccccc3O2)c1C#N	ZINC001226221634	775740451	/nfs/dbraw/zinc/74/04/51/775740451.db2.gz	ONCBCMDUJCDGMP-ZDUSSCGKSA-N	-1	0	296.326	2.740	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)CC(C)(C)S)c1C#N	ZINC001226224055	775743172	/nfs/dbraw/zinc/74/31/72/775743172.db2.gz	ZLWWOJJPGYYGOC-SECBINFHSA-N	-1	0	266.366	2.833	20	30		CFEDRM
O/N=C/c1ccnc(O[C@H]2CCCc3ccccc32)n1	ZINC001226254247	775756058	/nfs/dbraw/zinc/75/60/58/775756058.db2.gz	SGIYICUDVQZCCH-FBJMNJBLSA-N	-1	0	269.304	2.741	20	30		CFEDRM
C=CCOc1ccccc1[C@@H](C)Oc1nccc(=O)[n-]1	ZINC001226326754	775779601	/nfs/dbraw/zinc/77/96/01/775779601.db2.gz	NIWUYKCKVLGGFP-LLVKDONJSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1	ZINC001226332635	775782281	/nfs/dbraw/zinc/78/22/81/775782281.db2.gz	WMSCLFVRXDYYAS-LBPRGKRZSA-N	-1	0	287.275	2.787	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1	ZINC001226332631	775782889	/nfs/dbraw/zinc/78/28/89/775782889.db2.gz	WMSCLFVRXDYYAS-GFCCVEGCSA-N	-1	0	287.275	2.787	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226554777	775871868	/nfs/dbraw/zinc/87/18/68/775871868.db2.gz	YANOGHAVTFUNLN-QMMMGPOBSA-N	-1	0	277.711	2.893	20	30		CFEDRM
C=CCC1(NS(=O)(=O)c2ccccc2[O-])CCCC1	ZINC000690815540	775947285	/nfs/dbraw/zinc/94/72/85/775947285.db2.gz	RMKGMRWFTXDKNL-UHFFFAOYSA-N	-1	0	281.377	2.559	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1[n-]c(=O)nc2nccnc21	ZINC001226990218	776051344	/nfs/dbraw/zinc/05/13/44/776051344.db2.gz	SHWNKTDSEGMOHL-JTQLQIEISA-N	-1	0	274.324	2.639	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001227069208	776082170	/nfs/dbraw/zinc/08/21/70/776082170.db2.gz	GNAFKJNXWWTHNK-MNOVXSKESA-N	-1	0	286.335	2.738	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2nc[nH]c21)c1ccccc1	ZINC001227070320	776084088	/nfs/dbraw/zinc/08/40/88/776084088.db2.gz	NOMBWUFMDPTLQC-LLVKDONJSA-N	-1	0	282.303	2.755	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1c(F)cc(C(=O)[O-])cc1F	ZINC001222424618	776143025	/nfs/dbraw/zinc/14/30/25/776143025.db2.gz	CACUAWVYKVNCQZ-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2[nH]ccc21)C(=C)C	ZINC001227272605	776166362	/nfs/dbraw/zinc/16/63/62/776166362.db2.gz	DRQCJFSKPWVEOU-LLVKDONJSA-N	-1	0	259.309	2.953	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227349432	776181963	/nfs/dbraw/zinc/18/19/63/776181963.db2.gz	GXQVDGLLBVEWQH-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C[C@H](C)Oc1cc(S(=O)(=O)[O-])cc2ccc(O)cc21	ZINC001227666215	776250608	/nfs/dbraw/zinc/25/06/08/776250608.db2.gz	BJFMWJDGGVHGBH-VIFPVBQESA-N	-1	0	294.328	2.745	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227709833	776265979	/nfs/dbraw/zinc/26/59/79/776265979.db2.gz	HDCSOEYDCZWEHK-GHMZBOCLSA-N	-1	0	276.336	2.734	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228011336	776363544	/nfs/dbraw/zinc/36/35/44/776363544.db2.gz	ZHACMRWKAMGWBF-NSHDSACASA-N	-1	0	271.320	2.691	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000125624647	776388904	/nfs/dbraw/zinc/38/89/04/776388904.db2.gz	VBERMSDKRYASKJ-GFCCVEGCSA-N	-1	0	278.377	2.767	20	30		CFEDRM
CCCCN(CC#N)Cc1c(F)ccc(F)c1[O-]	ZINC001139685996	776620835	/nfs/dbraw/zinc/62/08/35/776620835.db2.gz	IYSXNZURWRTCME-UHFFFAOYSA-N	-1	0	254.280	2.796	20	30		CFEDRM
C#CC[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228860259	776637220	/nfs/dbraw/zinc/63/72/20/776637220.db2.gz	RZOWFRQPIHXLCB-LURJTMIESA-N	-1	0	290.197	2.505	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCCc2cccnc21	ZINC001228898048	776649934	/nfs/dbraw/zinc/64/99/34/776649934.db2.gz	BJXZDQLQYWDZEJ-GFCCVEGCSA-N	-1	0	267.288	2.510	20	30		CFEDRM
COC(=O)c1ccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)cc1	ZINC001228899216	776650229	/nfs/dbraw/zinc/65/02/29/776650229.db2.gz	TULINVNYRDBNDI-JTQLQIEISA-N	-1	0	298.298	2.585	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137176	776730241	/nfs/dbraw/zinc/73/02/41/776730241.db2.gz	HIZUIGLLFKCULU-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229140270	776732141	/nfs/dbraw/zinc/73/21/41/776732141.db2.gz	ZFBGSCQFZIEBRR-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229139965	776732598	/nfs/dbraw/zinc/73/25/98/776732598.db2.gz	POVITHXDKNIKHC-JTQLQIEISA-N	-1	0	272.304	2.854	20	30		CFEDRM
C#C[C@@H](C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC001229189845	776747939	/nfs/dbraw/zinc/74/79/39/776747939.db2.gz	DEVOXWCHADKXDU-SNVBAGLBSA-N	-1	0	292.290	2.568	20	30		CFEDRM
N#Cc1ccncc1Nc1cc(F)c(F)c(C(=O)[O-])c1	ZINC001215459333	776791102	/nfs/dbraw/zinc/79/11/02/776791102.db2.gz	IQXQGUGNNWNGNB-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229378794	776795594	/nfs/dbraw/zinc/79/55/94/776795594.db2.gz	NHJODCOEKGKRCG-SNVBAGLBSA-N	-1	0	281.312	2.913	20	30		CFEDRM
C[C@@H](Oc1cccc(C#N)c1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001229599504	776853726	/nfs/dbraw/zinc/85/37/26/776853726.db2.gz	FFGNTTWIEQUDGZ-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2nc(Cl)[n-]c(=O)n2)C(C)(C)O1	ZINC001230240170	776963091	/nfs/dbraw/zinc/96/30/91/776963091.db2.gz	HFQPTLLQVWPEPM-ISVAXAHUSA-N	-1	0	299.758	2.512	20	30		CFEDRM
C=CC[C@@H](CCCC)Oc1nc(Cl)[n-]c(=O)n1	ZINC001230241220	776964462	/nfs/dbraw/zinc/96/44/62/776964462.db2.gz	YJYOSJQWRIUZNZ-QMMMGPOBSA-N	-1	0	257.721	2.744	20	30		CFEDRM
C[C@@H](CS)Oc1[n-]c(=O)nc2c3ccccc3oc21	ZINC001230662651	777037005	/nfs/dbraw/zinc/03/70/05/777037005.db2.gz	FOFRDWRITFZLBX-ZETCQYMHSA-N	-1	0	276.317	2.779	20	30		CFEDRM
COc1ccc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c2c1	ZINC001230853660	777075838	/nfs/dbraw/zinc/07/58/38/777075838.db2.gz	LIDDFXWTKNHWBW-UHFFFAOYSA-N	-1	0	299.330	2.805	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861990	777076423	/nfs/dbraw/zinc/07/64/23/777076423.db2.gz	IGIQMUSGRRCJSU-LLVKDONJSA-N	-1	0	286.331	2.915	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230883071	777081299	/nfs/dbraw/zinc/08/12/99/777081299.db2.gz	IWTKBBWAMGSYIE-LLVKDONJSA-N	-1	0	274.295	2.901	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888405	777082810	/nfs/dbraw/zinc/08/28/10/777082810.db2.gz	MFNYVBCDCGEMMB-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)o1	ZINC000126647824	777426254	/nfs/dbraw/zinc/42/62/54/777426254.db2.gz	VJIPFPFYSYHNBX-OAHLLOKOSA-N	-1	0	296.326	2.535	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCC[C@H](F)C(F)(F)C2)c1	ZINC001232673476	777636178	/nfs/dbraw/zinc/63/61/78/777636178.db2.gz	HKQJPTDOFONDRX-ZDUSSCGKSA-N	-1	0	284.281	2.833	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2Cc3cnc(Cl)cc3C2)c1	ZINC001232680434	777640169	/nfs/dbraw/zinc/64/01/69/777640169.db2.gz	DIAAFEPAAYQXOC-UHFFFAOYSA-N	-1	0	285.734	2.828	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1c([O-])cc(Br)cc1F	ZINC001233027674	777769186	/nfs/dbraw/zinc/76/91/86/777769186.db2.gz	WSJNYVVCXLFVHY-VIFPVBQESA-N	-1	0	299.143	2.782	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1n[n-]c(=O)cc1Cl	ZINC001233589798	778001409	/nfs/dbraw/zinc/00/14/09/778001409.db2.gz	MSPOAUROKMXSRV-ZCFIWIBFSA-N	-1	0	262.762	2.701	20	30		CFEDRM
COC(=O)c1ccc(O[C@H](C)C2=CC=C[CH]2)c(C#N)c1	ZINC001233631737	778018028	/nfs/dbraw/zinc/01/80/28/778018028.db2.gz	IXVJBNPTDJYQCP-LLVKDONJSA-N	-1	0	268.292	2.813	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc2occc(=O)c12	ZINC001233834608	778090447	/nfs/dbraw/zinc/09/04/47/778090447.db2.gz	PBPKQPXACXOGGM-MFKMUULPSA-N	-1	0	270.284	2.679	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233832650	778091409	/nfs/dbraw/zinc/09/14/09/778091409.db2.gz	DIANDJIYZWYTCM-GFCCVEGCSA-N	-1	0	272.300	2.925	20	30		CFEDRM
CC#CC[C@H](CC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234567103	778253771	/nfs/dbraw/zinc/25/37/71/778253771.db2.gz	CNVDRXKWDHPLCR-VIFPVBQESA-N	-1	0	299.168	2.824	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817557	778300485	/nfs/dbraw/zinc/30/04/85/778300485.db2.gz	DKBDXWNCLADVJU-RISCZKNCSA-N	-1	0	284.311	2.988	20	30		CFEDRM
[O-]N=Cc1ccccc1O[C@@H]1CC(F)(F)C1(F)F	ZINC001234818783	778301072	/nfs/dbraw/zinc/30/10/72/778301072.db2.gz	DRWMZQOWXFKOLD-SECBINFHSA-N	-1	0	263.190	2.916	20	30		CFEDRM
C#C[C@@H](Oc1cc([O-])cc2oc(C)cc(=O)c12)C(C)C	ZINC001234820814	778302098	/nfs/dbraw/zinc/30/20/98/778302098.db2.gz	QXKDCUFABRILGY-CYBMUJFWSA-N	-1	0	272.300	2.844	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235692782	778539753	/nfs/dbraw/zinc/53/97/53/778539753.db2.gz	VMIRKETZBDOWAD-RUDMXATFSA-N	-1	0	280.283	2.727	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1	ZINC000042279914	778548434	/nfs/dbraw/zinc/54/84/34/778548434.db2.gz	JWMNZUSLQXUALZ-UHFFFAOYSA-N	-1	0	291.328	2.743	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc(Cl)cc(Cl)c1	ZINC000129076332	778668112	/nfs/dbraw/zinc/66/81/12/778668112.db2.gz	UNKOEKYVEWCOLU-NSHDSACASA-N	-1	0	297.141	2.594	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(C(=O)[O-])cc1)CCC2	ZINC001236056499	778671444	/nfs/dbraw/zinc/67/14/44/778671444.db2.gz	IVWUAVGPGVURSP-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
Cc1c(Cl)c(-c2ncncc2C#N)ccc1C(=O)[O-]	ZINC001236112222	778698644	/nfs/dbraw/zinc/69/86/44/778698644.db2.gz	CTFLRNUTDNWSMC-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1nc(-c2ccc(Cl)c(C(=O)[O-])c2F)cnc1C#N	ZINC001236149354	778717985	/nfs/dbraw/zinc/71/79/85/778717985.db2.gz	WGOORIZYZRXBTQ-UHFFFAOYSA-N	-1	0	291.669	2.814	20	30		CFEDRM
COc1nc(-c2c(F)ccc(C)c2[O-])c(F)cc1C#N	ZINC001236389410	778799827	/nfs/dbraw/zinc/79/98/27/778799827.db2.gz	DYOFJYYFDHVFNE-UHFFFAOYSA-N	-1	0	276.242	2.921	20	30		CFEDRM
N#C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1	ZINC001233032157	779008958	/nfs/dbraw/zinc/00/89/58/779008958.db2.gz	VLARUZQLKWEZFO-MRVPVSSYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1O	ZINC000176403284	779124337	/nfs/dbraw/zinc/12/43/37/779124337.db2.gz	KECHURKOXRJSBY-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1F	ZINC000176409638	779128342	/nfs/dbraw/zinc/12/83/42/779128342.db2.gz	TXHOYXRFEPNEPC-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
O=C([N-]CCC(C(F)(F)F)C(F)(F)F)C(F)(F)F	ZINC001142770010	779518745	/nfs/dbraw/zinc/51/87/45/779518745.db2.gz	CJRGLHCDQMKUFO-UHFFFAOYSA-N	-1	0	291.113	2.796	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239333644	779523841	/nfs/dbraw/zinc/52/38/41/779523841.db2.gz	YPDAWBFLMABPKK-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
COc1nc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001239337320	779527337	/nfs/dbraw/zinc/52/73/37/779527337.db2.gz	QXBPPQHWESNXQE-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
Cc1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c(/C=N/O)c1	ZINC001239337477	779528733	/nfs/dbraw/zinc/52/87/33/779528733.db2.gz	UJHIROQPUXEZMA-NGYBGAFCSA-N	-1	0	292.241	2.842	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239246017	779911322	/nfs/dbraw/zinc/91/13/22/779911322.db2.gz	ZOIKEALZBYWIID-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1ncc(-c2cccc(/C=C/C(=O)[O-])c2)cc1F	ZINC001240548461	780242655	/nfs/dbraw/zinc/24/26/55/780242655.db2.gz	NWRWBFPTESBCND-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#CCc1cncc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240549365	780244532	/nfs/dbraw/zinc/24/45/32/780244532.db2.gz	DRYWUGFHCDMKIK-SNAWJCMRSA-N	-1	0	264.284	2.912	20	30		CFEDRM
CCc1nnc(-c2cc(F)ccc2[O-])c(C#N)c1CC	ZINC001240696198	780368018	/nfs/dbraw/zinc/36/80/18/780368018.db2.gz	GSYDQMWIAJZZRE-UHFFFAOYSA-N	-1	0	271.295	2.985	20	30		CFEDRM
N#Cc1ccc(F)c(-c2noc(-c3ncccc3[O-])n2)c1	ZINC001212480760	780395586	/nfs/dbraw/zinc/39/55/86/780395586.db2.gz	GXJWSSJORCOODX-UHFFFAOYSA-N	-1	0	282.234	2.515	20	30		CFEDRM
COc1cc(-c2ccccc2OCC#N)ccc1C(=O)[O-]	ZINC001240743465	780409122	/nfs/dbraw/zinc/40/91/22/780409122.db2.gz	MQSIVZNLMIFZCI-UHFFFAOYSA-N	-1	0	283.283	2.963	20	30		CFEDRM
COc1cc(-c2c(F)cc([O-])cc2F)ncc1C#N	ZINC001241116453	780645433	/nfs/dbraw/zinc/64/54/33/780645433.db2.gz	AVDVUYQRIBLWLZ-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COc1ccc(C#N)c(-c2c(F)cc([O-])cc2F)n1	ZINC001241125486	780653852	/nfs/dbraw/zinc/65/38/52/780653852.db2.gz	YXSYLVSCJWTLON-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241183814	780688774	/nfs/dbraw/zinc/68/87/74/780688774.db2.gz	YFPJHWQYXRNSRH-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241188289	780691903	/nfs/dbraw/zinc/69/19/03/780691903.db2.gz	YCZRGOCGBANIIN-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241343332	780798099	/nfs/dbraw/zinc/79/80/99/780798099.db2.gz	DKHYKQVHFZNHBQ-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
COc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1C#N	ZINC001241346002	780799721	/nfs/dbraw/zinc/79/97/21/780799721.db2.gz	VRTWKRMRLKNYEJ-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)[O-])c2)n1	ZINC001241357402	780806672	/nfs/dbraw/zinc/80/66/72/780806672.db2.gz	YKZLHWCUGOUANG-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CCCCCCCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC000703739093	781053156	/nfs/dbraw/zinc/05/31/56/781053156.db2.gz	LMFGSLMBEVZECC-CHWSQXEVSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC000703739097	781053285	/nfs/dbraw/zinc/05/32/85/781053285.db2.gz	LMFGSLMBEVZECC-QWHCGFSZSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000703732585	781053881	/nfs/dbraw/zinc/05/38/81/781053881.db2.gz	COZSFPSAWFEKJJ-QWHCGFSZSA-N	-1	0	269.385	2.964	20	30		CFEDRM
N#CCc1cccc(-c2cncc(C(=O)[O-])c2)c1F	ZINC001241801209	781132555	/nfs/dbraw/zinc/13/25/55/781132555.db2.gz	BUVNFCPCEFTYCH-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(CC#N)cc1-c1cncc(C(=O)[O-])c1	ZINC001241801473	781132765	/nfs/dbraw/zinc/13/27/65/781132765.db2.gz	MGMNEVQGTKRFMW-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
Cc1ccc(-c2cncc(C(=O)[O-])c2)c(C)c1C#N	ZINC001241804174	781135158	/nfs/dbraw/zinc/13/51/58/781135158.db2.gz	HIVXNNAPNOJSSV-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2cncc(C(=O)[O-])c2)ccc1CC#N	ZINC001241804292	781136209	/nfs/dbraw/zinc/13/62/09/781136209.db2.gz	MPYWQDMKPDVCPA-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCc1cccnc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241812262	781139860	/nfs/dbraw/zinc/13/98/60/781139860.db2.gz	GHISTEPTDPAVEF-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241816941	781141524	/nfs/dbraw/zinc/14/15/24/781141524.db2.gz	NSEKMKDDKLRRPC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241816905	781141603	/nfs/dbraw/zinc/14/16/03/781141603.db2.gz	MKSHIPXJDNLBPB-UHFFFAOYSA-N	-1	0	288.278	2.854	20	30		CFEDRM
Cc1cnc(-c2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001241821147	781144098	/nfs/dbraw/zinc/14/40/98/781144098.db2.gz	NAPOMPMJGWAXLA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3cc(F)cc(C(=O)[O-])c3)c12	ZINC001241829161	781146571	/nfs/dbraw/zinc/14/65/71/781146571.db2.gz	VZAWYAFJZFYPKC-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COc1ccc(-c2nccc(C#N)c2C)cc1C(=O)[O-]	ZINC001241854894	781154864	/nfs/dbraw/zinc/15/48/64/781154864.db2.gz	NLBDTAJLQSCWSK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1C(=O)[O-]	ZINC001241874815	781161807	/nfs/dbraw/zinc/16/18/07/781161807.db2.gz	NFPXZIVVNABSJG-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000709739535	781306053	/nfs/dbraw/zinc/30/60/53/781306053.db2.gz	UVQRGTVGSVPWGB-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C[Si](C)(C)C#Cc1ccc(-c2cnn(CC(=O)[O-])c2)cc1	ZINC001242185291	781317176	/nfs/dbraw/zinc/31/71/76/781317176.db2.gz	YJNKXULUBGCFQR-UHFFFAOYSA-N	-1	0	298.418	2.864	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccnc(C#N)c1	ZINC001242208747	781327451	/nfs/dbraw/zinc/32/74/51/781327451.db2.gz	GYLWEPNILOKUKJ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cnccc1CC#N	ZINC001242211207	781328460	/nfs/dbraw/zinc/32/84/60/781328460.db2.gz	BTCZQNQLTXKBPA-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
COc1ccc(-c2ccc(F)cc2[O-])nc1CC#N	ZINC001242218089	781333682	/nfs/dbraw/zinc/33/36/82/781333682.db2.gz	ZWMSVUQMFHVVKZ-UHFFFAOYSA-N	-1	0	258.252	2.668	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1CC=C(C(=O)[O-])C1	ZINC000694984906	781366114	/nfs/dbraw/zinc/36/61/14/781366114.db2.gz	JGRBPOBFQJKEOX-GFCCVEGCSA-N	-1	0	253.342	2.637	20	30		CFEDRM
C#Cc1ccc(-c2ccccc2S(=O)(=O)[O-])cc1	ZINC001242293663	781373456	/nfs/dbraw/zinc/37/34/56/781373456.db2.gz	NLMIRPKBKMHXTR-UHFFFAOYSA-N	-1	0	258.298	2.582	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])nc2)nc1C(F)(F)F	ZINC001242333200	781403765	/nfs/dbraw/zinc/40/37/65/781403765.db2.gz	GONWXDCMDQGFNJ-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#CCCOc1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242336518	781407737	/nfs/dbraw/zinc/40/77/37/781407737.db2.gz	BRVQZTXMVYLELS-UHFFFAOYSA-N	-1	0	268.272	2.739	20	30		CFEDRM
C=CCN(Cc1cc(C(=O)[O-])cs1)CC(F)(F)F	ZINC000711377907	781417490	/nfs/dbraw/zinc/41/74/90/781417490.db2.gz	BNOMBTJRUSBSBS-UHFFFAOYSA-N	-1	0	279.283	2.997	20	30		CFEDRM
COc1nc(-c2cccc(C(=O)[O-])c2F)c(F)cc1C#N	ZINC001242376645	781445139	/nfs/dbraw/zinc/44/51/39/781445139.db2.gz	MDMXVKZXKLUJJY-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1ccc(-c2cccc(C(=O)[O-])c2F)nc1F	ZINC001242376960	781445353	/nfs/dbraw/zinc/44/53/53/781445353.db2.gz	ROTYXRJPFOPSKK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc(C(=O)[O-])c3F)ccc12	ZINC001242378004	781446854	/nfs/dbraw/zinc/44/68/54/781446854.db2.gz	MEIQTZYMWBFOSP-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(S(=O)(=O)[O-])cc2)c1	ZINC001242480400	781533729	/nfs/dbraw/zinc/53/37/29/781533729.db2.gz	CJNJAEMMFWJLNF-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
Cc1ccc(C#N)cc1-c1cccc(S(=O)(=O)[O-])c1	ZINC001242542829	781582200	/nfs/dbraw/zinc/58/22/00/781582200.db2.gz	RSTMSLDULAWJHQ-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
CCOC(=O)c1ccc(C#N)c(-c2ccc([O-])c(C#N)c2)c1	ZINC001242564959	781603345	/nfs/dbraw/zinc/60/33/45/781603345.db2.gz	CTJJOPHRRBPSTB-UHFFFAOYSA-N	-1	0	292.294	2.979	20	30		CFEDRM
N#Cc1cc(F)ccc1-c1cccc(S(=O)(=O)[O-])c1	ZINC001242585129	781617465	/nfs/dbraw/zinc/61/74/65/781617465.db2.gz	HKZNKSMQLAFPNS-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1cc2nc(-c3ccccc3C(=O)[O-])ccc2[nH]1	ZINC001242878595	781817855	/nfs/dbraw/zinc/81/78/55/781817855.db2.gz	FZIHNMKHLBLRPL-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CCC[C@@H](NCc1ncc(CSC)s1)C(=O)[O-]	ZINC001119602089	781833500	/nfs/dbraw/zinc/83/35/00/781833500.db2.gz	PXSNEUILGFQCPW-SNVBAGLBSA-N	-1	0	286.422	2.515	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2ncc(C#N)n2c1	ZINC001242923256	781844480	/nfs/dbraw/zinc/84/44/80/781844480.db2.gz	DYCHAHXDXZFWII-UHFFFAOYSA-N	-1	0	293.282	2.580	20	30		CFEDRM
CC(C)[C@H](CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000594541176	349444310	/nfs/dbraw/zinc/44/43/10/349444310.db2.gz	QLTWWRLDBFAGPK-JTQLQIEISA-N	-1	0	266.728	2.980	20	30		CFEDRM
C[C@@H](CC(=O)[O-])n1cc(-c2ccsc2C#N)cn1	ZINC000594872148	349491641	/nfs/dbraw/zinc/49/16/41/349491641.db2.gz	YCYMMKGNRBDPIO-QMMMGPOBSA-N	-1	0	261.306	2.519	20	30		CFEDRM
CCCn1c(SCCc2ccc(C#N)cc2)n[nH]c1=O	ZINC000594880215	349492498	/nfs/dbraw/zinc/49/24/98/349492498.db2.gz	FBWZSHRREKIFTN-UHFFFAOYSA-N	-1	0	288.376	2.600	20	30		CFEDRM
N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000124595942	187144672	/nfs/dbraw/zinc/14/46/72/187144672.db2.gz	YIDRHRCDZNMJIO-UHFFFAOYSA-N	-1	0	290.319	2.639	20	30		CFEDRM
CCc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000068412919	346850977	/nfs/dbraw/zinc/85/09/77/346850977.db2.gz	FIVYWXCHJMUSOD-SNVBAGLBSA-N	-1	0	286.360	2.602	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NCC3(C(=O)[O-])CCC3)c2c1	ZINC000595971435	349772813	/nfs/dbraw/zinc/77/28/13/349772813.db2.gz	MSQFOMRSVZNEIF-UHFFFAOYSA-N	-1	0	295.342	2.504	20	30		CFEDRM
Cc1cc(NC[C@@H](C(=O)[O-])C(C)C)cc(C#N)c1[N+](=O)[O-]	ZINC000595969954	349772946	/nfs/dbraw/zinc/77/29/46/349772946.db2.gz	RSCBFMQDGLKFSU-GFCCVEGCSA-N	-1	0	291.307	2.544	20	30		CFEDRM
N#Cc1c(NCCCCCC(=O)[O-])cccc1-n1cccn1	ZINC000595966544	349772955	/nfs/dbraw/zinc/77/29/55/349772955.db2.gz	PSIOKLGISDWBBG-UHFFFAOYSA-N	-1	0	298.346	2.801	20	30		CFEDRM
CC(C)[C@@H](CNc1cccc(-n2cccn2)c1C#N)C(=O)[O-]	ZINC000595970679	349773043	/nfs/dbraw/zinc/77/30/43/349773043.db2.gz	ZRIFOHVDCXZVEH-CYBMUJFWSA-N	-1	0	298.346	2.513	20	30		CFEDRM
Cc1cc(NCCCCCC(=O)[O-])cc(C#N)c1[N+](=O)[O-]	ZINC000595966177	349773054	/nfs/dbraw/zinc/77/30/54/349773054.db2.gz	OZJMMWASBNPQKL-UHFFFAOYSA-N	-1	0	291.307	2.832	20	30		CFEDRM
C[C@H](Nc1ncc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000595969953	349773179	/nfs/dbraw/zinc/77/31/79/349773179.db2.gz	ROHIBFWDVFIGFX-INTQDDNPSA-N	-1	0	291.326	2.640	20	30		CFEDRM
Cc1cc(NC(C)(C)CCC(=O)[O-])cc(C#N)c1[N+](=O)[O-]	ZINC000595965212	349773192	/nfs/dbraw/zinc/77/31/92/349773192.db2.gz	AATSJIBQVLFKLQ-UHFFFAOYSA-N	-1	0	291.307	2.830	20	30		CFEDRM
C=CCCSCCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC000595999693	349774690	/nfs/dbraw/zinc/77/46/90/349774690.db2.gz	HINXZLNUPPDAEU-UHFFFAOYSA-N	-1	0	299.436	2.837	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCC2(O)CCC2)c(=O)c1CCC#N	ZINC000596261541	349846512	/nfs/dbraw/zinc/84/65/12/349846512.db2.gz	XAQYTVPLXRZJFG-UHFFFAOYSA-N	-1	0	291.395	2.647	20	30		CFEDRM
CC[C@H](N=c1[n-]c(C#N)c(Cl)s1)[C@H]1CCCCO1	ZINC000596296989	349855706	/nfs/dbraw/zinc/85/57/06/349855706.db2.gz	ORNUQUTXDRKQRS-WCBMZHEXSA-N	-1	0	285.800	2.850	20	30		CFEDRM
CCC[C@@H](C)N(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000073966412	346986645	/nfs/dbraw/zinc/98/66/45/346986645.db2.gz	DFGFKYTUBARKEV-SECBINFHSA-N	-1	0	293.392	2.641	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000516877792	260220018	/nfs/dbraw/zinc/22/00/18/260220018.db2.gz	MYXCIVZIASOBHD-CYBMUJFWSA-N	-1	0	275.348	2.702	20	30		CFEDRM
Cc1nc(C(=O)Nc2cccc(Cl)c2[O-])ccc1C#N	ZINC000172112165	232268654	/nfs/dbraw/zinc/26/86/54/232268654.db2.gz	IXHZVMHCSRWJLA-UHFFFAOYSA-N	-1	0	287.706	2.873	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1C	ZINC000080456839	347359669	/nfs/dbraw/zinc/35/96/69/347359669.db2.gz	QRUFIKVHKUSXDT-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
CC(C)[C@@H](CNc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087505681	347496109	/nfs/dbraw/zinc/49/61/09/347496109.db2.gz	BWUWWOBUIFLDAQ-LLVKDONJSA-N	-1	0	266.728	2.980	20	30		CFEDRM
Cc1sc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c(C#N)c1C	ZINC000085407854	347479881	/nfs/dbraw/zinc/47/98/81/347479881.db2.gz	BSXTWZMAYIXGBT-NXEZZACHSA-N	-1	0	292.360	2.532	20	30		CFEDRM
N#Cc1c(Cl)cccc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097065837	347706092	/nfs/dbraw/zinc/70/60/92/347706092.db2.gz	GJIXRJDKYLCUTF-BDAKNGLRSA-N	-1	0	264.712	2.877	20	30		CFEDRM
N#Cc1ccc(NCC2(C(=O)[O-])CCC2)cc1Cl	ZINC000138562724	347916815	/nfs/dbraw/zinc/91/68/15/347916815.db2.gz	NDCAXGHBWMTTOU-UHFFFAOYSA-N	-1	0	264.712	2.878	20	30		CFEDRM
C=CC[C@H](CO)CN=c1nc(C2CCCCC2)[n-]s1	ZINC000420610770	348608780	/nfs/dbraw/zinc/60/87/80/348608780.db2.gz	MKXWTMLEURYMLZ-NSHDSACASA-N	-1	0	281.425	2.604	20	30		CFEDRM
N#CCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000589842769	348860616	/nfs/dbraw/zinc/86/06/16/348860616.db2.gz	IVDMSURKCCYELI-UHFFFAOYSA-N	-1	0	277.280	2.713	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2n1	ZINC000591326795	349009882	/nfs/dbraw/zinc/00/98/82/349009882.db2.gz	LEGJORQLIREPJZ-GFCCVEGCSA-N	-1	0	295.342	2.798	20	30		CFEDRM
Cc1c(C#N)c(NCCCCC(=O)[O-])nc2ccccc12	ZINC000591326836	349010055	/nfs/dbraw/zinc/01/00/55/349010055.db2.gz	XUKJBYNVVOYZMK-UHFFFAOYSA-N	-1	0	283.331	2.504	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2N=c1[n-]nc(C2CC2)o1	ZINC000591370780	349013282	/nfs/dbraw/zinc/01/32/82/349013282.db2.gz	VBTDTDJUUMKHAL-AWEZNQCLSA-N	-1	0	280.331	2.730	20	30		CFEDRM
Cc1csc(NC(=O)CC2(CC(=O)[O-])CCC2)c1C#N	ZINC000591530862	349029504	/nfs/dbraw/zinc/02/95/04/349029504.db2.gz	DCVINMBQRHERLI-UHFFFAOYSA-N	-1	0	292.360	2.902	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000592788948	349166580	/nfs/dbraw/zinc/16/65/80/349166580.db2.gz	QCUZJZUEPNXIGI-UHFFFAOYSA-N	-1	0	284.699	2.602	20	30		CFEDRM
C=CCCSCCNC(=O)c1c([O-])cc(F)cc1F	ZINC000597968915	350165242	/nfs/dbraw/zinc/16/52/42/350165242.db2.gz	PQGBYWUHNWUKJY-UHFFFAOYSA-N	-1	0	287.331	2.710	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1	ZINC000597994561	350175369	/nfs/dbraw/zinc/17/53/69/350175369.db2.gz	JWPZPTRSEUPGNN-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
COc1cc(C(=O)N([C@H](C)C#N)C2CC2)cc(Cl)c1O	ZINC000598125266	350201886	/nfs/dbraw/zinc/20/18/86/350201886.db2.gz	IFIGHEHIFFIDFN-MRVPVSSYSA-N	-1	0	294.738	2.571	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1[C@@H]2CCCCCC[C@@H]12	ZINC000598734678	350323290	/nfs/dbraw/zinc/32/32/90/350323290.db2.gz	JSLWFAOHWPBJGK-VXGBXAGGSA-N	-1	0	298.390	2.736	20	30		CFEDRM
CCc1cc(=O)n(-c2cc(C#N)ccc2Br)[n-]1	ZINC000601946579	350814684	/nfs/dbraw/zinc/81/46/84/350814684.db2.gz	CTFIAHDRPBZSSL-UHFFFAOYSA-N	-1	0	292.136	2.823	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1CCC#N	ZINC000601951119	350816908	/nfs/dbraw/zinc/81/69/08/350816908.db2.gz	ZLWJGNBCGKDCQW-SECBINFHSA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)ccc2C)c(=O)c1CCC#N	ZINC000601950078	350816957	/nfs/dbraw/zinc/81/69/57/350816957.db2.gz	UBBJCUBQFDPFJI-LBPRGKRZSA-N	-1	0	259.284	2.777	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1scc(C)c1C#N	ZINC000601980906	350822425	/nfs/dbraw/zinc/82/24/25/350822425.db2.gz	BNEIZYWFDVDZDI-CYBMUJFWSA-N	-1	0	280.349	2.758	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000601985668	350823083	/nfs/dbraw/zinc/82/30/83/350823083.db2.gz	BUBKCTVMZIRPIS-OCCSQVGLSA-N	-1	0	288.347	2.649	20	30		CFEDRM
C[C@H](CC#N)n1[n-]c(-c2ccc(Cl)cc2)cc1=O	ZINC000601935674	350807394	/nfs/dbraw/zinc/80/73/94/350807394.db2.gz	LMRCXIDPMZHYOM-SECBINFHSA-N	-1	0	261.712	2.579	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000601994678	350825038	/nfs/dbraw/zinc/82/50/38/350825038.db2.gz	ZBLHPSWVZIVKMN-BDJLRTHQSA-N	-1	0	288.347	2.626	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(F)cc(C#N)c1	ZINC000601996139	350826083	/nfs/dbraw/zinc/82/60/83/350826083.db2.gz	VEPOTYZMVHZPHR-CQSZACIVSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(C)cc2)c(=O)c1CCC#N	ZINC000603921242	351192049	/nfs/dbraw/zinc/19/20/49/351192049.db2.gz	NBGMCGMQFHZPSD-CQSZACIVSA-N	-1	0	255.321	2.633	20	30		CFEDRM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1CCC#N	ZINC000603923718	351192250	/nfs/dbraw/zinc/19/22/50/351192250.db2.gz	MNSWVUBYDADADC-LBPRGKRZSA-N	-1	0	261.712	2.982	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)cc(C)c2)c(=O)c1CCC#N	ZINC000603923791	351192285	/nfs/dbraw/zinc/19/22/85/351192285.db2.gz	PEUXKBPKNZGVBW-CQSZACIVSA-N	-1	0	255.321	2.946	20	30		CFEDRM
Cc1ncc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)o1	ZINC000603419696	351160869	/nfs/dbraw/zinc/16/08/69/351160869.db2.gz	FPUPLZSQIIDVQY-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
CCN=c1[n-]nc(S[C@H](C#N)Cc2ccccc2)s1	ZINC000609265852	351493944	/nfs/dbraw/zinc/49/39/44/351493944.db2.gz	DGRHTXHESDZKJH-NSHDSACASA-N	-1	0	290.417	2.619	20	30		CFEDRM
Cc1cccc2c1N(C(=O)c1cc(O)cc(C#N)c1)CC2	ZINC000614370963	352086160	/nfs/dbraw/zinc/08/61/60/352086160.db2.gz	RGSNJDKRGBLZOT-UHFFFAOYSA-N	-1	0	278.311	2.775	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000135011370	539846977	/nfs/dbraw/zinc/84/69/77/539846977.db2.gz	FTADUHRGCZOZIZ-OAHLLOKOSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)CSc1ccc(C#N)cc1	ZINC000292136284	198176954	/nfs/dbraw/zinc/17/69/54/198176954.db2.gz	QHUFWVLEIYRXMU-NSHDSACASA-N	-1	0	278.377	2.744	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000618469970	352781496	/nfs/dbraw/zinc/78/14/96/352781496.db2.gz	WZXFNJOMLVHYIT-CQSZACIVSA-N	-1	0	296.729	2.951	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c([O-])cc(F)cc1F	ZINC000620306343	353149731	/nfs/dbraw/zinc/14/97/31/353149731.db2.gz	DIFMGQWZWIPLEP-PHIMTYICSA-N	-1	0	279.286	2.994	20	30		CFEDRM
C=CCN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-]	ZINC000157384027	188314161	/nfs/dbraw/zinc/31/41/61/188314161.db2.gz	VPUHFOLUNHBDMA-UHFFFAOYSA-N	-1	0	299.374	2.959	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000621538072	353375950	/nfs/dbraw/zinc/37/59/50/353375950.db2.gz	FIKHNDOIMBIRCA-QWHCGFSZSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000621557406	353377919	/nfs/dbraw/zinc/37/79/19/353377919.db2.gz	FZVQVUHGXPOSRF-UHFFFAOYSA-N	-1	0	285.343	2.995	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000626767239	354320815	/nfs/dbraw/zinc/32/08/15/354320815.db2.gz	FTRYUCAFFWWQSF-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000626769384	354321011	/nfs/dbraw/zinc/32/10/11/354321011.db2.gz	DORYPVVQQQSQFU-UHFFFAOYSA-N	-1	0	284.400	2.779	20	30		CFEDRM
C=CCn1c(S[C@@H]2CCCC[C@H]2C)n[nH]c1=O	ZINC000629162726	354762163	/nfs/dbraw/zinc/76/21/63/354762163.db2.gz	ZVAHNPNACVNZLG-NXEZZACHSA-N	-1	0	253.371	2.841	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000630287567	355038054	/nfs/dbraw/zinc/03/80/54/355038054.db2.gz	ZIFKTPLLXMZFQQ-RFQIPJPRSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000630297988	355045047	/nfs/dbraw/zinc/04/50/47/355045047.db2.gz	UHXHMLWLTYWRQB-MJBXVCDLSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=CCCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000630297336	355045156	/nfs/dbraw/zinc/04/51/56/355045156.db2.gz	FIUZURIMFAUSJC-LLVKDONJSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(=O)[O-]	ZINC000630183429	355024651	/nfs/dbraw/zinc/02/46/51/355024651.db2.gz	WGOKZBOEJUUBOP-ZNMIVQPWSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000630301816	355046694	/nfs/dbraw/zinc/04/66/94/355046694.db2.gz	PQWAGUBDYNCLND-CQSZACIVSA-N	-1	0	273.332	2.874	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)[O-]	ZINC000630318172	355049381	/nfs/dbraw/zinc/04/93/81/355049381.db2.gz	FFMJGKQWTZRRJJ-CQSZACIVSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(OC(C)C)cc1)C(=O)[O-]	ZINC000630318170	355049558	/nfs/dbraw/zinc/04/95/58/355049558.db2.gz	FEDNSPAIKQGWIC-CQSZACIVSA-N	-1	0	291.347	2.623	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000630319810	355050169	/nfs/dbraw/zinc/05/01/69/355050169.db2.gz	IFUOLLFBJZYFKS-BXKDBHETSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-]	ZINC000630320112	355050214	/nfs/dbraw/zinc/05/02/14/355050214.db2.gz	PDNLKERTCGXHTO-NEPJUHHUSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630321197	355050931	/nfs/dbraw/zinc/05/09/31/355050931.db2.gz	GULZXHZLSDHSPG-RYUDHWBXSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1coc2c1cccc2C)C(=O)[O-]	ZINC000630320290	355051002	/nfs/dbraw/zinc/05/10/02/355051002.db2.gz	SJQTXVLNHDOPSN-CYBMUJFWSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630322741	355051522	/nfs/dbraw/zinc/05/15/22/355051522.db2.gz	VPFHCCRBNPBTEF-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000630325797	355052244	/nfs/dbraw/zinc/05/22/44/355052244.db2.gz	LUPNSIRBWNWDKV-YPMHNXCESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-]	ZINC000630325259	355052281	/nfs/dbraw/zinc/05/22/81/355052281.db2.gz	INZUXXQQUAXWCV-VIFPVBQESA-N	-1	0	296.392	2.590	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000630325829	355052348	/nfs/dbraw/zinc/05/23/48/355052348.db2.gz	MLANLHRDMPWGPN-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-]	ZINC000630326462	355052525	/nfs/dbraw/zinc/05/25/25/355052525.db2.gz	QJJWUAJBKXOCEC-UKRRQHHQSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000630326680	355053086	/nfs/dbraw/zinc/05/30/86/355053086.db2.gz	RTRZJYLRFBEMDZ-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(CC)c1)C(=O)[O-]	ZINC000630544856	355107463	/nfs/dbraw/zinc/10/74/63/355107463.db2.gz	JLFMZRZPKLNEJE-CYBMUJFWSA-N	-1	0	276.336	2.790	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(C)ccc1F)C(=O)[O-]	ZINC000630950625	355225176	/nfs/dbraw/zinc/22/51/76/355225176.db2.gz	DQHKBVZWHOLEIQ-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(C)s1)C(=O)[O-]	ZINC000630951784	355225849	/nfs/dbraw/zinc/22/58/49/355225849.db2.gz	OZDUJKPEIIYMHD-SECBINFHSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCN(c1ncc(C(=O)[O-])cc1Cl)C1CC1	ZINC000165393729	540187004	/nfs/dbraw/zinc/18/70/04/540187004.db2.gz	DGQTVEMXHFSEDP-UHFFFAOYSA-N	-1	0	252.701	2.588	20	30		CFEDRM
C=CCc1cccc(C(C)C)c1NC(=O)CCc1nnn[n-]1	ZINC000632752192	355737699	/nfs/dbraw/zinc/73/76/99/355737699.db2.gz	SLZWOZUULSSPSV-UHFFFAOYSA-N	-1	0	299.378	2.623	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1	ZINC000683305439	540750498	/nfs/dbraw/zinc/75/04/98/540750498.db2.gz	HBOJRJKBCFVWPP-AWEZNQCLSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000393732641	541019280	/nfs/dbraw/zinc/01/92/80/541019280.db2.gz	AQCJCQZNTHTUQP-CYBMUJFWSA-N	-1	0	276.336	2.539	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)o1	ZINC000182769666	189334289	/nfs/dbraw/zinc/33/42/89/189334289.db2.gz	QIRCHPZQYPJAGR-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
C=CCCCN(C)c1ncc(C(=O)[O-])cc1Cl	ZINC000135980974	541274641	/nfs/dbraw/zinc/27/46/41/541274641.db2.gz	YWMMUKJMJTVYSV-UHFFFAOYSA-N	-1	0	254.717	2.836	20	30		CFEDRM
CSCCON=C(C)c1csc(C(=O)[O-])c1	ZINC000378674436	781957839	/nfs/dbraw/zinc/95/78/39/781957839.db2.gz	NMCGDIMUDSFHGS-UHFFFAOYSA-N	-1	0	259.352	2.550	20	30		CFEDRM
N#Cc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)c(F)c1	ZINC000448113140	241447080	/nfs/dbraw/zinc/44/70/80/241447080.db2.gz	ITPRLSMNKUBDCE-HWKANZROSA-N	-1	0	293.257	2.833	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1cccc2ccncc21	ZINC000676233826	541735888	/nfs/dbraw/zinc/73/58/88/541735888.db2.gz	NGHYLSBGMZZXHJ-UHFFFAOYSA-N	-1	0	262.334	2.553	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000041496184	372844457	/nfs/dbraw/zinc/84/44/57/372844457.db2.gz	WGSYUNSEMQZPOV-NSHDSACASA-N	-1	0	265.272	2.954	20	30		CFEDRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)[nH]n1	ZINC000049513730	373305813	/nfs/dbraw/zinc/30/58/13/373305813.db2.gz	HTRZEMANACDWPF-UHFFFAOYSA-N	-1	0	299.396	2.500	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000062926474	373773669	/nfs/dbraw/zinc/77/36/69/373773669.db2.gz	ULBAHGUGYZPRDY-CYBMUJFWSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C#N)cs2)n1	ZINC000083937516	374758857	/nfs/dbraw/zinc/75/88/57/374758857.db2.gz	KMFBMJDPMFJEBC-VIFPVBQESA-N	-1	0	273.342	2.875	20	30		CFEDRM
CCCc1cc(=O)[nH]c(SCCC(C)(C)C#N)n1	ZINC000087596231	374826428	/nfs/dbraw/zinc/82/64/28/374826428.db2.gz	YISJMGXXYALRQE-UHFFFAOYSA-N	-1	0	265.382	2.754	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000678976647	542104482	/nfs/dbraw/zinc/10/44/82/542104482.db2.gz	CLAPDNABJYBKCX-KRWDZBQOSA-N	-1	0	287.359	2.871	20	30		CFEDRM
C=C(CN=c1[n-]nc(C(F)F)o1)c1ccccc1	ZINC000432157891	383726218	/nfs/dbraw/zinc/72/62/18/383726218.db2.gz	TZNHGOJIEGRBTF-UHFFFAOYSA-N	-1	0	251.236	2.554	20	30		CFEDRM
Cc1csc(C(C)(C)NC(=O)c2csc(=O)[nH]2)n1	ZINC000329909917	378512403	/nfs/dbraw/zinc/51/24/03/378512403.db2.gz	MUTNFUQZXYNDLA-UHFFFAOYSA-N	-1	0	283.378	2.854	20	30		CFEDRM
C[C@@H](CC(C)(C)O)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000331338093	378672789	/nfs/dbraw/zinc/67/27/89/378672789.db2.gz	VVTSFTSXOFISAD-LURJTMIESA-N	-1	0	291.269	2.664	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cc(O)c3ccccc3c2)C1	ZINC000335504212	379417348	/nfs/dbraw/zinc/41/73/48/379417348.db2.gz	NHVDOXMZOGFPIP-SMDDNHRTSA-N	-1	0	280.327	2.967	20	30		CFEDRM
N#Cc1ccc2c(c1)N(C(=O)c1c([O-])cccc1F)CC2	ZINC000335876310	380035329	/nfs/dbraw/zinc/03/53/29/380035329.db2.gz	WCPSPWWNVCTKSR-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000335865870	380019211	/nfs/dbraw/zinc/01/92/11/380019211.db2.gz	VOYBFOSJTWFBAW-UHFFFAOYSA-N	-1	0	266.728	2.667	20	30		CFEDRM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)o2)c1	ZINC000335989238	380202555	/nfs/dbraw/zinc/20/25/55/380202555.db2.gz	WHBNNIHTJSVIDI-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000336265222	380302820	/nfs/dbraw/zinc/30/28/20/380302820.db2.gz	AEUPROZOWYMTSY-QTTZVWFDSA-N	-1	0	268.675	2.673	20	30		CFEDRM
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccs1	ZINC000179028962	380501792	/nfs/dbraw/zinc/50/17/92/380501792.db2.gz	LLWGLVWVNBDIBM-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1[n-]nc(CCC)s1	ZINC000432629083	383748859	/nfs/dbraw/zinc/74/88/59/383748859.db2.gz	BUXVHMOTLMFNIR-UHFFFAOYSA-N	-1	0	282.413	2.636	20	30		CFEDRM
CC[C@@H](CC(C)C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000410542129	380982735	/nfs/dbraw/zinc/98/27/35/380982735.db2.gz	UKAYLTIYAFIMOR-LBPRGKRZSA-N	-1	0	290.411	2.942	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)o1	ZINC000182789262	381158212	/nfs/dbraw/zinc/15/82/12/381158212.db2.gz	RXTGSFDIYHCKSD-UHFFFAOYSA-N	-1	0	290.344	2.877	20	30		CFEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000183633871	381299335	/nfs/dbraw/zinc/29/93/35/381299335.db2.gz	MHBUYBSKKVRUPR-VFZGTOFNSA-N	-1	0	294.301	2.873	20	30		CFEDRM
CC[C@H](CC#N)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000184160371	262011341	/nfs/dbraw/zinc/01/13/41/262011341.db2.gz	ZMJMBZFHKYTWPA-MRVPVSSYSA-N	-1	0	270.691	2.607	20	30		CFEDRM
N#CCC(=O)Nc1cc(Cl)cc(Br)c1[O-]	ZINC000185721943	381715535	/nfs/dbraw/zinc/71/55/35/381715535.db2.gz	WHMVXQNGOQVKTJ-UHFFFAOYSA-N	-1	0	289.516	2.660	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCCc2cccc(C#N)c2)s1	ZINC000359930548	381686057	/nfs/dbraw/zinc/68/60/57/381686057.db2.gz	RQOSONKNFWTRHF-UHFFFAOYSA-N	-1	0	286.404	2.784	20	30		CFEDRM
C=C(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1	ZINC000360213078	381772240	/nfs/dbraw/zinc/77/22/40/381772240.db2.gz	MXIHCGKAZNZDMB-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000349291401	381877655	/nfs/dbraw/zinc/87/76/55/381877655.db2.gz	ZGQQAXGASXOCQQ-SNVBAGLBSA-N	-1	0	280.287	2.658	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362177038	381944487	/nfs/dbraw/zinc/94/44/87/381944487.db2.gz	COPGPHSHQVZCGV-SECBINFHSA-N	-1	0	295.220	2.887	20	30		CFEDRM
Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000186906076	382042395	/nfs/dbraw/zinc/04/23/95/382042395.db2.gz	TYBVRNOPBXTNLX-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#CCC1(CN=c2[n-]nc(-c3ccccc3)s2)CC1	ZINC000362359478	382023823	/nfs/dbraw/zinc/02/38/23/382023823.db2.gz	OKOZDKOESYNVPT-UHFFFAOYSA-N	-1	0	270.361	2.733	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000417800483	382071495	/nfs/dbraw/zinc/07/14/95/382071495.db2.gz	UTUQVFSOLOZFHO-GFCCVEGCSA-N	-1	0	290.363	2.990	20	30		CFEDRM
COc1c(O)cccc1/C=C\c1nc(C(=O)[O-])ccc1C#N	ZINC000357570940	382232313	/nfs/dbraw/zinc/23/23/13/382232313.db2.gz	UAURGRCQJBDONT-ALCCZGGFSA-N	-1	0	296.282	2.536	20	30		CFEDRM
Cc1ccc2nc(C([O-])=C(C#N)c3ccncn3)ccc2c1	ZINC000345991891	382326914	/nfs/dbraw/zinc/32/69/14/382326914.db2.gz	LDRLYFMJQSWQEL-CYBMUJFWSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1cnn(C)c1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000420278414	382340555	/nfs/dbraw/zinc/34/05/55/382340555.db2.gz	NXFUCMTTZVDQOD-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1N=c1nc(C2CCCCC2)[n-]s1	ZINC000420621947	382431209	/nfs/dbraw/zinc/43/12/09/382431209.db2.gz	CVDWENNXXOXSAN-NEPJUHHUSA-N	-1	0	279.409	2.763	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]	ZINC000398202895	382635457	/nfs/dbraw/zinc/63/54/57/382635457.db2.gz	GCZAJRYHYPLDLB-AVGNSLFASA-N	-1	0	282.384	2.626	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)nc1	ZINC000193447054	382719965	/nfs/dbraw/zinc/71/99/65/382719965.db2.gz	XCSPUKQVMVSTJQ-DAFODLJHSA-N	-1	0	267.244	2.737	20	30		CFEDRM
CC(C)(CC(=O)Nc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000225222543	382813410	/nfs/dbraw/zinc/81/34/10/382813410.db2.gz	WMXLVHBUIHKMTB-UHFFFAOYSA-N	-1	0	280.711	2.651	20	30		CFEDRM
CSc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)nc1	ZINC000442642810	382940144	/nfs/dbraw/zinc/94/01/44/382940144.db2.gz	CONJTLJTXZZQMW-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
C=C(CC)CNC(=O)c1cccc(Br)c1[O-]	ZINC000562637014	383161336	/nfs/dbraw/zinc/16/13/36/383161336.db2.gz	FKLDDQPONKETQM-UHFFFAOYSA-N	-1	0	284.153	2.851	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	ZINC000634943344	383415278	/nfs/dbraw/zinc/41/52/78/383415278.db2.gz	YVMDUVVEWBPQJI-CABCVRRESA-N	-1	0	287.359	2.702	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634899220	383396601	/nfs/dbraw/zinc/39/66/01/383396601.db2.gz	GDCXKRUXPYFIIJ-MEDUHNTESA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634899783	383397583	/nfs/dbraw/zinc/39/75/83/383397583.db2.gz	VDHRHUKGMPIQAI-RISCZKNCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1	ZINC000634904392	383398488	/nfs/dbraw/zinc/39/84/88/383398488.db2.gz	NOTMZVWVEIPJSL-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCC2)C1	ZINC000634926855	383407322	/nfs/dbraw/zinc/40/73/22/383407322.db2.gz	BRULIVVKJDXJBV-ZDUSSCGKSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=C(C)CNC(=O)[C@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634940418	383413337	/nfs/dbraw/zinc/41/33/37/383413337.db2.gz	CWCHUPILUYSWMT-QGZVFWFLSA-N	-1	0	289.375	2.810	20	30		CFEDRM
C=C(C)CCNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634839085	383374372	/nfs/dbraw/zinc/37/43/72/383374372.db2.gz	BCVUYIVJSDCTTC-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CC(C)(C)CNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634840759	383376672	/nfs/dbraw/zinc/37/66/72/383376672.db2.gz	URIYIYBNUFBIAQ-OAHLLOKOSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634852298	383382275	/nfs/dbraw/zinc/38/22/75/383382275.db2.gz	UPUNUTZCAAZPJY-AWEZNQCLSA-N	-1	0	275.348	2.670	20	30		CFEDRM
COc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)cc1C#N	ZINC000340590874	383480657	/nfs/dbraw/zinc/48/06/57/383480657.db2.gz	RLBMZQVLWAYYKA-RQOWECAXSA-N	-1	0	280.283	2.830	20	30		CFEDRM
C#CCN(C(=O)c1cc(C(=O)[O-])c(CC)o1)C1CCCC1	ZINC000261734252	383550104	/nfs/dbraw/zinc/55/01/04/383550104.db2.gz	YMKHQWJZYRULME-UHFFFAOYSA-N	-1	0	289.331	2.558	20	30		CFEDRM
CC(=Cc1ccc(C)s1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000335816480	322449695	/nfs/dbraw/zinc/44/96/95/322449695.db2.gz	VRWBYCAYZPOFDJ-VURMDHGXSA-N	-1	0	271.345	2.880	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000488495717	383550521	/nfs/dbraw/zinc/55/05/21/383550521.db2.gz	IWQXNYUYXIJCLX-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC000635530062	383578657	/nfs/dbraw/zinc/57/86/57/383578657.db2.gz	OICDVFLRCSPFSW-STQMWFEESA-N	-1	0	296.411	2.731	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1nnc2n1CCCCC2	ZINC000430522885	383594347	/nfs/dbraw/zinc/59/43/47/383594347.db2.gz	FLUDCKGVIKQIRK-LBPRGKRZSA-N	-1	0	298.346	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(CCC)CCC)C(=O)[O-]	ZINC000262874723	383643112	/nfs/dbraw/zinc/64/31/12/383643112.db2.gz	JZUJAZPPHHJRPU-LBPRGKRZSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1[n-]nc(C(C)(C)CC)o1	ZINC000641549097	384224116	/nfs/dbraw/zinc/22/41/16/384224116.db2.gz	RGCRLNSHQSSAHR-NEPJUHHUSA-N	-1	0	279.384	2.572	20	30		CFEDRM
C=C1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000269180757	384733523	/nfs/dbraw/zinc/73/35/23/384733523.db2.gz	BGZKYWHGRYYOGW-UHFFFAOYSA-N	-1	0	269.703	2.977	20	30		CFEDRM
C=CCCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000280379987	384997040	/nfs/dbraw/zinc/99/70/40/384997040.db2.gz	DNGBBWGFZYECCM-MRXNPFEDSA-N	-1	0	275.348	2.501	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1s[n-]c(=O)c1Cl	ZINC000282915228	385409894	/nfs/dbraw/zinc/40/98/94/385409894.db2.gz	IFGXIEXOVUHNBW-UHFFFAOYSA-N	-1	0	260.746	2.540	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000274496384	385812071	/nfs/dbraw/zinc/81/20/71/385812071.db2.gz	LAWZRCYJKAXIGB-UHFFFAOYSA-N	-1	0	259.305	2.583	20	30		CFEDRM
C=CC[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000116906011	260007846	/nfs/dbraw/zinc/00/78/46/260007846.db2.gz	QNXRMMXZMRVZFY-SECBINFHSA-N	-1	0	293.310	2.948	20	30		CFEDRM
Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(Cl)c1C	ZINC000341920171	130130341	/nfs/dbraw/zinc/13/03/41/130130341.db2.gz	HJZILCFILUQRSE-UHFFFAOYSA-N	-1	0	299.721	2.676	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000263316278	131289420	/nfs/dbraw/zinc/28/94/20/131289420.db2.gz	ZCTHKLOKECDWGW-BXUZGUMPSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000263316280	131289744	/nfs/dbraw/zinc/28/97/44/131289744.db2.gz	ZCTHKLOKECDWGW-RISCZKNCSA-N	-1	0	291.347	2.539	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)sc1C	ZINC000683689827	542710160	/nfs/dbraw/zinc/71/01/60/542710160.db2.gz	PUJXTCMAVPGEAL-NSHDSACASA-N	-1	0	286.360	2.657	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2coc(C3CC3)n2)n1	ZINC000683902347	542742095	/nfs/dbraw/zinc/74/20/95/542742095.db2.gz	WRCFZBPVIZFCLW-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCCCCCO)c(=O)c1CCC#N	ZINC000179257953	393459854	/nfs/dbraw/zinc/45/98/54/393459854.db2.gz	YDOVFQLPDNWAGM-UHFFFAOYSA-N	-1	0	293.411	2.895	20	30		CFEDRM
Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1O	ZINC000188613172	393565789	/nfs/dbraw/zinc/56/57/89/393565789.db2.gz	BGDXVIXOGFCCDR-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
CC[C@H](CC(C)C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000410542125	393629461	/nfs/dbraw/zinc/62/94/61/393629461.db2.gz	UKAYLTIYAFIMOR-GFCCVEGCSA-N	-1	0	290.411	2.942	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000335112164	393642965	/nfs/dbraw/zinc/64/29/65/393642965.db2.gz	VHGHDOHZZAGTFL-IONNQARKSA-N	-1	0	282.702	2.607	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H]2CCOC(C)(C)C2)s1	ZINC000412973847	393776526	/nfs/dbraw/zinc/77/65/26/393776526.db2.gz	AZFXCHDFPHNNCR-SECBINFHSA-N	-1	0	285.438	2.608	20	30		CFEDRM
CC(C)(C)c1nc(=NCC(C)(C)CC#N)s[n-]1	ZINC000413408955	393782913	/nfs/dbraw/zinc/78/29/13/393782913.db2.gz	NUGUCZFRQCUFRW-UHFFFAOYSA-N	-1	0	252.387	2.609	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1ccc(C2CC2)n[n-]1	ZINC000343316250	393884278	/nfs/dbraw/zinc/88/42/78/393884278.db2.gz	APTRQKFYVOCRHW-LLVKDONJSA-N	-1	0	274.368	2.642	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1ccc2ccccc2n1	ZINC000684629971	542840277	/nfs/dbraw/zinc/84/02/77/542840277.db2.gz	MXHKOJHAJWGYAG-HNNXBMFYSA-N	-1	0	298.305	2.992	20	30		CFEDRM
CCCOc1cc(C)ccc1[N-]S(=O)(=O)[C@H](C#N)CC	ZINC000416934640	393945661	/nfs/dbraw/zinc/94/56/61/393945661.db2.gz	DRVVHRBWQJTZAQ-LBPRGKRZSA-N	-1	0	296.392	2.828	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)cc2cccnc21	ZINC000416960081	393946792	/nfs/dbraw/zinc/94/67/92/393946792.db2.gz	QSGPJSCACDFPAB-GFCCVEGCSA-N	-1	0	289.360	2.587	20	30		CFEDRM
CC(=O)c1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000355229603	394061100	/nfs/dbraw/zinc/06/11/00/394061100.db2.gz	DYGCJESHTGMASO-LBPRGKRZSA-N	-1	0	299.355	2.848	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C/SCc1ccco1)C(=O)[O-]	ZINC000493350014	394218491	/nfs/dbraw/zinc/21/84/91/394218491.db2.gz	IAWNXSMMGAAZKD-CRALRDPISA-N	-1	0	295.360	2.562	20	30		CFEDRM
N#Cc1ccc(N2CCCC[C@H]2CC(=O)[O-])c(F)c1	ZINC000038027095	134852308	/nfs/dbraw/zinc/85/23/08/134852308.db2.gz	NOIBOJPQOZEUOF-NSHDSACASA-N	-1	0	262.284	2.531	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC2=CCCC2)s1	ZINC000647114218	395161661	/nfs/dbraw/zinc/16/16/61/395161661.db2.gz	WRBSTZWOALACSW-UHFFFAOYSA-N	-1	0	253.396	2.760	20	30		CFEDRM
Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378223	395320571	/nfs/dbraw/zinc/32/05/71/395320571.db2.gz	FUKSVLFWZMKWML-NSHDSACASA-N	-1	0	296.355	2.721	20	30		CFEDRM
N#CC(=C([O-])c1ccsn1)c1nc(C2CC2)cs1	ZINC000647380269	395320630	/nfs/dbraw/zinc/32/06/30/395320630.db2.gz	YQMSICGLNBBVTO-QMMMGPOBSA-N	-1	0	275.358	2.967	20	30		CFEDRM
Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378222	395321056	/nfs/dbraw/zinc/32/10/56/395321056.db2.gz	FUKSVLFWZMKWML-LLVKDONJSA-N	-1	0	296.355	2.721	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ncc(Cl)s1	ZINC000349048122	162936894	/nfs/dbraw/zinc/93/68/94/162936894.db2.gz	NYRFRVSVDWKYTB-ARJAWSKDSA-N	-1	0	291.719	2.932	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C\c2ccc(C#N)cn2)cc1)C(=O)[O-]	ZINC000349104542	162942956	/nfs/dbraw/zinc/94/29/56/162942956.db2.gz	FLTIIWXENBGXIK-DBGMKRSLSA-N	-1	0	294.310	2.976	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NCc2ccc(C(=O)[O-])cc2)n1	ZINC000035663949	172343527	/nfs/dbraw/zinc/34/35/27/172343527.db2.gz	OLKORPOKDGRYJO-UHFFFAOYSA-N	-1	0	281.315	2.880	20	30		CFEDRM
CC#CCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000654988028	414052736	/nfs/dbraw/zinc/05/27/36/414052736.db2.gz	WAKSPLRMLJXGEB-UHFFFAOYSA-N	-1	0	271.238	2.554	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665309015	414274796	/nfs/dbraw/zinc/27/47/96/414274796.db2.gz	KAQOBRYUQBKWEZ-WCQYABFASA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665325304	414282171	/nfs/dbraw/zinc/28/21/71/414282171.db2.gz	HHGOOWHJVNNAKQ-AWEZNQCLSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccccc1	ZINC000655588413	414332630	/nfs/dbraw/zinc/33/26/30/414332630.db2.gz	GVAOQAOXDRFMRL-ZDUSSCGKSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000659153285	414455502	/nfs/dbraw/zinc/45/55/02/414455502.db2.gz	HWAKZDNVSDWXCW-LBPRGKRZSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])cn1	ZINC000659166107	414460677	/nfs/dbraw/zinc/46/06/77/414460677.db2.gz	IDNDYBYBNWICEI-DGCLKSJQSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1	ZINC000659170543	414461784	/nfs/dbraw/zinc/46/17/84/414461784.db2.gz	YIWLKFYWJIHWRC-ZDUSSCGKSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000659169483	414461912	/nfs/dbraw/zinc/46/19/12/414461912.db2.gz	CDLCJBNUKKSKQY-JTQLQIEISA-N	-1	0	279.361	2.875	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000659183005	414463588	/nfs/dbraw/zinc/46/35/88/414463588.db2.gz	OTFSPPRSGMNALY-RYUDHWBXSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2F)CCC1	ZINC000659223556	414471254	/nfs/dbraw/zinc/47/12/54/414471254.db2.gz	NNSHAYZZRIZKRR-UHFFFAOYSA-N	-1	0	291.322	2.887	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccccc1	ZINC000659216297	414471998	/nfs/dbraw/zinc/47/19/98/414471998.db2.gz	OKTPSLZMGVZKFI-LRDDRELGSA-N	-1	0	293.338	2.665	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655880916	414487220	/nfs/dbraw/zinc/48/72/20/414487220.db2.gz	YVRBKCXVUZNMHP-GRYCIOLGSA-N	-1	0	296.411	2.633	20	30		CFEDRM
C=CCC1(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)CCCCC1	ZINC000655895993	414488020	/nfs/dbraw/zinc/48/80/20/414488020.db2.gz	IYZMDNRCHUQBMS-CYBMUJFWSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCN(C)[C@H](C(=O)[O-])c1ccccc1Br	ZINC000659785120	414551513	/nfs/dbraw/zinc/55/15/13/414551513.db2.gz	BJBORUASFMNKQR-NSHDSACASA-N	-1	0	284.153	2.693	20	30		CFEDRM
C=C1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1	ZINC000663032885	414646323	/nfs/dbraw/zinc/64/63/23/414646323.db2.gz	HSUHIQMWHLVSJT-UHFFFAOYSA-N	-1	0	265.353	2.590	20	30		CFEDRM
C=CCN(CC=C)C(=O)C1(C(=O)[O-])CCCCCC1	ZINC000663085559	414651406	/nfs/dbraw/zinc/65/14/06/414651406.db2.gz	HKFBWPHERWQWPY-UHFFFAOYSA-N	-1	0	265.353	2.612	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@@H](C(=O)[O-])C2CC2)CCCC1	ZINC000663127180	414654012	/nfs/dbraw/zinc/65/40/12/414654012.db2.gz	ZUWQOPKYJJESBJ-ZDUSSCGKSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000040521658	174310699	/nfs/dbraw/zinc/31/06/99/174310699.db2.gz	OUAZURXMWSMXRV-UHFFFAOYSA-N	-1	0	260.293	2.591	20	30		CFEDRM
Cc1ccc(C#N)c(N(C)Cc2ccc(C(=O)[O-])cc2)n1	ZINC000043395301	175035595	/nfs/dbraw/zinc/03/55/95/175035595.db2.gz	ICSAHPJXFPIUKD-UHFFFAOYSA-N	-1	0	281.315	2.596	20	30		CFEDRM
Cc1ccc(C#N)c(NCc2cccc(C(=O)[O-])c2)n1	ZINC000043395299	175035627	/nfs/dbraw/zinc/03/56/27/175035627.db2.gz	IMUFTXXPTXSTSA-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1	ZINC000078807078	177391156	/nfs/dbraw/zinc/39/11/56/177391156.db2.gz	XOPFFQDNQGIAHN-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c[nH]nc2C(C)(C)C)n1	ZINC000344634761	225109505	/nfs/dbraw/zinc/10/95/05/225109505.db2.gz	MRIVEHZIQJTGAR-VIFPVBQESA-N	-1	0	288.376	2.962	20	30		CFEDRM
C[C@H]1C[C@@]1(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000334643102	225233946	/nfs/dbraw/zinc/23/39/46/225233946.db2.gz	CSZKOXRWQJATDG-MADCSZMMSA-N	-1	0	250.685	2.534	20	30		CFEDRM
N#CC(=C([O-])c1cc2c(s1)CCC2)c1ccncn1	ZINC000354479202	227010945	/nfs/dbraw/zinc/01/09/45/227010945.db2.gz	WHTORMIACYJDDO-JTQLQIEISA-N	-1	0	269.329	2.517	20	30		CFEDRM
N#CC(=C([O-])c1cc2c(s1)CCC2)c1ccncn1	ZINC000354479208	227011159	/nfs/dbraw/zinc/01/11/59/227011159.db2.gz	WHTORMIACYJDDO-SNVBAGLBSA-N	-1	0	269.329	2.517	20	30		CFEDRM
N#CCCCN=c1[n-]nc(-c2ccccc2Cl)s1	ZINC000354567277	227035198	/nfs/dbraw/zinc/03/51/98/227035198.db2.gz	DUJVJNCULXPWRQ-UHFFFAOYSA-N	-1	0	278.768	2.996	20	30		CFEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1C[C@H]1C1CC1	ZINC000329116012	227308873	/nfs/dbraw/zinc/30/88/73/227308873.db2.gz	TUXFWHIKMJENQB-NWDGAFQWSA-N	-1	0	284.319	2.811	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000355633995	227931130	/nfs/dbraw/zinc/93/11/30/227931130.db2.gz	AEHDTSDPAZGBMG-JTQLQIEISA-N	-1	0	296.355	2.828	20	30		CFEDRM
C=CCCCCSc1n[n-]c(=NC2CC2)s1	ZINC000518084522	260341746	/nfs/dbraw/zinc/34/17/46/260341746.db2.gz	FSRXWNNQMAHLPG-UHFFFAOYSA-N	-1	0	255.412	2.983	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc1C	ZINC000046929704	260653726	/nfs/dbraw/zinc/65/37/26/260653726.db2.gz	NFLHAKAUIQJSEI-UHFFFAOYSA-N	-1	0	255.339	2.605	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)C(=O)[O-]	ZINC000448993796	260969801	/nfs/dbraw/zinc/96/98/01/260969801.db2.gz	NJVFLACGRWEKOJ-DGCLKSJQSA-N	-1	0	293.388	2.703	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1cscn1	ZINC000103329180	261280265	/nfs/dbraw/zinc/28/02/65/261280265.db2.gz	DKSYHGJOFWISBL-VIFPVBQESA-N	-1	0	282.328	2.520	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184276639	262276226	/nfs/dbraw/zinc/27/62/26/262276226.db2.gz	GACYBXYEKRHAGW-QMMMGPOBSA-N	-1	0	284.718	2.806	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCOCC2CCCC2)s1	ZINC000412981705	262750089	/nfs/dbraw/zinc/75/00/89/262750089.db2.gz	WGWVPTVFPVNBJE-UHFFFAOYSA-N	-1	0	299.465	2.857	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271220087	262994944	/nfs/dbraw/zinc/99/49/44/262994944.db2.gz	OTBZZQSKLCUBBM-BIPXCXPJSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C[C@@H]1COCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000277448873	263041236	/nfs/dbraw/zinc/04/12/36/263041236.db2.gz	QMGMYWKMDBBTOO-GMWWZTKCSA-N	-1	0	298.726	2.798	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cc(F)c([O-])c(F)c2)[C@@H]1C#N	ZINC000277520774	263041707	/nfs/dbraw/zinc/04/17/07/263041707.db2.gz	LQMVDEVYDFNCNG-GFCCVEGCSA-N	-1	0	294.301	2.825	20	30		CFEDRM
C#C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C	ZINC000287220192	263101429	/nfs/dbraw/zinc/10/14/29/263101429.db2.gz	NFEPXFASZYTZQP-GULXKOIASA-N	-1	0	260.293	2.767	20	30		CFEDRM
CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)C(F)F)cc1	ZINC000290130159	263114830	/nfs/dbraw/zinc/11/48/30/263114830.db2.gz	GZTSFCBEYLXNBY-JTQLQIEISA-N	-1	0	288.244	2.830	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2scnc2C)n1	ZINC000118911945	263128967	/nfs/dbraw/zinc/12/89/67/263128967.db2.gz	JJNHZZOACOAUPE-QMMMGPOBSA-N	-1	0	263.347	2.707	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)NC[C@H]2CC=CCC2)s1	ZINC000330693911	264004679	/nfs/dbraw/zinc/00/46/79/264004679.db2.gz	BYFIMRIRGAYHQG-VIFPVBQESA-N	-1	0	298.437	2.754	20	30		CFEDRM
O=C(N[C@H]1C=CCCC1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000330776006	264034979	/nfs/dbraw/zinc/03/49/79/264034979.db2.gz	ZINZEJDPODSKFT-VIFPVBQESA-N	-1	0	262.265	2.714	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@H]2CC=CCC2)s1	ZINC000330868247	264058223	/nfs/dbraw/zinc/05/82/23/264058223.db2.gz	YLHZBYFCZOUOPT-QMMMGPOBSA-N	-1	0	284.410	2.507	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@@H]2CC=CCC2)s1	ZINC000330868246	264058890	/nfs/dbraw/zinc/05/88/90/264058890.db2.gz	YLHZBYFCZOUOPT-MRVPVSSYSA-N	-1	0	284.410	2.507	20	30		CFEDRM
Cc1cnc(C(=O)Nc2cn(C)nc2C(C)C)c([O-])c1	ZINC000331220492	264165890	/nfs/dbraw/zinc/16/58/90/264165890.db2.gz	JMQABXXNGNSWJX-UHFFFAOYSA-N	-1	0	274.324	2.589	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C)c(C#N)cn2)c1	ZINC001243176517	782037840	/nfs/dbraw/zinc/03/78/40/782037840.db2.gz	DGQGWIGVLNHFBS-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCOc1cccc(CN=c2[n-]nc(C(F)(F)F)o2)c1	ZINC000357701192	266348243	/nfs/dbraw/zinc/34/82/43/266348243.db2.gz	PGRDTNQMCOOBLG-UHFFFAOYSA-N	-1	0	299.252	2.687	20	30		CFEDRM
Cc1cnc(-c2cc(C)cc(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001243178868	782039971	/nfs/dbraw/zinc/03/99/71/782039971.db2.gz	SGGMVADEENEYRD-CAOOACKPSA-N	-1	0	270.288	2.872	20	30		CFEDRM
N#Cc1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000192928260	268233617	/nfs/dbraw/zinc/23/36/17/268233617.db2.gz	GRUAEBCTTIXGSI-SNAWJCMRSA-N	-1	0	295.254	2.730	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cnc(C#N)c(F)c2)c1	ZINC001243182404	782042661	/nfs/dbraw/zinc/04/26/61/782042661.db2.gz	LMUXQZQRMSIECE-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000263298116	277781394	/nfs/dbraw/zinc/78/13/94/277781394.db2.gz	TTXZGSDBMAIVGF-DOMZBBRYSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000263494195	277822844	/nfs/dbraw/zinc/82/28/44/277822844.db2.gz	XMUPKEOBXGZHKQ-KGLIPLIRSA-N	-1	0	279.380	2.905	20	30		CFEDRM
Cc1cc(C#N)cnc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000551762071	281841262	/nfs/dbraw/zinc/84/12/62/281841262.db2.gz	HMCKRGBQUOYIMP-UHFFFAOYSA-N	-1	0	287.706	2.873	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1CCCC[C@H]1C1CC1	ZINC000565836602	290329111	/nfs/dbraw/zinc/32/91/11/290329111.db2.gz	QYFDPALHNZPGGR-QWHCGFSZSA-N	-1	0	298.390	2.736	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243194467	782055956	/nfs/dbraw/zinc/05/59/56/782055956.db2.gz	AEWUMRKFEXKAEE-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
Cc1ccc(-c2cncc(CC#N)c2)cc1C(=O)[O-]	ZINC001243196608	782057999	/nfs/dbraw/zinc/05/79/99/782057999.db2.gz	CCLBYSHVPCYMPF-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2C)nc1CC#N	ZINC001243203128	782063350	/nfs/dbraw/zinc/06/33/50/782063350.db2.gz	KFMLSLYYOSSUQV-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(OCC#N)cn1	ZINC001243203245	782063571	/nfs/dbraw/zinc/06/35/71/782063571.db2.gz	KYACHLOOHFFORW-UHFFFAOYSA-N	-1	0	268.272	2.658	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2cc(Cl)ccc2C#N)C1	ZINC000062926479	300785062	/nfs/dbraw/zinc/78/50/62/300785062.db2.gz	VHAPCNADQUVKES-ZDUSSCGKSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cccnc1CC#N	ZINC001243204557	782064234	/nfs/dbraw/zinc/06/42/34/782064234.db2.gz	FGOUDNIPQFKGPQ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ccc2ncc(C#N)n2c1	ZINC001243206403	782066182	/nfs/dbraw/zinc/06/61/82/782066182.db2.gz	WRNPEEPLNUBZEF-UHFFFAOYSA-N	-1	0	277.283	2.880	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(C)c2)nc1C#N	ZINC001243210415	782070660	/nfs/dbraw/zinc/07/06/60/782070660.db2.gz	HOBDZFXGJPZSML-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2cc(CC#N)ccn2)ccc1C(=O)[O-]	ZINC001243213349	782074166	/nfs/dbraw/zinc/07/41/66/782074166.db2.gz	ZSZGUTROPYOHSG-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(C)c2)cc1C#N	ZINC001243213995	782074473	/nfs/dbraw/zinc/07/44/73/782074473.db2.gz	JTEMBMDEXRAMGZ-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C=CCCC[C@@H](C)N=c1[n-]c(C2CCOCC2)no1	ZINC000413234046	328142939	/nfs/dbraw/zinc/14/29/39/328142939.db2.gz	VVYPZYLMXUZKGE-LLVKDONJSA-N	-1	0	265.357	2.542	20	30		CFEDRM
C[C@@](C#N)(CCc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000264810766	328162013	/nfs/dbraw/zinc/16/20/13/328162013.db2.gz	XCLLHNLCIRXZOE-LBPRGKRZSA-N	-1	0	270.254	2.580	20	30		CFEDRM
COc1ccc(C(F)(F)C(=O)N[C@@]2(C#N)CC2(C)C)cc1	ZINC000291516059	328264041	/nfs/dbraw/zinc/26/40/41/328264041.db2.gz	XHGRWKJRMNMEIF-CQSZACIVSA-N	-1	0	294.301	2.595	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1OC	ZINC000048518509	328309509	/nfs/dbraw/zinc/30/95/09/328309509.db2.gz	QONXPQGYPGQEFM-KTKRTIGZSA-N	-1	0	297.376	2.795	20	30		CFEDRM
Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000181141605	323802185	/nfs/dbraw/zinc/80/21/85/323802185.db2.gz	VHHYCRJRPRHFFM-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CC(=Cc1sccc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193610682	324074339	/nfs/dbraw/zinc/07/43/39/324074339.db2.gz	FNYAAOKGSHGYHQ-TWGQIWQCSA-N	-1	0	271.345	2.880	20	30		CFEDRM
COc1cc(-c2cccc(C(=O)[O-])c2)ccc1C#N	ZINC000583146383	325264011	/nfs/dbraw/zinc/26/40/11/325264011.db2.gz	XGOGJLLFJUTUHB-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1ccncn1	ZINC000530500185	326819962	/nfs/dbraw/zinc/81/99/62/326819962.db2.gz	MFWZCEZWLOIZCW-NSHDSACASA-N	-1	0	298.371	2.684	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000398202897	326874652	/nfs/dbraw/zinc/87/46/52/326874652.db2.gz	GCZAJRYHYPLDLB-RWMBFGLXSA-N	-1	0	282.384	2.626	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000171530530	329077200	/nfs/dbraw/zinc/07/72/00/329077200.db2.gz	YCYFFVUTPWAKKE-SECBINFHSA-N	-1	0	267.244	2.614	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000393763102	329089554	/nfs/dbraw/zinc/08/95/54/329089554.db2.gz	PHGREYYJYGFNED-FQUUOJAGSA-N	-1	0	294.395	2.768	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)cc(Cl)c1	ZINC000230017306	329362366	/nfs/dbraw/zinc/36/23/66/329362366.db2.gz	NDYKISGRBKSFGM-SNVBAGLBSA-N	-1	0	276.720	2.523	20	30		CFEDRM
Cc1ncccc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190886184	329401814	/nfs/dbraw/zinc/40/18/14/329401814.db2.gz	MATNBJGWJXCGEH-CYBMUJFWSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](CCCC)C(=O)[O-]	ZINC000398224898	329440433	/nfs/dbraw/zinc/44/04/33/329440433.db2.gz	POKWLMDEOILPQW-VXGBXAGGSA-N	-1	0	270.373	2.674	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000262232515	330002042	/nfs/dbraw/zinc/00/20/42/330002042.db2.gz	VLLAKRQCOMFHAD-ZDUSSCGKSA-N	-1	0	267.369	2.618	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)c1ccc(F)cc1)C(=O)[O-]	ZINC000262803742	330032737	/nfs/dbraw/zinc/03/27/37/330032737.db2.gz	CVPCKABRBATAOO-UONOGXRCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000262855058	330035462	/nfs/dbraw/zinc/03/54/62/330035462.db2.gz	IEVCPANWNMHBGP-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)[O-]	ZINC000262909688	330036662	/nfs/dbraw/zinc/03/66/62/330036662.db2.gz	MZTFVEHPFZLSFA-CQSZACIVSA-N	-1	0	292.379	2.835	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262982509	330038042	/nfs/dbraw/zinc/03/80/42/330038042.db2.gz	UNGVMRYNEGVQSY-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000262987534	330038163	/nfs/dbraw/zinc/03/81/63/330038163.db2.gz	LCXRJPNFUBZLPV-JQWIXIFHSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCc1ccc(C)cc1)C(=O)[O-]	ZINC000263023475	330038929	/nfs/dbraw/zinc/03/89/29/330038929.db2.gz	YGJIPROUTCDEHE-HNNXBMFYSA-N	-1	0	289.375	2.853	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000263154734	330046376	/nfs/dbraw/zinc/04/63/76/330046376.db2.gz	HVERHFJKBSQLCK-VIFPVBQESA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC000263221532	330049750	/nfs/dbraw/zinc/04/97/50/330049750.db2.gz	QUEKQNJJBFTDRH-BDJLRTHQSA-N	-1	0	293.338	2.844	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000263247704	330050693	/nfs/dbraw/zinc/05/06/93/330050693.db2.gz	DHXHBNOPEZNMJX-SNVBAGLBSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CCC1(CNC(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000263350185	330052739	/nfs/dbraw/zinc/05/27/39/330052739.db2.gz	HOQWCOROKJWDEU-CYBMUJFWSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)NCCCC(=O)[O-]	ZINC000263490108	330057637	/nfs/dbraw/zinc/05/76/37/330057637.db2.gz	QWZUSYQHAVSZAY-UHFFFAOYSA-N	-1	0	290.363	2.639	20	30		CFEDRM
C=CCC[C@H](CO)N=c1nc(-c2ccccc2C)[n-]s1	ZINC000528031495	330305357	/nfs/dbraw/zinc/30/53/57/330305357.db2.gz	VMMFFVTWUPBRRD-GFCCVEGCSA-N	-1	0	289.404	2.674	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NCCC(C)(C)C(=O)[O-]	ZINC000424398774	330350183	/nfs/dbraw/zinc/35/01/83/330350183.db2.gz	AWBXSZJIOBTGBV-UHFFFAOYSA-N	-1	0	284.400	2.875	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000537482265	330437885	/nfs/dbraw/zinc/43/78/85/330437885.db2.gz	QGRZEXWYOHGSDE-UHFFFAOYSA-N	-1	0	279.380	2.858	20	30		CFEDRM
N#CCc1ccc(CN=c2[n-]nc(C(F)(F)F)s2)cc1	ZINC000516056149	330486331	/nfs/dbraw/zinc/48/63/31/330486331.db2.gz	MKBDVFDCAGPQQH-UHFFFAOYSA-N	-1	0	298.293	2.657	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000430528214	330568843	/nfs/dbraw/zinc/56/88/43/330568843.db2.gz	XEGHKHNJEXHIRQ-LLVKDONJSA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000156229040	330727043	/nfs/dbraw/zinc/72/70/43/330727043.db2.gz	BWTTVQCLXYEMMQ-UHFFFAOYSA-N	-1	0	269.703	2.999	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000439940234	330744988	/nfs/dbraw/zinc/74/49/88/330744988.db2.gz	LFEMCKUKVYFQSK-HIFRSBDPSA-N	-1	0	289.375	2.882	20	30		CFEDRM
Cc1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000453582611	331134797	/nfs/dbraw/zinc/13/47/97/331134797.db2.gz	NWZVEIPGBDDETN-LLVKDONJSA-N	-1	0	271.345	2.953	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]CC(F)(F)c1ccccc1	ZINC000489826653	332069266	/nfs/dbraw/zinc/06/92/66/332069266.db2.gz	HOIPZWPZXCRYLK-UHFFFAOYSA-N	-1	0	289.347	2.664	20	30		CFEDRM
C=CCn1cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000489986928	332075694	/nfs/dbraw/zinc/07/56/94/332075694.db2.gz	QKXPKOONJCELGY-UHFFFAOYSA-N	-1	0	287.275	2.540	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000177070698	333053156	/nfs/dbraw/zinc/05/31/56/333053156.db2.gz	OTXHEFPVTRRYGZ-UHFFFAOYSA-N	-1	0	299.330	2.737	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C\c1ccccc1C)C(=O)[O-]	ZINC000316729873	333403819	/nfs/dbraw/zinc/40/38/19/333403819.db2.gz	YVXZMQQGDVPBHS-IWMPZKFUSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C[C@H](C#N)CNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080032453	334165295	/nfs/dbraw/zinc/16/52/95/334165295.db2.gz	NNYUFDAWPDIRGT-ZCFIWIBFSA-N	-1	0	273.119	2.588	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n1	ZINC000576941736	335267074	/nfs/dbraw/zinc/26/70/74/335267074.db2.gz	HTBDMKXVEQMMDO-NSHDSACASA-N	-1	0	293.330	2.578	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(CCC)[C@H](CC)C(=O)[O-]	ZINC000579322396	335734292	/nfs/dbraw/zinc/73/42/92/335734292.db2.gz	FHANPOUZKODHJX-NWDGAFQWSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2C=CCCC2)s1	ZINC000381151429	336052717	/nfs/dbraw/zinc/05/27/17/336052717.db2.gz	PCCHBWOZDYDWAP-VIFPVBQESA-N	-1	0	253.396	2.759	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1sc(CC)cc1C#N	ZINC000581432763	336076779	/nfs/dbraw/zinc/07/67/79/336076779.db2.gz	JSJFIJINKAATHG-UHFFFAOYSA-N	-1	0	284.406	2.890	20	30		CFEDRM
C=C(C)C[N@H+](CC)CCOc1ccccc1C(=O)[O-]	ZINC000382504263	336091721	/nfs/dbraw/zinc/09/17/21/336091721.db2.gz	TXGGFCRVSSPSSH-UHFFFAOYSA-N	-1	0	263.337	2.662	20	30		CFEDRM
C=C(C)CCNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000386727290	336177414	/nfs/dbraw/zinc/17/74/14/336177414.db2.gz	AKGFCOBIGZYVBY-MRXNPFEDSA-N	-1	0	275.348	2.501	20	30		CFEDRM
N#Cc1cccnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322636	782137716	/nfs/dbraw/zinc/13/77/16/782137716.db2.gz	JORGRGBQKCFKJG-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(F)c1	ZINC000307918431	519196626	/nfs/dbraw/zinc/19/66/26/519196626.db2.gz	UPOBVJCWEXPTLH-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000262213024	534563317	/nfs/dbraw/zinc/56/33/17/534563317.db2.gz	WDALZFNAGLRHDU-ZNMIVQPWSA-N	-1	0	291.391	2.999	20	30		CFEDRM
CCC(CC)(CNc1ccc(C#N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000165055376	521445563	/nfs/dbraw/zinc/44/55/63/521445563.db2.gz	SPJZMVUWRZAVPG-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)c(C#N)c1	ZINC000163842098	524395577	/nfs/dbraw/zinc/39/55/77/524395577.db2.gz	DWWQLMDWOMUNCV-ZETCQYMHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
N#Cc1c(F)cccc1/C=C\c1cc(C(=O)[O-])ccn1	ZINC000357081634	526521995	/nfs/dbraw/zinc/52/19/95/526521995.db2.gz	WCVYBRPNWCEJPB-PLNGDYQASA-N	-1	0	268.247	2.961	20	30		CFEDRM
C[C@H](C/N=C\c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736583780	574061717	/nfs/dbraw/zinc/06/17/17/574061717.db2.gz	BRGCHCGTVLHMEL-MQHRVFIMSA-N	-1	0	257.289	2.685	20	30		CFEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000736773637	574071648	/nfs/dbraw/zinc/07/16/48/574071648.db2.gz	UTQKIPXGBYAKGT-ZBEGNZNMSA-N	-1	0	286.331	2.587	20	30		CFEDRM
Cc1ccc2c(c1)C(=NNc1nc(C)cc(=O)[nH]1)CCC2	ZINC000753922520	574082054	/nfs/dbraw/zinc/08/20/54/574082054.db2.gz	SSJKJVYHRYVMFV-UHFFFAOYSA-N	-1	0	282.347	2.952	20	30		CFEDRM
C=C(Cl)CNC(=O)CC[C@H](NC(=O)[O-])c1ccccc1	ZINC000738485740	574089434	/nfs/dbraw/zinc/08/94/34/574089434.db2.gz	QBEPBHWYQXRRJS-LBPRGKRZSA-N	-1	0	296.754	2.644	20	30		CFEDRM
CCCCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736983281	574090952	/nfs/dbraw/zinc/09/09/52/574090952.db2.gz	DLROKOKHOSTQRT-AWEZNQCLSA-N	-1	0	275.304	2.807	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1	ZINC000738488769	574091509	/nfs/dbraw/zinc/09/15/09/574091509.db2.gz	MPSQDVSQCUSLNE-VIFPVBQESA-N	-1	0	293.323	2.871	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)c1ccc(O)c(F)c1	ZINC000731321645	574116690	/nfs/dbraw/zinc/11/66/90/574116690.db2.gz	MZQQSNKIMXSYJE-UHFFFAOYSA-N	-1	0	263.247	2.902	20	30		CFEDRM
CCOc1ccc(/C=N/C2CCC(C(=O)[O-])CC2)c(O)c1	ZINC000737200762	574118331	/nfs/dbraw/zinc/11/83/31/574118331.db2.gz	UYPLVFWUNXSUMV-LICLKQGHSA-N	-1	0	291.347	2.853	20	30		CFEDRM
CCOc1cccc(/C=N/C[C@@H](CC(C)C)C(=O)[O-])c1O	ZINC000737209796	574118706	/nfs/dbraw/zinc/11/87/06/574118706.db2.gz	GFGQBVCGVWEKEJ-LFMVTYOGSA-N	-1	0	293.363	2.957	20	30		CFEDRM
C=CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(C)C	ZINC000746217734	574140487	/nfs/dbraw/zinc/14/04/87/574140487.db2.gz	ATNZEHDHMMYHQB-UHFFFAOYSA-N	-1	0	299.374	2.511	20	30		CFEDRM
CN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737491686	574144703	/nfs/dbraw/zinc/14/47/03/574144703.db2.gz	FNVCVCVIJVPBPK-MRXNPFEDSA-N	-1	0	298.317	2.955	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C1CCN(C(=O)[O-])CC1	ZINC000737527425	574146313	/nfs/dbraw/zinc/14/63/13/574146313.db2.gz	GFYHINIHWAGRNI-UHFFFAOYSA-N	-1	0	282.384	2.581	20	30		CFEDRM
CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1	ZINC000746394800	574147699	/nfs/dbraw/zinc/14/76/99/574147699.db2.gz	RPRMRCNIAORWGF-KWZJRMENSA-N	-1	0	292.335	2.925	20	30		CFEDRM
COc1cccc(C=Nc2cccc(CC(=O)[O-])c2)c1O	ZINC000738114746	574157832	/nfs/dbraw/zinc/15/78/32/574157832.db2.gz	ADXBTDFMFZJFIJ-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
CCn1nc(C)c(C=NNc2ccc(C(=O)[O-])cc2)c1C	ZINC000755455106	574163342	/nfs/dbraw/zinc/16/33/42/574163342.db2.gz	LDDMUEJLIFMSNN-UHFFFAOYSA-N	-1	0	286.335	2.664	20	30		CFEDRM
Cc1c(NC(=O)NCCCCC#N)cccc1C(=O)[O-]	ZINC000738305336	574163730	/nfs/dbraw/zinc/16/37/30/574163730.db2.gz	ZGCSBFNHJBVLFL-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cn1	ZINC000732714854	574167276	/nfs/dbraw/zinc/16/72/76/574167276.db2.gz	YZEGOANOPPFITR-YVMONPNESA-N	-1	0	298.342	2.987	20	30		CFEDRM
N#CC1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CCCC1	ZINC000738423510	574168198	/nfs/dbraw/zinc/16/81/98/574168198.db2.gz	SHMPOKPMIQSSHU-UHFFFAOYSA-N	-1	0	274.276	2.766	20	30		CFEDRM
N#CCC[C@@H](C#N)CNc1ccc(NC(=O)[O-])cc1	ZINC000738428339	574168241	/nfs/dbraw/zinc/16/82/41/574168241.db2.gz	LWRWGJXQJAQGER-JTQLQIEISA-N	-1	0	258.281	2.632	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1	ZINC000738432282	574168815	/nfs/dbraw/zinc/16/88/15/574168815.db2.gz	GQAMIOOLWZCEPJ-UHFFFAOYSA-N	-1	0	266.300	2.797	20	30		CFEDRM
N#Cc1ccsc1C(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000738434911	574168869	/nfs/dbraw/zinc/16/88/69/574168869.db2.gz	GUQDZFVNTAWAFD-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
Cc1nn(C)cc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000755598026	574170616	/nfs/dbraw/zinc/17/06/16/574170616.db2.gz	BDSHPSJIXRQORS-ONEGZZNKSA-N	-1	0	278.258	2.608	20	30		CFEDRM
Cc1ccc2ncc(C=NNc3ccccc3C(=O)[O-])n2c1	ZINC000755599600	574170896	/nfs/dbraw/zinc/17/08/96/574170896.db2.gz	CNAFEAFSRCCCSE-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738495383	574171494	/nfs/dbraw/zinc/17/14/94/574171494.db2.gz	XSLXECAKMIJWIU-UHFFFAOYSA-N	-1	0	289.118	2.912	20	30		CFEDRM
O=C([O-])C1CCC(=NNCCCOc2ccccc2)CC1	ZINC000738530726	574171909	/nfs/dbraw/zinc/17/19/09/574171909.db2.gz	HATHYTDDLRJNQD-UHFFFAOYSA-N	-1	0	290.363	2.676	20	30		CFEDRM
Cc1ccc(OC(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1	ZINC000738636845	574177820	/nfs/dbraw/zinc/17/78/20/574177820.db2.gz	DZMHZWLYPCIYKO-UHFFFAOYSA-N	-1	0	281.267	2.784	20	30		CFEDRM
C[C@@H](CCC(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000755740340	574183146	/nfs/dbraw/zinc/18/31/46/574183146.db2.gz	LFCKIJQWSDKJPH-RYUDHWBXSA-N	-1	0	289.379	2.774	20	30		CFEDRM
C[C@@]1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1	ZINC000733080836	574187204	/nfs/dbraw/zinc/18/72/04/574187204.db2.gz	CXCKWWWAVKMFNR-CODCLWSRSA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1sc(NC(=O)CCCN(C)C(=O)[O-])c(C#N)c1C	ZINC000738992790	574192779	/nfs/dbraw/zinc/19/27/79/574192779.db2.gz	GSRYBEPDVDXGHD-UHFFFAOYSA-N	-1	0	295.364	2.565	20	30		CFEDRM
N#C[C@@H](C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000739075703	574196541	/nfs/dbraw/zinc/19/65/41/574196541.db2.gz	UZCJERGGLIECPW-CQSZACIVSA-N	-1	0	294.310	2.589	20	30		CFEDRM
N#CCCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000739069564	574196575	/nfs/dbraw/zinc/19/65/75/574196575.db2.gz	SKCKTUPSOHSBAR-FNORWQNLSA-N	-1	0	289.291	2.798	20	30		CFEDRM
N#CC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCC1	ZINC000739075338	574196598	/nfs/dbraw/zinc/19/65/98/574196598.db2.gz	RJZUAFRTLAWNRQ-LBPRGKRZSA-N	-1	0	298.342	2.675	20	30		CFEDRM
C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739194354	574200582	/nfs/dbraw/zinc/20/05/82/574200582.db2.gz	QTQDZVOMBGAAAL-SKDRFNHKSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H]1OCCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000747737065	574209016	/nfs/dbraw/zinc/20/90/16/574209016.db2.gz	UFHKWOQUJVGDNG-SSDOTTSWSA-N	-1	0	268.700	2.615	20	30		CFEDRM
O=C([O-])COc1cccc(C=NNc2ccc(F)cc2)c1	ZINC000733200942	574210729	/nfs/dbraw/zinc/21/07/29/574210729.db2.gz	MOQSXQIDYBFKRQ-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
O=C([O-])COc1cccc(C=NNc2cccc(F)c2)c1	ZINC000733203447	574210800	/nfs/dbraw/zinc/21/08/00/574210800.db2.gz	JZXWFJQQUZDZGP-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\C[C@H](NC(=O)[O-])C(C)C)c1	ZINC000739504763	574215759	/nfs/dbraw/zinc/21/57/59/574215759.db2.gz	OKCXHXKARYTHTB-TUTDSIAXSA-N	-1	0	294.351	2.502	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccon2)c1[O-]	ZINC000747864231	574216117	/nfs/dbraw/zinc/21/61/17/574216117.db2.gz	LRVKFNHWQQUGPY-WLRTZDKTSA-N	-1	0	281.655	2.561	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/COc3ccc(F)cc3C2=O)o1	ZINC000740124396	574237485	/nfs/dbraw/zinc/23/74/85/574237485.db2.gz	XPSPWQFVXSEPHV-YVMONPNESA-N	-1	0	288.230	2.776	20	30		CFEDRM
N#Cc1cc(NC[C@@H]2CCCN2C(=O)[O-])nc2ccccc12	ZINC000740313098	574246512	/nfs/dbraw/zinc/24/65/12/574246512.db2.gz	IQWYXTBXDVYLRD-LBPRGKRZSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]1CNC(=O)[O-]	ZINC000740310066	574246649	/nfs/dbraw/zinc/24/66/49/574246649.db2.gz	ANKRTMSQESYVIQ-JOYOIKCWSA-N	-1	0	277.299	2.546	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O	ZINC000740521676	574253713	/nfs/dbraw/zinc/25/37/13/574253713.db2.gz	UELOEYQGUHMVJK-YRUBURHZSA-N	-1	0	299.330	2.502	20	30		CFEDRM
CC(=NNc1ccncc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000756842398	574267207	/nfs/dbraw/zinc/26/72/07/574267207.db2.gz	QBRHAJIRTQCRAH-UHFFFAOYSA-N	-1	0	289.722	2.691	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(N)cc1	ZINC000756899098	574271543	/nfs/dbraw/zinc/27/15/43/574271543.db2.gz	PYWGGDHQNSZJKC-UHFFFAOYSA-N	-1	0	299.330	2.812	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cncs1	ZINC000734744202	574300747	/nfs/dbraw/zinc/30/07/47/574300747.db2.gz	FUXCSQQQTZTNSC-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1c[nH]c2ncccc12	ZINC000741760231	574301614	/nfs/dbraw/zinc/30/16/14/574301614.db2.gz	VQUFZUUJDMHJDX-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)c2ccsc2)c1	ZINC000739427607	574310141	/nfs/dbraw/zinc/31/01/41/574310141.db2.gz	WBLHXMLWRDWIFD-KKMLBMJLSA-N	-1	0	292.316	2.514	20	30		CFEDRM
C[C@@H](Cc1ccncc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000749844081	574312641	/nfs/dbraw/zinc/31/26/41/574312641.db2.gz	HCOBDZUFAVLZSE-MUOOZZNISA-N	-1	0	285.303	2.746	20	30		CFEDRM
C=CCCC(=O)N(CCC)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000735410337	574322917	/nfs/dbraw/zinc/32/29/17/574322917.db2.gz	ZMDSDSIMSBOJCP-UHFFFAOYSA-N	-1	0	299.378	2.572	20	30		CFEDRM
COc1cccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000725853235	574332058	/nfs/dbraw/zinc/33/20/58/574332058.db2.gz	OUTXSXXCRRRQKX-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
Cc1ccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000725859071	574335416	/nfs/dbraw/zinc/33/54/16/574335416.db2.gz	PNNYNAJDAWJEEZ-UHFFFAOYSA-N	-1	0	295.367	2.876	20	30		CFEDRM
C#CCOc1cccc(OC(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000736087206	574350194	/nfs/dbraw/zinc/35/01/94/574350194.db2.gz	DTRNYMNBPAZIHC-UHFFFAOYSA-N	-1	0	296.278	2.616	20	30		CFEDRM
C=CCCOCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736107941	574350241	/nfs/dbraw/zinc/35/02/41/574350241.db2.gz	BMBPLRNAGZKOQQ-ZDUSSCGKSA-N	-1	0	298.722	2.602	20	30		CFEDRM
C=CCCOC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000736102472	574350255	/nfs/dbraw/zinc/35/02/55/574350255.db2.gz	JQURSKPSADMIRD-SNVBAGLBSA-N	-1	0	280.345	2.985	20	30		CFEDRM
C#CCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1	ZINC000736089753	574350345	/nfs/dbraw/zinc/35/03/45/574350345.db2.gz	PMWPONYERKSNEF-INIZCTEOSA-N	-1	0	281.311	2.936	20	30		CFEDRM
C=CCCCOC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000736102773	574350497	/nfs/dbraw/zinc/35/04/97/574350497.db2.gz	XTDWEFPOKMCBTH-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
C=CCOCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21	ZINC000736109255	574350665	/nfs/dbraw/zinc/35/06/65/574350665.db2.gz	DGPMZQPXMVTQPO-UHFFFAOYSA-N	-1	0	286.283	2.646	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cc(C)c(C(=O)[O-])o2)c1	ZINC000736090552	574350778	/nfs/dbraw/zinc/35/07/78/574350778.db2.gz	BYIHOZYDFZLUBQ-UHFFFAOYSA-N	-1	0	269.300	2.904	20	30		CFEDRM
C[C@H](C#N)C(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000736201953	574354318	/nfs/dbraw/zinc/35/43/18/574354318.db2.gz	LCXPCLDODSCJQH-SECBINFHSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H]2C)o1	ZINC000736259574	574358346	/nfs/dbraw/zinc/35/83/46/574358346.db2.gz	FHGBQVVZVQQGBU-MRVPVSSYSA-N	-1	0	289.343	2.566	20	30		CFEDRM
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCC(=O)[O-])cc1	ZINC000736297095	574360770	/nfs/dbraw/zinc/36/07/70/574360770.db2.gz	MVHDFAGBSNEXRJ-CYBMUJFWSA-N	-1	0	288.347	2.530	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC3(CCOCC3)CC2)n1	ZINC000751518159	574378175	/nfs/dbraw/zinc/37/81/75/574378175.db2.gz	ZQFOXMNNXYNLAK-UHFFFAOYSA-N	-1	0	290.367	2.629	20	30		CFEDRM
N#Cc1c(NCc2ccc(C(=O)[O-])cc2)nc2ccccn21	ZINC000821324790	597719696	/nfs/dbraw/zinc/71/96/96/597719696.db2.gz	NWLIAAWOSRHXCL-UHFFFAOYSA-N	-1	0	292.298	2.516	20	30		CFEDRM
CC(=NNCCC(=O)[O-])c1ccc(-c2ccncc2)cc1	ZINC000819726877	597739177	/nfs/dbraw/zinc/73/91/77/597739177.db2.gz	VRLGQRJKLJORHB-UHFFFAOYSA-N	-1	0	283.331	2.537	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ncnc3ccsc32)CC1	ZINC000814880121	598097701	/nfs/dbraw/zinc/09/77/01/598097701.db2.gz	RFQUFCFDILIQQQ-UHFFFAOYSA-N	-1	0	290.348	2.734	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2nncc3ccccc32)c1	ZINC000814706219	598201113	/nfs/dbraw/zinc/20/11/13/598201113.db2.gz	VGDQTVYMDCGVKR-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
O=C([O-])c1cccc(C=Nn2cnc3ccccc32)c1	ZINC000814779124	598201453	/nfs/dbraw/zinc/20/14/53/598201453.db2.gz	GRONALBNLUFKLU-UHFFFAOYSA-N	-1	0	265.272	2.617	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1cccc(OCCCC#N)c1	ZINC000820089054	598217572	/nfs/dbraw/zinc/21/75/72/598217572.db2.gz	KISZIKIITSZLAR-NSHDSACASA-N	-1	0	262.309	2.644	20	30		CFEDRM
C[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])c2ccccc21	ZINC000820237744	598224122	/nfs/dbraw/zinc/22/41/22/598224122.db2.gz	CVKYHAZLAKWQSQ-ZBEGNZNMSA-N	-1	0	286.331	2.531	20	30		CFEDRM
Cc1sc(NC(=O)N(C)C[C@H](C)C#N)c(C(=O)[O-])c1C	ZINC000062828224	599879571	/nfs/dbraw/zinc/87/95/71/599879571.db2.gz	LSTPDJBXKANHPC-SSDOTTSWSA-N	-1	0	295.364	2.687	20	30		CFEDRM
N#Cc1cnc(NC2CCC(C(=O)[O-])CC2)c(Cl)c1	ZINC000263539995	600006471	/nfs/dbraw/zinc/00/64/71/600006471.db2.gz	CAYBSWDSYWRNCL-UHFFFAOYSA-N	-1	0	279.727	2.662	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000163148377	600268414	/nfs/dbraw/zinc/26/84/14/600268414.db2.gz	OPPQOXVNYXESGJ-ZETCQYMHSA-N	-1	0	284.262	2.749	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000163148492	600268436	/nfs/dbraw/zinc/26/84/36/600268436.db2.gz	OPPQOXVNYXESGJ-SSDOTTSWSA-N	-1	0	284.262	2.749	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000163199339	600269790	/nfs/dbraw/zinc/26/97/90/600269790.db2.gz	OLMSGMXARNZKFF-NSHDSACASA-N	-1	0	276.336	2.790	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147444252	600288559	/nfs/dbraw/zinc/28/85/59/600288559.db2.gz	SHFAUOZWWCJMPC-MRVPVSSYSA-N	-1	0	295.726	2.662	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1	ZINC000738423450	600584393	/nfs/dbraw/zinc/58/43/93/600584393.db2.gz	RTMGMOMNMFORFP-UHFFFAOYSA-N	-1	0	278.695	2.671	20	30		CFEDRM
C[C@H](CSCc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000086108743	600598675	/nfs/dbraw/zinc/59/86/75/600598675.db2.gz	YIBWCYKYSAFAIC-MRVPVSSYSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000820136246	600790297	/nfs/dbraw/zinc/79/02/97/600790297.db2.gz	MGEKTYNYLYSXQL-NSHDSACASA-N	-1	0	294.310	2.747	20	30		CFEDRM
COc1ccc(O)c(/C=N\C[C@@H](CC(C)C)C(=O)[O-])c1	ZINC000738040642	600816866	/nfs/dbraw/zinc/81/68/66/600816866.db2.gz	BALAWJIXHWLLMK-VJMCZWTHSA-N	-1	0	279.336	2.567	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C)c(C(=O)[O-])s1	ZINC000825698885	600965719	/nfs/dbraw/zinc/96/57/19/600965719.db2.gz	ORRMNQPDPFCUAE-UHFFFAOYSA-N	-1	0	283.349	2.676	20	30		CFEDRM
CN(CC#N)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000830660649	600993166	/nfs/dbraw/zinc/99/31/66/600993166.db2.gz	AMBSULFHSUEULZ-JTQLQIEISA-N	-1	0	273.119	2.574	20	30		CFEDRM
C#Cc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1	ZINC000094704758	601001346	/nfs/dbraw/zinc/00/13/46/601001346.db2.gz	SUDIEFKAWIYDAS-ZDUSSCGKSA-N	-1	0	288.347	2.536	20	30		CFEDRM
C=CCCCC(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000825671656	601126684	/nfs/dbraw/zinc/12/66/84/601126684.db2.gz	YXOBIXQVADFJSL-UHFFFAOYSA-N	-1	0	259.305	2.630	20	30		CFEDRM
C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(C#N)cc1	ZINC000827833471	601132967	/nfs/dbraw/zinc/13/29/67/601132967.db2.gz	JCWNRZPFULATQE-LLVKDONJSA-N	-1	0	290.319	2.552	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000825671099	601162748	/nfs/dbraw/zinc/16/27/48/601162748.db2.gz	CHMFUVPUEBTYCI-IUODEOHRSA-N	-1	0	275.348	2.921	20	30		CFEDRM
Cc1csc(C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000832988855	601235842	/nfs/dbraw/zinc/23/58/42/601235842.db2.gz	KTBCNCFGYOTLFI-HBNTYKKESA-N	-1	0	292.360	2.519	20	30		CFEDRM
O=C([O-])CNc1ccccc1C#Cc1ccccc1	ZINC000833252878	601303033	/nfs/dbraw/zinc/30/30/33/601303033.db2.gz	OVLQBOMABAXJTH-UHFFFAOYSA-N	-1	0	251.285	2.583	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3c(cccc3F)C2=O)[nH]1	ZINC000833312359	601332230	/nfs/dbraw/zinc/33/22/30/601332230.db2.gz	OGSFLQKSGWJKBV-VURMDHGXSA-N	-1	0	271.247	2.674	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(F)ccc3C2=O)[nH]1	ZINC000833312271	601332730	/nfs/dbraw/zinc/33/27/30/601332730.db2.gz	NBOYTQWNLBMZMS-VQHVLOKHSA-N	-1	0	271.247	2.674	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)[C@H]2CC23CCCC3)C(=O)[O-])cc1	ZINC000833071632	601341342	/nfs/dbraw/zinc/34/13/42/601341342.db2.gz	HWVZVXXOUADHMF-ZIAGYGMSSA-N	-1	0	299.326	2.807	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CC=CCC2)C(=O)[O-])c1	ZINC000833075099	601345989	/nfs/dbraw/zinc/34/59/89/601345989.db2.gz	HOFJTONJVNHIDI-JSGCOSHPSA-N	-1	0	285.299	2.583	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(C#N)cc1	ZINC000830390680	601458628	/nfs/dbraw/zinc/45/86/28/601458628.db2.gz	NCEAZOGEPKJDEY-UHFFFAOYSA-N	-1	0	299.282	2.769	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000042451618	601477876	/nfs/dbraw/zinc/47/78/76/601477876.db2.gz	AMFNGRKUCRMGKK-UHFFFAOYSA-N	-1	0	295.726	2.806	20	30		CFEDRM
CCc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)o1	ZINC000830229130	601510463	/nfs/dbraw/zinc/51/04/63/601510463.db2.gz	LFXYPLSYXSBXOP-DAXSKMNVSA-N	-1	0	259.261	2.764	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@@](F)(C(=O)[O-])C1	ZINC000829357714	601653452	/nfs/dbraw/zinc/65/34/52/601653452.db2.gz	UYXHJJVDPVHLLD-AWEZNQCLSA-N	-1	0	273.348	2.762	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000825653800	601754274	/nfs/dbraw/zinc/75/42/74/601754274.db2.gz	SITDVZQLZPMZGH-JTQLQIEISA-N	-1	0	292.335	2.868	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000825653802	601754369	/nfs/dbraw/zinc/75/43/69/601754369.db2.gz	SITDVZQLZPMZGH-SNVBAGLBSA-N	-1	0	292.335	2.868	20	30		CFEDRM
C[C@H](SCc1ccc(C#N)cc1OC(F)F)C(=O)[O-]	ZINC000818065619	601782434	/nfs/dbraw/zinc/78/24/34/601782434.db2.gz	IAEXDKDFODNXQV-ZETCQYMHSA-N	-1	0	287.287	2.866	20	30		CFEDRM
Cc1cccc2c1C/C(=C/c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832974451	601793073	/nfs/dbraw/zinc/79/30/73/601793073.db2.gz	MUDAZUDIIQGMEQ-WZUFQYTHSA-N	-1	0	267.284	2.844	20	30		CFEDRM
Cc1cc(C)c2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)CO2	ZINC000832875397	601793220	/nfs/dbraw/zinc/79/32/20/601793220.db2.gz	WWPCYCQDCFGTTQ-XGICHPGQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\Cc3cc(F)ccc3C2=O)c[nH]1	ZINC000833298462	601793475	/nfs/dbraw/zinc/79/34/75/601793475.db2.gz	VOQZXEUBCQFHBU-XCVCLJGOSA-N	-1	0	271.247	2.674	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc3ncccc32)c[nH]1	ZINC000814804169	601797139	/nfs/dbraw/zinc/79/71/39/601797139.db2.gz	CPNRMFXFGAZSKZ-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc(OC(F)F)cc2)c[nH]1	ZINC000814828554	601797466	/nfs/dbraw/zinc/79/74/66/601797466.db2.gz	ILECQXOYXITRRK-UHFFFAOYSA-N	-1	0	295.245	2.760	20	30		CFEDRM
COc1ccc(O)c(/C=N\Cc2cccc(C(=O)[O-])c2)c1	ZINC000832425064	601845024	/nfs/dbraw/zinc/84/50/24/601845024.db2.gz	NSJVAXWKNAHRKY-YVLHZVERSA-N	-1	0	285.299	2.718	20	30		CFEDRM
COc1cc(C#N)ccc1OCc1ccc(C(=O)[O-])s1	ZINC000109600193	601848983	/nfs/dbraw/zinc/84/89/83/601848983.db2.gz	SXXGONYOEQNNIJ-UHFFFAOYSA-N	-1	0	289.312	2.906	20	30		CFEDRM
Cc1cccc(CNN=Cc2cc(C(=O)[O-])ccc2O)c1	ZINC000832967002	602181091	/nfs/dbraw/zinc/18/10/91/602181091.db2.gz	LBUIAFBNGGQQFI-UHFFFAOYSA-N	-1	0	284.315	2.523	20	30		CFEDRM
CC(C)c1csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n1	ZINC000827240774	602195541	/nfs/dbraw/zinc/19/55/41/602195541.db2.gz	NRGBWLYCLJEMMZ-RKDXNWHRSA-N	-1	0	280.349	2.554	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000825605808	602200885	/nfs/dbraw/zinc/20/08/85/602200885.db2.gz	QICOOXBXWFGGMJ-UHFFFAOYSA-N	-1	0	289.335	2.726	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000825664467	602298686	/nfs/dbraw/zinc/29/86/86/602298686.db2.gz	AKWODMJAVYIGOC-UHFFFAOYSA-N	-1	0	275.304	2.797	20	30		CFEDRM
C/C(=C/COc1ccc(Br)cc1C#N)C(=O)[O-]	ZINC000157462976	602314055	/nfs/dbraw/zinc/31/40/55/602314055.db2.gz	HFWVQLZPSRNDFO-YWEYNIOJSA-N	-1	0	296.120	2.730	20	30		CFEDRM
CCC(=CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC	ZINC000828548885	602347500	/nfs/dbraw/zinc/34/75/00/602347500.db2.gz	GJUDIUFGBWVGRS-OAHLLOKOSA-N	-1	0	287.315	2.974	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCCC1	ZINC000833064690	602394882	/nfs/dbraw/zinc/39/48/82/602394882.db2.gz	MOFISUNHFOBIQP-UHFFFAOYSA-N	-1	0	290.294	2.936	20	30		CFEDRM
C[C@@H]1CN(c2c(Cl)cccc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000826075581	603192290	/nfs/dbraw/zinc/19/22/90/603192290.db2.gz	YZEAGPOJIPPPGV-BXKDBHETSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C=CCN(C(=O)CC1(NC(=O)[O-])CCC1)c1ccccc1	ZINC000823501547	603455896	/nfs/dbraw/zinc/45/58/96/603455896.db2.gz	YUSSMEOAOXAITB-UHFFFAOYSA-N	-1	0	288.347	2.786	20	30		CFEDRM
O=C([O-])Nc1ccc(CN=Nc2ncccc2Cl)cn1	ZINC000832840947	603487879	/nfs/dbraw/zinc/48/78/79/603487879.db2.gz	NWUDLDAADQEMSB-UHFFFAOYSA-N	-1	0	291.698	2.666	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1	ZINC000823501234	603529977	/nfs/dbraw/zinc/52/99/77/603529977.db2.gz	SEVCTVXFKGGWMH-QWHCGFSZSA-N	-1	0	288.347	2.642	20	30		CFEDRM
Cc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1NC(=O)[O-]	ZINC000830234531	603585493	/nfs/dbraw/zinc/58/54/93/603585493.db2.gz	SIVWDLXCCDCFOQ-GFCCVEGCSA-N	-1	0	276.292	2.790	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(F)c1C)C(=O)[O-]	ZINC000900328766	620662180	/nfs/dbraw/zinc/66/21/80/620662180.db2.gz	VVHFTRIZQJTKIR-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823490485	603726089	/nfs/dbraw/zinc/72/60/89/603726089.db2.gz	DKLYAVAMRYWNSP-ZETCQYMHSA-N	-1	0	298.726	2.743	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000900354986	620663626	/nfs/dbraw/zinc/66/36/26/620663626.db2.gz	DUTNBHCDSWEWIW-ZDUSSCGKSA-N	-1	0	274.320	2.801	20	30		CFEDRM
C#Cc1ccc(NC(=O)N[C@@H](CC=C(C)C)C(=O)[O-])cc1	ZINC000900355219	620663912	/nfs/dbraw/zinc/66/39/12/620663912.db2.gz	IDRDYKJYNIGFBR-AWEZNQCLSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(OC)c1C)C(=O)[O-]	ZINC000900330984	620662761	/nfs/dbraw/zinc/66/27/61/620662761.db2.gz	ZFCULSVLAOVFBB-GFCCVEGCSA-N	-1	0	292.335	2.545	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N(CC)CC(=O)[O-])c1	ZINC000900356001	620664123	/nfs/dbraw/zinc/66/41/23/620664123.db2.gz	YEUDLJMDRVZHBT-UHFFFAOYSA-N	-1	0	262.309	2.658	20	30		CFEDRM
Cc1cccc(N=NCC2CCN(C(=O)[O-])CC2)c1	ZINC000830521737	603855869	/nfs/dbraw/zinc/85/58/69/603855869.db2.gz	LGFGFFIFGOJRJT-UHFFFAOYSA-N	-1	0	261.325	2.783	20	30		CFEDRM
O=C([O-])N1CCC(C=NNCCCc2ccccc2)CC1	ZINC000831869934	603861345	/nfs/dbraw/zinc/86/13/45/603861345.db2.gz	VDPBODYADISSKB-UHFFFAOYSA-N	-1	0	289.379	2.585	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1	ZINC000823496508	603869073	/nfs/dbraw/zinc/86/90/73/603869073.db2.gz	KKBYDHYPOKJGFH-KGLIPLIRSA-N	-1	0	294.395	2.724	20	30		CFEDRM
C=C(Cl)COC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823486061	604024659	/nfs/dbraw/zinc/02/46/59/604024659.db2.gz	NUUUJVFCANXXOL-CMPLNLGQSA-N	-1	0	297.738	2.927	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1	ZINC000823491198	604048304	/nfs/dbraw/zinc/04/83/04/604048304.db2.gz	RYIBYIFSNOLEGP-GFCCVEGCSA-N	-1	0	294.395	2.650	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000823758811	604089404	/nfs/dbraw/zinc/08/94/04/604089404.db2.gz	AGRQHADMSOVDPQ-LLVKDONJSA-N	-1	0	293.298	2.584	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000824543918	604136822	/nfs/dbraw/zinc/13/68/22/604136822.db2.gz	MSOUGKGFNVAETR-QMMMGPOBSA-N	-1	0	294.286	2.681	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(CNc2cccc(C#N)n2)cc1	ZINC000825403177	604347529	/nfs/dbraw/zinc/34/75/29/604347529.db2.gz	UJVQYKUGQCOSTI-NSHDSACASA-N	-1	0	296.330	2.894	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1ccc(C(=O)[O-])s1	ZINC000832849369	604453764	/nfs/dbraw/zinc/45/37/64/604453764.db2.gz	FNIHMWCSTVOQAJ-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H]2CC(=O)[O-])nc2ccccc12	ZINC000068769318	604468182	/nfs/dbraw/zinc/46/81/82/604468182.db2.gz	XMEMWKPZOXCJHG-LBPRGKRZSA-N	-1	0	281.315	2.550	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)OCC	ZINC000833366910	604541940	/nfs/dbraw/zinc/54/19/40/604541940.db2.gz	FTVAAGBJGQRPJV-CYBMUJFWSA-N	-1	0	297.395	2.652	20	30		CFEDRM
N#Cc1c(Cn2cnc3ccccc32)cccc1C(=O)[O-]	ZINC000833760702	604547308	/nfs/dbraw/zinc/54/73/08/604547308.db2.gz	ANTUQBBVJYPFSN-UHFFFAOYSA-N	-1	0	277.283	2.654	20	30		CFEDRM
C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833615584	604602206	/nfs/dbraw/zinc/60/22/06/604602206.db2.gz	OTZSFSXFYJTZTM-NSHDSACASA-N	-1	0	258.321	2.631	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OC1CCC(CC(=O)[O-])CC1)OCC	ZINC000833368442	604615029	/nfs/dbraw/zinc/61/50/29/604615029.db2.gz	JLLWZHDQXIVZEE-RUXDESIVSA-N	-1	0	298.379	2.934	20	30		CFEDRM
COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000831975557	604629659	/nfs/dbraw/zinc/62/96/59/604629659.db2.gz	FQGOZLJRPMQIJS-KRXBUXKQSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CC(=NNCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000825804748	604635740	/nfs/dbraw/zinc/63/57/40/604635740.db2.gz	VVVGCZMQUOZWJP-UHFFFAOYSA-N	-1	0	268.316	2.899	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1	ZINC000776686361	604650884	/nfs/dbraw/zinc/65/08/84/604650884.db2.gz	OGDXUVTWGNUAIE-LBPRGKRZSA-N	-1	0	299.351	2.941	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1	ZINC000776686360	604651164	/nfs/dbraw/zinc/65/11/64/604651164.db2.gz	OGDXUVTWGNUAIE-GFCCVEGCSA-N	-1	0	299.351	2.941	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N(C)C)cc1	ZINC000763367878	604667794	/nfs/dbraw/zinc/66/77/94/604667794.db2.gz	HDWNCQXMCWUYMP-UHFFFAOYSA-N	-1	0	298.346	2.682	20	30		CFEDRM
Cc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763367855	604667820	/nfs/dbraw/zinc/66/78/20/604667820.db2.gz	GTOUTABYHIJJEL-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
C#Cc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763369875	604668342	/nfs/dbraw/zinc/66/83/42/604668342.db2.gz	YODNIUJXUKTTSY-UHFFFAOYSA-N	-1	0	279.299	2.597	20	30		CFEDRM
CC1CC(C#N)(C(=O)OCc2ccc(C(=O)[O-])cc2F)C1	ZINC000833593163	604710703	/nfs/dbraw/zinc/71/07/03/604710703.db2.gz	PGDXXJYQFICRRW-UHFFFAOYSA-N	-1	0	291.278	2.507	20	30		CFEDRM
C=C[C@@H](CC(=O)O[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000833370917	604732566	/nfs/dbraw/zinc/73/25/66/604732566.db2.gz	IZPJPERRTOYRFD-WFASDCNBSA-N	-1	0	276.332	2.999	20	30		CFEDRM
N#Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000232362620	604760708	/nfs/dbraw/zinc/76/07/08/604760708.db2.gz	DTZMHHTZBQGLDS-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1ccc(/C=C(/C(=O)[O-])c2ccncc2)c(F)c1	ZINC000833072176	604772220	/nfs/dbraw/zinc/77/22/20/604772220.db2.gz	LBCINHQZAHAOGN-MDWZMJQESA-N	-1	0	268.247	2.718	20	30		CFEDRM
C=CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CC1	ZINC000313291326	604875719	/nfs/dbraw/zinc/87/57/19/604875719.db2.gz	QVGRRUMPDYBZHN-YWEYNIOJSA-N	-1	0	288.303	2.847	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](COc2ccc(C#N)cc2Cl)O1	ZINC000833577106	604887209	/nfs/dbraw/zinc/88/72/09/604887209.db2.gz	GGPVDMXGIOGSFY-SNVBAGLBSA-N	-1	0	293.706	2.738	20	30		CFEDRM
C#CCCNc1ccc(C(=O)[O-])cc1OCC(F)(F)F	ZINC000833365294	604904450	/nfs/dbraw/zinc/90/44/50/604904450.db2.gz	NTXKFBDRJKQTDX-UHFFFAOYSA-N	-1	0	287.237	2.761	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833372964	604991260	/nfs/dbraw/zinc/99/12/60/604991260.db2.gz	BWTZQYVZQAEILG-LLVKDONJSA-N	-1	0	278.304	2.662	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833373435	604991510	/nfs/dbraw/zinc/99/15/10/604991510.db2.gz	PAYFAYKJCYXGDG-LLVKDONJSA-N	-1	0	278.304	2.662	20	30		CFEDRM
C#CCCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000833361950	605004449	/nfs/dbraw/zinc/00/44/49/605004449.db2.gz	SWLKEEYPEGPZNI-UHFFFAOYSA-N	-1	0	270.288	2.781	20	30		CFEDRM
C=C(CC)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000232834014	605004555	/nfs/dbraw/zinc/00/45/55/605004555.db2.gz	IWHCWWVCIIYMNY-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
C#CCCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000234283475	605005751	/nfs/dbraw/zinc/00/57/51/605005751.db2.gz	ZAUZOLYIBMRGAU-UHFFFAOYSA-N	-1	0	273.332	2.537	20	30		CFEDRM
N#Cc1c(Cl)nsc1N1CCCC[C@H]1CC(=O)[O-]	ZINC000833761116	605006956	/nfs/dbraw/zinc/00/69/56/605006956.db2.gz	OMDJFPRHLNAFFR-ZETCQYMHSA-N	-1	0	285.756	2.502	20	30		CFEDRM
C#CCCCCC(=O)NCCc1ccc(NC(=O)[O-])cc1	ZINC000833363010	605009444	/nfs/dbraw/zinc/00/94/44/605009444.db2.gz	WMMYPRMUWYXHMB-UHFFFAOYSA-N	-1	0	288.347	2.629	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(OCCC(=O)[O-])cc1	ZINC000833362665	605009446	/nfs/dbraw/zinc/00/94/46/605009446.db2.gz	DAXHWEBLHZPZRA-UHFFFAOYSA-N	-1	0	289.331	2.672	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000234842828	605010791	/nfs/dbraw/zinc/01/07/91/605010791.db2.gz	RVSCVBLSGFLJFW-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000833362824	605013977	/nfs/dbraw/zinc/01/39/77/605013977.db2.gz	MEVWZQYFHAPRAE-CZUORRHYSA-N	-1	0	287.359	2.758	20	30		CFEDRM
C=C(CC)COC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000833371131	605015222	/nfs/dbraw/zinc/01/52/22/605015222.db2.gz	XCGNTSIAQQLYHA-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000833362786	605018661	/nfs/dbraw/zinc/01/86/61/605018661.db2.gz	KWYVFRXXTKLMKV-UHFFFAOYSA-N	-1	0	280.345	2.992	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000263283569	605081201	/nfs/dbraw/zinc/08/12/01/605081201.db2.gz	UDWWYJSNOYDVPM-HIFPTAJRSA-N	-1	0	282.384	2.674	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc([N+](=O)[O-])c1	ZINC000812442391	605098457	/nfs/dbraw/zinc/09/84/57/605098457.db2.gz	AGTLVSJGOVXCSC-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833374443	605126962	/nfs/dbraw/zinc/12/69/62/605126962.db2.gz	JRUFZANJMCDNDU-UHFFFAOYSA-N	-1	0	266.322	2.652	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833373769	605134629	/nfs/dbraw/zinc/13/46/29/605134629.db2.gz	BYWQLBTUHOPKGJ-JTQLQIEISA-N	-1	0	296.294	2.719	20	30		CFEDRM
C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(C)(C)C#N	ZINC000833536550	605161988	/nfs/dbraw/zinc/16/19/88/605161988.db2.gz	YFPJFMNMWJHMJG-VIFPVBQESA-N	-1	0	276.292	2.872	20	30		CFEDRM
C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000833536028	605215465	/nfs/dbraw/zinc/21/54/65/605215465.db2.gz	MLVCQXXDITXIRY-JTQLQIEISA-N	-1	0	296.282	2.569	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](COc2cc(Cl)ccc2C#N)O1	ZINC000833580232	605236763	/nfs/dbraw/zinc/23/67/63/605236763.db2.gz	QJCAQTOTIZWCSM-LLVKDONJSA-N	-1	0	293.706	2.738	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1	ZINC000398196151	605249965	/nfs/dbraw/zinc/24/99/65/605249965.db2.gz	CUWIZSFPQWNPPL-LBPRGKRZSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=C(C)CN(C)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000135301293	605293854	/nfs/dbraw/zinc/29/38/54/605293854.db2.gz	BXNFCPOKPZUQPQ-FNORWQNLSA-N	-1	0	276.292	2.705	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833373932	605304494	/nfs/dbraw/zinc/30/44/94/605304494.db2.gz	JYGIJWORPAFVHK-VIFPVBQESA-N	-1	0	296.298	2.835	20	30		CFEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1ccnc(F)c1	ZINC000834186341	605306981	/nfs/dbraw/zinc/30/69/81/605306981.db2.gz	SRLDERDMEQJTNT-JTQLQIEISA-N	-1	0	280.303	2.589	20	30		CFEDRM
C#CCCOc1ccc(CNc2cncc(C(=O)[O-])c2)cc1	ZINC000833364786	605325154	/nfs/dbraw/zinc/32/51/54/605325154.db2.gz	FDKAHLRVNMGADO-UHFFFAOYSA-N	-1	0	296.326	2.794	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C)cc1C(=O)[O-]	ZINC000135308024	605398932	/nfs/dbraw/zinc/39/89/32/605398932.db2.gz	YOVKTZBKLKEQAM-UHFFFAOYSA-N	-1	0	262.309	2.733	20	30		CFEDRM
C[C@@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccc(F)cc2)C1	ZINC000833551122	605419058	/nfs/dbraw/zinc/41/90/58/605419058.db2.gz	GURLRNFKXMQGMX-ZFWWWQNUSA-N	-1	0	276.311	2.577	20	30		CFEDRM
C[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833610491	605489856	/nfs/dbraw/zinc/48/98/56/605489856.db2.gz	WMDNCEWJFPQVNS-DDTOSNHZSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C#CCC(C)(C)COC(=O)c1ccc(C(=O)[O-])s1	ZINC000833360144	605521380	/nfs/dbraw/zinc/52/13/80/605521380.db2.gz	DLYXCGGXENGYSY-UHFFFAOYSA-N	-1	0	266.318	2.653	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cscn1	ZINC000767893208	605593441	/nfs/dbraw/zinc/59/34/41/605593441.db2.gz	MMDHKFSQZXISNL-UHFFFAOYSA-N	-1	0	261.306	2.677	20	30		CFEDRM
C#CCCCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000833361872	605619510	/nfs/dbraw/zinc/61/95/10/605619510.db2.gz	QGGBAWGHGNOMKR-KRWDZBQOSA-N	-1	0	299.370	2.781	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000833361801	605623352	/nfs/dbraw/zinc/62/33/52/605623352.db2.gz	MHJSZGQMYPHXSN-OAHLLOKOSA-N	-1	0	291.322	2.651	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833362097	605673413	/nfs/dbraw/zinc/67/34/13/605673413.db2.gz	ZFTBMVPXEKKVHZ-UHFFFAOYSA-N	-1	0	299.326	2.883	20	30		CFEDRM
Cc1cc(C(=O)Nc2ccncc2C#N)ccc1NC(=O)[O-]	ZINC000829970451	605680603	/nfs/dbraw/zinc/68/06/03/605680603.db2.gz	GAEMCCYNRMZGMU-UHFFFAOYSA-N	-1	0	296.286	2.604	20	30		CFEDRM
N#Cc1cccc(NCCC2CCN(C(=O)[O-])CC2)c1	ZINC000833975472	605706440	/nfs/dbraw/zinc/70/64/40/605706440.db2.gz	BUSGUJMSCPFJET-UHFFFAOYSA-N	-1	0	273.336	2.750	20	30		CFEDRM
C#CCCCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000833362078	605719737	/nfs/dbraw/zinc/71/97/37/605719737.db2.gz	YLWOMRWYQDKLHK-CQSZACIVSA-N	-1	0	293.407	2.920	20	30		CFEDRM
C[C@H](C#N)Oc1ccccc1NCc1ccoc1C(=O)[O-]	ZINC000833402473	605730105	/nfs/dbraw/zinc/73/01/05/605730105.db2.gz	NHNQMNGQWDTYAC-SNVBAGLBSA-N	-1	0	286.287	2.881	20	30		CFEDRM
N#Cc1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)[nH]1	ZINC000833975569	605848787	/nfs/dbraw/zinc/84/87/87/605848787.db2.gz	ZASREVDANSASST-UHFFFAOYSA-N	-1	0	295.258	2.693	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ccc(OC(F)F)cc1	ZINC000834171542	605860083	/nfs/dbraw/zinc/86/00/83/605860083.db2.gz	ZEJBQKWIBVQXIY-SNVBAGLBSA-N	-1	0	299.277	2.876	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1=NNCc1cnc2ccccc2c1	ZINC000834170640	605861828	/nfs/dbraw/zinc/86/18/28/605861828.db2.gz	VNGGUBOGOXSYRN-AWEZNQCLSA-N	-1	0	298.346	2.501	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1c(F)cccc1F	ZINC000834171023	605861835	/nfs/dbraw/zinc/86/18/35/605861835.db2.gz	XCXAJBSEYPJEQH-VIFPVBQESA-N	-1	0	269.251	2.553	20	30		CFEDRM
N#CC1(CN2CCCc3cc(CNC(=O)[O-])ccc32)CC1	ZINC000833964510	606002860	/nfs/dbraw/zinc/00/28/60/606002860.db2.gz	JEHHJLSCKQJTSG-UHFFFAOYSA-N	-1	0	285.347	2.511	20	30		CFEDRM
CC(=NN[C@@H](C)CC#N)c1ccc(O)cc1Cl	ZINC000905456352	621776056	/nfs/dbraw/zinc/77/60/56/621776056.db2.gz	HDVWHFCPLOSGEC-QMMMGPOBSA-N	-1	0	251.717	2.661	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C	ZINC000049501760	617607122	/nfs/dbraw/zinc/60/71/22/617607122.db2.gz	LNPDWEPHHFZKBG-UHFFFAOYSA-N	-1	0	273.379	2.976	20	30		CFEDRM
CC[C@H](CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000900974641	620735803	/nfs/dbraw/zinc/73/58/03/620735803.db2.gz	PFXFXFVAXIYEEL-MRVPVSSYSA-N	-1	0	252.701	2.734	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccco2)c(C)s1	ZINC000049501707	617607023	/nfs/dbraw/zinc/60/70/23/617607023.db2.gz	KPLUXJNKFVBGIV-UHFFFAOYSA-N	-1	0	285.346	2.651	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000049515055	617608088	/nfs/dbraw/zinc/60/80/88/617608088.db2.gz	SPPDCMSUTWZUGF-UHFFFAOYSA-N	-1	0	290.772	2.567	20	30		CFEDRM
CCCCCCCCCCC(=O)[N-]S(C)(=O)=O	ZINC000120099055	617609516	/nfs/dbraw/zinc/60/95/16/617609516.db2.gz	KJDNUMLFDFTHRJ-UHFFFAOYSA-N	-1	0	263.403	2.593	20	30		CFEDRM
Cc1c(Cl)cnc(N[C@@H]2CCC[C@@H]2C(=O)[O-])c1C#N	ZINC000900978829	620735102	/nfs/dbraw/zinc/73/51/02/620735102.db2.gz	RYDOWUALLWWLSO-GZMMTYOYSA-N	-1	0	279.727	2.580	20	30		CFEDRM
CC(C)[C@@H](CNc1c(C#N)cnn1-c1ccccc1)C(=O)[O-]	ZINC000900961480	620737756	/nfs/dbraw/zinc/73/77/56/620737756.db2.gz	FOCDKXPHPAHMRQ-CQSZACIVSA-N	-1	0	298.346	2.513	20	30		CFEDRM
C=CC[C@H]1CCN1C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000890556034	617648562	/nfs/dbraw/zinc/64/85/62/617648562.db2.gz	GCWAFDGEBXHCTO-VIFPVBQESA-N	-1	0	269.703	2.975	20	30		CFEDRM
O=C(/C=C\c1cnn2ccccc12)c1ccccc1[O-]	ZINC000254967187	617700073	/nfs/dbraw/zinc/70/00/73/617700073.db2.gz	HZRJIVZBNIEPHJ-HJWRWDBZSA-N	-1	0	264.284	2.936	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(OC)cc2[O-])cn1	ZINC000254970598	617705013	/nfs/dbraw/zinc/70/50/13/617705013.db2.gz	GQARQGPPNOVCRU-DAXSKMNVSA-N	-1	0	272.304	2.513	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1	ZINC000121556346	617737491	/nfs/dbraw/zinc/73/74/91/617737491.db2.gz	OHUIUAPCZXVCLF-JTQLQIEISA-N	-1	0	290.388	2.670	20	30		CFEDRM
Cn1cc(-c2ccc(C3CC3)c(C#N)c2)c(C(=O)[O-])n1	ZINC000901080128	620750743	/nfs/dbraw/zinc/75/07/43/620750743.db2.gz	OEGPCSDPHDQSKM-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
CCOCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000176083246	617778642	/nfs/dbraw/zinc/77/86/42/617778642.db2.gz	GIIFYUDEGLIPOW-CYBMUJFWSA-N	-1	0	298.342	2.795	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000890813999	617909018	/nfs/dbraw/zinc/90/90/18/617909018.db2.gz	RFJGRDXMDLKOCX-UHFFFAOYSA-N	-1	0	285.347	2.764	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1c([O-])cccc1F	ZINC000890812341	617910439	/nfs/dbraw/zinc/91/04/39/617910439.db2.gz	JGFFIQWQTZTMEF-UHFFFAOYSA-N	-1	0	251.301	2.960	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NO[C@@H]3CCCCO3)c2c1	ZINC000901206619	620764915	/nfs/dbraw/zinc/76/49/15/620764915.db2.gz	VWKZVOJZZLMCCJ-CQSZACIVSA-N	-1	0	288.303	2.743	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125447	617984947	/nfs/dbraw/zinc/98/49/47/617984947.db2.gz	MIRZGBNFDZDCNW-UHFFFAOYSA-N	-1	0	295.360	2.623	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](CCC)c2nnn[n-]2)CCCCC1	ZINC000934310501	617995789	/nfs/dbraw/zinc/99/57/89/617995789.db2.gz	BEDZOWRHNLNSAZ-LBPRGKRZSA-N	-1	0	291.399	2.684	20	30		CFEDRM
Cc1ccc(C=NOCCC(F)(F)F)cc1C(=O)[O-]	ZINC000901222473	620773363	/nfs/dbraw/zinc/77/33/63/620773363.db2.gz	KFJUBTYJHILBGM-UHFFFAOYSA-N	-1	0	275.226	2.996	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000049003911	618077978	/nfs/dbraw/zinc/07/79/78/618077978.db2.gz	VQKKOMLULVUXKS-LBPRGKRZSA-N	-1	0	299.392	2.764	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846550934	618113915	/nfs/dbraw/zinc/11/39/15/618113915.db2.gz	ZWELJBVEEFGOAG-HQJQHLMTSA-N	-1	0	290.146	2.649	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000846550927	618113927	/nfs/dbraw/zinc/11/39/27/618113927.db2.gz	ZWELJBVEEFGOAG-CPCISQLKSA-N	-1	0	290.146	2.649	20	30		CFEDRM
O=C([N-]S(=O)(=O)CCc1ccccc1)c1ccccc1	ZINC000034411817	618125645	/nfs/dbraw/zinc/12/56/45/618125645.db2.gz	JMQZSYJTKQBHAC-UHFFFAOYSA-N	-1	0	289.356	2.564	20	30		CFEDRM
Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000255294009	618165734	/nfs/dbraw/zinc/16/57/34/618165734.db2.gz	ROXFMSZTEUDTEV-XITLMJRVSA-N	-1	0	284.311	2.532	20	30		CFEDRM
C[C@H]1CC(NN=Cc2cc(F)c([O-])c(F)c2)C[C@H](C)O1	ZINC000901311702	620783052	/nfs/dbraw/zinc/78/30/52/620783052.db2.gz	VXLCKMFFDGGOJQ-IUCAKERBSA-N	-1	0	284.306	2.550	20	30		CFEDRM
O=C(/C=C\c1cccc2nccn21)c1ccccc1[O-]	ZINC000255326256	618197996	/nfs/dbraw/zinc/19/79/96/618197996.db2.gz	SRKFJHUWGXKSIQ-HJWRWDBZSA-N	-1	0	264.284	2.936	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000255360432	618212010	/nfs/dbraw/zinc/21/20/10/618212010.db2.gz	HMMSGHZCHIFCHC-VURMDHGXSA-N	-1	0	270.332	2.893	20	30		CFEDRM
CON=Cc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000255359303	618212113	/nfs/dbraw/zinc/21/21/13/618212113.db2.gz	MJGKJXNDPMESFE-CYBMUJFWSA-N	-1	0	299.355	2.922	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880921	618212128	/nfs/dbraw/zinc/21/21/28/618212128.db2.gz	BVEHMIYGFXPRCA-JTQLQIEISA-N	-1	0	255.339	2.834	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909423155	618247300	/nfs/dbraw/zinc/24/73/00/618247300.db2.gz	ISFWRRNMVJJSFX-RHSMWYFYSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1	ZINC000909423846	618248353	/nfs/dbraw/zinc/24/83/53/618248353.db2.gz	OPIDZGXEMMPFTD-CQSZACIVSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000909437800	618266495	/nfs/dbraw/zinc/26/64/95/618266495.db2.gz	NFDCLMPFIVGONK-OAHLLOKOSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000183059906	618277105	/nfs/dbraw/zinc/27/71/05/618277105.db2.gz	NRWRRIVNODLDPK-UHFFFAOYSA-N	-1	0	262.334	2.765	20	30		CFEDRM
CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000049302164	618292827	/nfs/dbraw/zinc/29/28/27/618292827.db2.gz	NXKKKUOLCOQYBE-LBPRGKRZSA-N	-1	0	299.392	2.783	20	30		CFEDRM
C[C@H](C#N)CN(Cc1cc(F)cc(F)c1[O-])C1CC1	ZINC000894085202	618307976	/nfs/dbraw/zinc/30/79/76/618307976.db2.gz	QCEJQYVZPDLUMA-SECBINFHSA-N	-1	0	266.291	2.794	20	30		CFEDRM
CC(N=N[C@@H]1CCCC[C@H]1O)[C@@H](C)CCCCC(=O)[O-]	ZINC000901335347	620787890	/nfs/dbraw/zinc/78/78/90/620787890.db2.gz	ZYVVSPNRFRXLJQ-IACUBPJLSA-N	-1	0	284.400	2.537	20	30		CFEDRM
C[C@@H]1CC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1	ZINC000162452206	618323515	/nfs/dbraw/zinc/32/35/15/618323515.db2.gz	BEWWJIKTTCFIMD-IOEXYTCBSA-N	-1	0	278.308	2.675	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2(c3ccccc3)CC2)c1	ZINC000179736001	618343209	/nfs/dbraw/zinc/34/32/09/618343209.db2.gz	JDRYVLKYRGBOJR-UHFFFAOYSA-N	-1	0	278.311	2.934	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc2c1CC[C@H](C)C2	ZINC000092462769	618343988	/nfs/dbraw/zinc/34/39/88/618343988.db2.gz	VNDGAUACCSXTGH-JTQLQIEISA-N	-1	0	293.388	2.586	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(F)c(Cl)c1	ZINC000092466387	618344871	/nfs/dbraw/zinc/34/48/71/618344871.db2.gz	UPHZXYZLLLZEID-UHFFFAOYSA-N	-1	0	286.690	2.584	20	30		CFEDRM
C=CC(C)(C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000909466077	618370119	/nfs/dbraw/zinc/37/01/19/618370119.db2.gz	HSSMGGLVPONKRQ-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
CCCCCCCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000147247695	618376681	/nfs/dbraw/zinc/37/66/81/618376681.db2.gz	SGEVOZJEKHPKJS-HNNXBMFYSA-N	-1	0	284.400	2.853	20	30		CFEDRM
C=C(C)CCNC(=O)NCc1cccc(Cl)c1O	ZINC000895146820	618386417	/nfs/dbraw/zinc/38/64/17/618386417.db2.gz	LKRYIJYJJKEPOM-UHFFFAOYSA-N	-1	0	268.744	2.811	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000909480360	618405902	/nfs/dbraw/zinc/40/59/02/618405902.db2.gz	BSKIKWLUDLXERQ-IUODEOHRSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909501986	618439963	/nfs/dbraw/zinc/43/99/63/618439963.db2.gz	AUCOMPIBLZDGIS-MRVPVSSYSA-N	-1	0	282.365	2.539	20	30		CFEDRM
Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000066229626	618468252	/nfs/dbraw/zinc/46/82/52/618468252.db2.gz	QULZRBATXGIOQY-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NOCC2CC2)cc1	ZINC000814243610	618469568	/nfs/dbraw/zinc/46/95/68/618469568.db2.gz	GJDPKZNKOLSKOM-UHFFFAOYSA-N	-1	0	285.246	2.503	20	30		CFEDRM
N#CCC1CN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC000895254214	618499309	/nfs/dbraw/zinc/49/93/09/618499309.db2.gz	QLIGOPKNUDIUAC-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
CC[C@H](NN=Cc1c(F)cc(C)cc1Cl)C(=O)[O-]	ZINC000841642551	618645116	/nfs/dbraw/zinc/64/51/16/618645116.db2.gz	VFTKNLYKIJNFOK-NSHDSACASA-N	-1	0	272.707	2.574	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)s1	ZINC000046708501	618851208	/nfs/dbraw/zinc/85/12/08/618851208.db2.gz	LCGIAXGBPCRMHH-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1nnc(CC)s1	ZINC000194794763	618941584	/nfs/dbraw/zinc/94/15/84/618941584.db2.gz	YGYJAIXWECTVDB-UHFFFAOYSA-N	-1	0	291.442	2.813	20	30		CFEDRM
N#Cc1cc(Nc2cc3n(n2)CCCC3)c([N+](=O)[O-])s1	ZINC000893842835	619227745	/nfs/dbraw/zinc/22/77/45/619227745.db2.gz	TUSDEOXNAJLABJ-UHFFFAOYSA-N	-1	0	289.320	2.804	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000048472858	619341898	/nfs/dbraw/zinc/34/18/98/619341898.db2.gz	GWEAAMJSWCPCRG-SECBINFHSA-N	-1	0	283.349	2.581	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)c1	ZINC000048505705	619346267	/nfs/dbraw/zinc/34/62/67/619346267.db2.gz	CBINWRWOOYVNRR-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1	ZINC000048505758	619346369	/nfs/dbraw/zinc/34/63/69/619346369.db2.gz	SLHGDZLHKFLUDU-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c1	ZINC000048518755	619348521	/nfs/dbraw/zinc/34/85/21/619348521.db2.gz	NWVAYHWTMYPSNL-UHFFFAOYSA-N	-1	0	283.349	2.581	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518932	619348877	/nfs/dbraw/zinc/34/88/77/619348877.db2.gz	GPMYOOSFOGWJSI-HTQZYQBOSA-N	-1	0	273.741	2.641	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1F)C1CC1	ZINC000048519216	619349456	/nfs/dbraw/zinc/34/94/56/619349456.db2.gz	ZZRHHXSSVLZTMB-HJWRWDBZSA-N	-1	0	283.324	2.827	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccsc1	ZINC000048519380	619349787	/nfs/dbraw/zinc/34/97/87/619349787.db2.gz	AQBWBVQDSLTEHR-UHFFFAOYSA-N	-1	0	281.358	2.583	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000048519544	619349814	/nfs/dbraw/zinc/34/98/14/619349814.db2.gz	VZRQLSYOTNNRFF-JXMROGBWSA-N	-1	0	290.344	2.560	20	30		CFEDRM
CC(C)COCCC(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519450	619349844	/nfs/dbraw/zinc/34/98/44/619349844.db2.gz	VLPGKGIOOMIDGN-UHFFFAOYSA-N	-1	0	299.392	2.536	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519421	619349953	/nfs/dbraw/zinc/34/99/53/619349953.db2.gz	UTFNTKMSWDUSMV-UHFFFAOYSA-N	-1	0	293.344	2.699	20	30		CFEDRM
C[C@H](NN=Cc1cccc(OCC(=O)[O-])c1)C(C)(C)C	ZINC000793112209	619508584	/nfs/dbraw/zinc/50/85/84/619508584.db2.gz	RHRQQMMPPSTORU-NSHDSACASA-N	-1	0	278.352	2.508	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000049135031	619535162	/nfs/dbraw/zinc/53/51/62/619535162.db2.gz	ZWYAZAVZWHCVQH-SECBINFHSA-N	-1	0	285.340	2.907	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCC1(C(=O)[O-])CCCCC1	ZINC000909524216	619563269	/nfs/dbraw/zinc/56/32/69/619563269.db2.gz	RZUZYLJFPFICGV-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C1CCC(CNc2cc(Cl)[nH]c(=O)n2)CC1	ZINC000896059917	619663373	/nfs/dbraw/zinc/66/33/73/619663373.db2.gz	DWQAOHPNKPTJGM-UHFFFAOYSA-N	-1	0	253.733	2.994	20	30		CFEDRM
N#CC[C@H](NCc1c(O)cccc1Cl)C(F)(F)F	ZINC000896710029	619795799	/nfs/dbraw/zinc/79/57/99/619795799.db2.gz	BUHDVRJAJVMRFL-JTQLQIEISA-N	-1	0	278.661	2.980	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000840706222	619854937	/nfs/dbraw/zinc/85/49/37/619854937.db2.gz	HKJIUNSIRDLBBB-QCLGMMDWSA-N	-1	0	273.292	2.802	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nn2cnc3ccccc32)c1	ZINC000001886487	619876357	/nfs/dbraw/zinc/87/63/57/619876357.db2.gz	NWCCPXKNWSXKJM-UHFFFAOYSA-N	-1	0	282.259	2.532	20	30	aggregator	CFEDRM
CCC[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840708454	619879041	/nfs/dbraw/zinc/87/90/41/619879041.db2.gz	XIMRFNFSZLLLNV-ACLQVGRQSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CC1(C)OCC[C@@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840708559	619880680	/nfs/dbraw/zinc/88/06/80/619880680.db2.gz	YCEWPKWXKIFWNP-URXIRXLPSA-N	-1	0	298.726	2.940	20	30		CFEDRM
CC(C)O[C@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000840710335	619906352	/nfs/dbraw/zinc/90/63/52/619906352.db2.gz	ISRQLKVFUDJMBE-YJFSMFMNSA-N	-1	0	278.308	2.675	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCOCC2CCCC2)c1	ZINC000840711016	619922419	/nfs/dbraw/zinc/92/24/19/619922419.db2.gz	UHGNRBQDIBPEDP-MHWRWJLKSA-N	-1	0	292.335	2.926	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccncc2)cc1	ZINC000034084451	619977169	/nfs/dbraw/zinc/97/71/69/619977169.db2.gz	YLJHKCZNKBPPIC-ZZXKWVIFSA-N	-1	0	253.257	2.676	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C(=O)[O-])c2cccs2)CC1	ZINC000909638791	620009341	/nfs/dbraw/zinc/00/93/41/620009341.db2.gz	PQMYGGLZDKLZAM-GFCCVEGCSA-N	-1	0	279.361	2.736	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-]	ZINC000262889880	620084413	/nfs/dbraw/zinc/08/44/13/620084413.db2.gz	LIWIOCYNBSVAIN-GFCCVEGCSA-N	-1	0	299.729	2.557	20	30		CFEDRM
COc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832514634	625395216	/nfs/dbraw/zinc/39/52/16/625395216.db2.gz	HPTVKSLENUGKLS-SOFGYWHQSA-N	-1	0	271.272	2.618	20	30		CFEDRM
CC(C)N(CCC#N)Cc1ccc(C(=O)[O-])s1	ZINC000109602016	620130002	/nfs/dbraw/zinc/13/00/02/620130002.db2.gz	GBNOBMXSHZODNY-UHFFFAOYSA-N	-1	0	252.339	2.570	20	30		CFEDRM
C=CCCC[C@H](NC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034146	620192211	/nfs/dbraw/zinc/19/22/11/620192211.db2.gz	MMJHDHZAGRMDAA-JQWIXIFHSA-N	-1	0	296.392	2.918	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]Oc2ccc(F)cc2)CC12CCCC2	ZINC000898576524	620479507	/nfs/dbraw/zinc/47/95/07/620479507.db2.gz	PLJFEEJCLGPTEC-OAHLLOKOSA-N	-1	0	274.295	2.710	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000899295621	620541001	/nfs/dbraw/zinc/54/10/01/620541001.db2.gz	PABLYOYFZIXMPZ-SNVBAGLBSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000899296462	620541331	/nfs/dbraw/zinc/54/13/31/620541331.db2.gz	XLRVBSCFQHDYCP-LBPRGKRZSA-N	-1	0	275.348	2.532	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])nc2)c1C	ZINC000899350349	620550418	/nfs/dbraw/zinc/55/04/18/620550418.db2.gz	CRRNWQRRQKOPSP-SOFGYWHQSA-N	-1	0	299.330	2.509	20	30		CFEDRM
CC1(C)CCC/C(=C/c2cncc(C(=O)[O-])c2)C1=O	ZINC000899363137	620550736	/nfs/dbraw/zinc/55/07/36/620550736.db2.gz	FILSMTXVPVEGQB-WDZFZDKYSA-N	-1	0	259.305	2.942	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1c([O-])cccc1F)CCC2	ZINC000899389346	620557811	/nfs/dbraw/zinc/55/78/11/620557811.db2.gz	HMFSNPCBYWDLBV-HJWRWDBZSA-N	-1	0	286.306	2.650	20	30		CFEDRM
O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000042232368	620572500	/nfs/dbraw/zinc/57/25/00/620572500.db2.gz	MFIZOVASCYZEQJ-LLVKDONJSA-N	-1	0	265.334	2.688	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CC1	ZINC000042233003	620574042	/nfs/dbraw/zinc/57/40/42/620574042.db2.gz	HKGZAGBTKYKZLE-UHFFFAOYSA-N	-1	0	275.329	2.895	20	30		CFEDRM
O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cccs1	ZINC000042243226	620580599	/nfs/dbraw/zinc/58/05/99/620580599.db2.gz	WIHFBQJFMPFEAG-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
Cc1csc(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)c1C#N	ZINC000899782651	620598670	/nfs/dbraw/zinc/59/86/70/620598670.db2.gz	ORNYTGOLEZLOEY-YGRLFVJLSA-N	-1	0	292.360	2.614	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899796647	620600901	/nfs/dbraw/zinc/60/09/01/620600901.db2.gz	NKSSRTUASXULER-HNNXBMFYSA-N	-1	0	289.375	2.978	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899795365	620600987	/nfs/dbraw/zinc/60/09/87/620600987.db2.gz	ATFWZKMYHLXVFO-LBPRGKRZSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899795092	620601033	/nfs/dbraw/zinc/60/10/33/620601033.db2.gz	SPCVAHJDEURGOB-GFCCVEGCSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899820932	620604472	/nfs/dbraw/zinc/60/44/72/620604472.db2.gz	XEAYDQMFFMQLBK-CHWSQXEVSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c(Cl)c1	ZINC000899841745	620605393	/nfs/dbraw/zinc/60/53/93/620605393.db2.gz	DPTOHABZMHMMPR-VXGBXAGGSA-N	-1	0	291.734	2.617	20	30		CFEDRM
CCn1nc(C)c(/C=C/C(=O)c2cncc(C(=O)[O-])c2)c1C	ZINC000901553281	620862533	/nfs/dbraw/zinc/86/25/33/620862533.db2.gz	WNFWRPSOGHUEBK-AATRIKPKSA-N	-1	0	299.330	2.509	20	30		CFEDRM
Cc1nn(C(C)C)cc1/C=C/C(=O)c1cncc(C(=O)[O-])c1	ZINC000901553290	620862631	/nfs/dbraw/zinc/86/26/31/620862631.db2.gz	XJPUFVLJYBPYFX-SNAWJCMRSA-N	-1	0	299.330	2.762	20	30		CFEDRM
C=CCCCCCNC(=O)c1coc(/C=C\C(=O)[O-])c1	ZINC000902021400	620960448	/nfs/dbraw/zinc/96/04/48/620960448.db2.gz	BCFKQKWBXYWXPI-FPLPWBNLSA-N	-1	0	277.320	2.854	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000902084642	620970842	/nfs/dbraw/zinc/97/08/42/620970842.db2.gz	WOMUKTYKKPFNOZ-LBPRGKRZSA-N	-1	0	282.384	2.570	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C(CC)(CC)C(=O)[O-]	ZINC000902134943	620979939	/nfs/dbraw/zinc/97/99/39/620979939.db2.gz	CDANFQZPYZMFQY-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
CC#CC[C@@H](NCc1cc2cccc(CC)c2o1)C(=O)[O-]	ZINC000904057616	621513165	/nfs/dbraw/zinc/51/31/65/621513165.db2.gz	WQBSXUNOCHGEBE-OAHLLOKOSA-N	-1	0	285.343	2.951	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904245863	621555555	/nfs/dbraw/zinc/55/55/55/621555555.db2.gz	FYUBTOMTGCRKGL-ZIAGYGMSSA-N	-1	0	285.347	2.857	20	30		CFEDRM
N#CCc1cccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904247076	621555871	/nfs/dbraw/zinc/55/58/71/621555871.db2.gz	YTROSOMGPHJFNF-UONOGXRCSA-N	-1	0	285.347	2.743	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@@]1(C#N)CC12CCCC2	ZINC000832732246	625500552	/nfs/dbraw/zinc/50/05/52/625500552.db2.gz	CGOMUULOLHZUSX-FZMZJTMJSA-N	-1	0	250.342	2.554	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000905053477	621686965	/nfs/dbraw/zinc/68/69/65/621686965.db2.gz	JDIQVRDGEAPPCS-NSHDSACASA-N	-1	0	282.365	2.988	20	30		CFEDRM
Cc1nc(C)c(/C=C2/CCc3occ(C(=O)[O-])c3C2=O)o1	ZINC000905078837	621690210	/nfs/dbraw/zinc/69/02/10/621690210.db2.gz	XEDSBJMIQYRPSY-UITAMQMPSA-N	-1	0	287.271	2.795	20	30		CFEDRM
CCC(CC)NN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905447335	621767410	/nfs/dbraw/zinc/76/74/10/621767410.db2.gz	WTYAAFVWESMYQW-UHFFFAOYSA-N	-1	0	269.732	2.545	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@@H]3CCC[C@H]3C2)nc1	ZINC000905456438	621776432	/nfs/dbraw/zinc/77/64/32/621776432.db2.gz	FJQIFNHKOCQVFS-UWVGGRQHSA-N	-1	0	259.309	2.758	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCc1cscc1C)C(=O)[O-]	ZINC000905540860	621786847	/nfs/dbraw/zinc/78/68/47/621786847.db2.gz	ZVQCKTYJYIVWRA-GFCCVEGCSA-N	-1	0	296.392	2.665	20	30		CFEDRM
C[C@@H]1Cc2c(C#N)c([N-]S(C)(=O)=O)sc2[C@@H](C)C1	ZINC000906074562	621928918	/nfs/dbraw/zinc/92/89/18/621928918.db2.gz	HXOBFAOJGWFDPP-YUMQZZPRSA-N	-1	0	284.406	2.677	20	30		CFEDRM
CS(=O)(=O)[N-]c1sc2c(c1C#N)CCCCCC2	ZINC000906075020	621928979	/nfs/dbraw/zinc/92/89/79/621928979.db2.gz	YFSRRHPQBTUUSB-UHFFFAOYSA-N	-1	0	284.406	2.650	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(CCC(=O)[O-])CC(C)C	ZINC000907572757	622137510	/nfs/dbraw/zinc/13/75/10/622137510.db2.gz	NXDGUEZEWDLOOX-LBPRGKRZSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000907576145	622137626	/nfs/dbraw/zinc/13/76/26/622137626.db2.gz	ZTDMGNDFXWCPEM-SWLSCSKDSA-N	-1	0	275.348	2.873	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000907625806	622143126	/nfs/dbraw/zinc/14/31/26/622143126.db2.gz	APBMCIHSDFGJBK-CHWSQXEVSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000907640519	622145472	/nfs/dbraw/zinc/14/54/72/622145472.db2.gz	SIZFRHCZCOYWOS-YPMHNXCESA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CCCCC1	ZINC000907674350	622149882	/nfs/dbraw/zinc/14/98/82/622149882.db2.gz	SOGOQHPPHIFOMX-CHWSQXEVSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CCCCC1	ZINC000907674356	622150104	/nfs/dbraw/zinc/15/01/04/622150104.db2.gz	SOGOQHPPHIFOMX-STQMWFEESA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CCCCC1	ZINC000907674352	622150218	/nfs/dbraw/zinc/15/02/18/622150218.db2.gz	SOGOQHPPHIFOMX-OLZOCXBDSA-N	-1	0	279.380	2.835	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000908007674	622185370	/nfs/dbraw/zinc/18/53/70/622185370.db2.gz	PWAOTVCZTMXMOW-ZIAGYGMSSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000908040431	622189954	/nfs/dbraw/zinc/18/99/54/622189954.db2.gz	ZGWOTVLGDPLUSB-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000908219837	622202470	/nfs/dbraw/zinc/20/24/70/622202470.db2.gz	MISWGTDQFFUTFV-OLZOCXBDSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908287622	622213046	/nfs/dbraw/zinc/21/30/46/622213046.db2.gz	GGVAHSMPATXJFW-GFCCVEGCSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908288551	622213222	/nfs/dbraw/zinc/21/32/22/622213222.db2.gz	NEBXODSTJDCGTP-CZUORRHYSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908292784	622215004	/nfs/dbraw/zinc/21/50/04/622215004.db2.gz	QRXXRXYPKBSPMK-GXTWGEPZSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ncc(CC)s1)C(=O)[O-]	ZINC000908663077	622256707	/nfs/dbraw/zinc/25/67/07/622256707.db2.gz	RHVIUBJLEAUIHC-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1nc(C(C)C)c(C)s1	ZINC000908664742	622257108	/nfs/dbraw/zinc/25/71/08/622257108.db2.gz	FTFMLWXMDUFSNZ-UHFFFAOYSA-N	-1	0	297.380	2.679	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000909030428	622298319	/nfs/dbraw/zinc/29/83/19/622298319.db2.gz	JNCYXDWCGLJKCD-MRXNPFEDSA-N	-1	0	290.363	2.642	20	30		CFEDRM
C#Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1	ZINC000909060839	622306140	/nfs/dbraw/zinc/30/61/40/622306140.db2.gz	VFIHWIAHLOLALD-UHFFFAOYSA-N	-1	0	285.343	2.575	20	30		CFEDRM
C=CC(C)(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909134521	622320382	/nfs/dbraw/zinc/32/03/82/622320382.db2.gz	SGVVMXKVCOGWOL-UHFFFAOYSA-N	-1	0	261.321	2.555	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCCCCCCC(=O)[O-]	ZINC000909146596	622321904	/nfs/dbraw/zinc/32/19/04/622321904.db2.gz	PIEPVJIPEZJFLD-CQSZACIVSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1	ZINC000909185335	622323596	/nfs/dbraw/zinc/32/35/96/622323596.db2.gz	AEOMXKGQMYQVAC-UHFFFAOYSA-N	-1	0	286.331	2.877	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909251088	622332396	/nfs/dbraw/zinc/33/23/96/622332396.db2.gz	VBMVTZNIOZFBLL-AWEZNQCLSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1sccc1C)C(=O)[O-]	ZINC000909711716	622344083	/nfs/dbraw/zinc/34/40/83/622344083.db2.gz	DYUGHRCGFJVKCZ-GFCCVEGCSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000909714679	622344425	/nfs/dbraw/zinc/34/44/25/622344425.db2.gz	ZHJDDWYRMBQAKM-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-]	ZINC000909713807	622344514	/nfs/dbraw/zinc/34/45/14/622344514.db2.gz	SGXINUIQWIWWIO-JUDLJHIGSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)C1	ZINC000909731270	622347319	/nfs/dbraw/zinc/34/73/19/622347319.db2.gz	MLARUTDRFAUPOM-UHFFFAOYSA-N	-1	0	275.304	2.688	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000909773796	622351250	/nfs/dbraw/zinc/35/12/50/622351250.db2.gz	KWXQMHFIPRPEKB-NWDGAFQWSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909824222	622352976	/nfs/dbraw/zinc/35/29/76/622352976.db2.gz	QTUAQPUXQBAZBQ-JSGCOSHPSA-N	-1	0	289.375	2.647	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NC[C@@H](CC)C(=O)[O-]	ZINC000909867558	622362066	/nfs/dbraw/zinc/36/20/66/622362066.db2.gz	AISIELKOCQICPQ-LLVKDONJSA-N	-1	0	293.388	2.805	20	30		CFEDRM
C#CCC1(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])CCCCC1	ZINC000909880454	622364367	/nfs/dbraw/zinc/36/43/67/622364367.db2.gz	GVXBTXJOPUYQJH-CQSZACIVSA-N	-1	0	291.391	2.577	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C(=O)[O-])C(C)C	ZINC000909933695	622373267	/nfs/dbraw/zinc/37/32/67/622373267.db2.gz	ZOZITWYZYTUDRK-FRRDWIJNSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000909947007	622375203	/nfs/dbraw/zinc/37/52/03/622375203.db2.gz	HGAYLXXNWXPRQI-AWEZNQCLSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@@H](C)CC(=O)[O-])CCCC1	ZINC000909946813	622375262	/nfs/dbraw/zinc/37/52/62/622375262.db2.gz	ZHYYBOVRHFBJGG-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000909951580	622375855	/nfs/dbraw/zinc/37/58/55/622375855.db2.gz	RULZHZPHCPASBC-NSHDSACASA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)[C@@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000910024484	622387709	/nfs/dbraw/zinc/38/77/09/622387709.db2.gz	XULODGROCNATDS-RYUDHWBXSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000910066695	622400312	/nfs/dbraw/zinc/40/03/12/622400312.db2.gz	SQIQWORRXYRQHQ-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910232715	622414695	/nfs/dbraw/zinc/41/46/95/622414695.db2.gz	FRKGUBYZZVBPMM-XJKSGUPXSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2	ZINC000910242244	622416852	/nfs/dbraw/zinc/41/68/52/622416852.db2.gz	DZFDSXZTFIKJGB-UWTIGNOOSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC(C)(C)CC)C(=O)[O-]	ZINC000910265616	622421256	/nfs/dbraw/zinc/42/12/56/622421256.db2.gz	IHPJGJATGFZFIX-VIFPVBQESA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910272131	622422714	/nfs/dbraw/zinc/42/27/14/622422714.db2.gz	SKGTYVGZECJNTI-AAEUAGOBSA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C1CCC(C)(C)CC1)C(=O)[O-]	ZINC000910291144	622430213	/nfs/dbraw/zinc/43/02/13/622430213.db2.gz	FBUISIWIESCEQU-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(NC)ccc1Cl)C(=O)[O-]	ZINC000910293737	622430690	/nfs/dbraw/zinc/43/06/90/622430690.db2.gz	LNEHFVGZMZBNPL-LBPRGKRZSA-N	-1	0	296.754	2.531	20	30		CFEDRM
C=C1CC(C)(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1	ZINC000910473568	622449706	/nfs/dbraw/zinc/44/97/06/622449706.db2.gz	NCQHOHVDIQCHKW-UONOGXRCSA-N	-1	0	285.343	2.772	20	30		CFEDRM
N#Cc1cccc(NC[C@H](C(=O)[O-])C2CCCCC2)n1	ZINC000910477305	622450463	/nfs/dbraw/zinc/45/04/63/622450463.db2.gz	BPJWAXLMEHITBV-ZDUSSCGKSA-N	-1	0	273.336	2.646	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910500184	622452618	/nfs/dbraw/zinc/45/26/18/622452618.db2.gz	LDDQLPPBTBZNGR-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910503760	622452890	/nfs/dbraw/zinc/45/28/90/622452890.db2.gz	SKDHBBOZOLFORA-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C#CCCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910701924	622469156	/nfs/dbraw/zinc/46/91/56/622469156.db2.gz	YNIAFHZRHMZUPZ-UHFFFAOYSA-N	-1	0	280.349	2.707	20	30		CFEDRM
C=C1CCC(C(=O)Nc2nc(C(=O)[O-])c(C)s2)CC1	ZINC000910780877	622477352	/nfs/dbraw/zinc/47/73/52/622477352.db2.gz	JFWJDTJIYROXMA-UHFFFAOYSA-N	-1	0	280.349	2.835	20	30		CFEDRM
C=C[C@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000910823971	622479414	/nfs/dbraw/zinc/47/94/14/622479414.db2.gz	WCIDKVZEKCIJQW-CYBMUJFWSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910909677	622485167	/nfs/dbraw/zinc/48/51/67/622485167.db2.gz	ADHWVRNDJXUXAW-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910912913	622485690	/nfs/dbraw/zinc/48/56/90/622485690.db2.gz	QGDSCFKGGMBLOB-MNOVXSKESA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-]	ZINC000910914040	622486097	/nfs/dbraw/zinc/48/60/97/622486097.db2.gz	BWKWGRFSGHJFHH-GFCCVEGCSA-N	-1	0	287.315	2.972	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1sccc1CC)C(=O)[O-]	ZINC000910914298	622486126	/nfs/dbraw/zinc/48/61/26/622486126.db2.gz	ITYGMLDTQBXPHY-NSHDSACASA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000910913850	622486207	/nfs/dbraw/zinc/48/62/07/622486207.db2.gz	DRXCCDCUEVIHGZ-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1csc(C2CC2)n1)C(=O)[O-]	ZINC000910914883	622486374	/nfs/dbraw/zinc/48/63/74/622486374.db2.gz	OXFWJVDJCHSTRN-JTQLQIEISA-N	-1	0	294.376	2.560	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1OCC)C(=O)[O-]	ZINC000910914236	622486411	/nfs/dbraw/zinc/48/64/11/622486411.db2.gz	DUVCIEYYOZMIBR-CYBMUJFWSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C1\CC[C@H](C)C1)C(=O)[O-]	ZINC000910916708	622486786	/nfs/dbraw/zinc/48/67/86/622486786.db2.gz	ILXODHYMOIIXQB-IPLAKBNRSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(F)c(C)c1)C(=O)[O-]	ZINC000910914968	622486839	/nfs/dbraw/zinc/48/68/39/622486839.db2.gz	QUSAEHWRAUOQNJ-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1ccc(C)s1)C(=O)[O-]	ZINC000910915442	622486855	/nfs/dbraw/zinc/48/68/55/622486855.db2.gz	ZPPUFOVRKRQBPQ-GFCCVEGCSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@]1(C)CC=CCC1)C(=O)[O-]	ZINC000910917147	622486874	/nfs/dbraw/zinc/48/68/74/622486874.db2.gz	MLXLJVTXIBKEFE-WFASDCNBSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H]1CCO[C@H](CCC)C1)C(=O)[O-]	ZINC000910918085	622487106	/nfs/dbraw/zinc/48/71/06/622487106.db2.gz	XJSUYYOBQMXVAA-MJBXVCDLSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000910918953	622487236	/nfs/dbraw/zinc/48/72/36/622487236.db2.gz	RDXGAJOHOAHGDS-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1sc(C)cc1C)C(=O)[O-]	ZINC000910921076	622487269	/nfs/dbraw/zinc/48/72/69/622487269.db2.gz	ADEPBKJJHTVTAK-LBPRGKRZSA-N	-1	0	295.404	2.833	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C/C1CCCC1)C(=O)[O-]	ZINC000910925687	622488073	/nfs/dbraw/zinc/48/80/73/622488073.db2.gz	NOGPULRIUPLTAL-NHAQELONSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910926268	622488216	/nfs/dbraw/zinc/48/82/16/622488216.db2.gz	LDFAUMNCZUTNHH-XJKSGUPXSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1occc1C(C)C)C(=O)[O-]	ZINC000910927231	622488931	/nfs/dbraw/zinc/48/89/31/622488931.db2.gz	YCBXFVVNARWPQP-GFCCVEGCSA-N	-1	0	279.336	2.942	20	30		CFEDRM
C#CCCCC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910972397	622493343	/nfs/dbraw/zinc/49/33/43/622493343.db2.gz	WHPGQBHFXHEYCH-UHFFFAOYSA-N	-1	0	259.305	2.541	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000819632213	622540441	/nfs/dbraw/zinc/54/04/41/622540441.db2.gz	USLFIKGRHFOCOA-WCBMZHEXSA-N	-1	0	287.344	2.539	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]1SC	ZINC000819809811	622561077	/nfs/dbraw/zinc/56/10/77/622561077.db2.gz	ZSOAMZGXEBJPRF-LBPRGKRZSA-N	-1	0	280.349	2.687	20	30		CFEDRM
Cn1nncc1/C=C/C(=O)c1ccc2ccccc2c1[O-]	ZINC000156610147	622948675	/nfs/dbraw/zinc/94/86/75/622948675.db2.gz	CVZOZXMNHAZQQX-VQHVLOKHSA-N	-1	0	279.299	2.570	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000167607089	623059202	/nfs/dbraw/zinc/05/92/02/623059202.db2.gz	VRRXDOPCWPWSTM-BFHYXJOUSA-N	-1	0	279.380	2.692	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708576	623093711	/nfs/dbraw/zinc/09/37/11/623093711.db2.gz	OFZCGKXGSZUZFU-UHFFFAOYSA-N	-1	0	255.339	2.768	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccco2)c1	ZINC000046929192	623104847	/nfs/dbraw/zinc/10/48/47/623104847.db2.gz	OKVXNSKFQXRWAN-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000046929525	623105682	/nfs/dbraw/zinc/10/56/82/623105682.db2.gz	YWPPSUBSSLFTPF-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1ccccc1F	ZINC000076765661	623141491	/nfs/dbraw/zinc/14/14/91/623141491.db2.gz	ZMJXZXOXGPTOAK-UHFFFAOYSA-N	-1	0	271.313	2.661	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C(F)F)c1	ZINC000171565979	623230660	/nfs/dbraw/zinc/23/06/60/623230660.db2.gz	URTPOQAIYWKFPK-GFCCVEGCSA-N	-1	0	292.285	2.569	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000823369027	623299844	/nfs/dbraw/zinc/29/98/44/623299844.db2.gz	OJPNQGAYBGEIEM-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000823369031	623299991	/nfs/dbraw/zinc/29/99/91/623299991.db2.gz	OJPNQGAYBGEIEM-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
CN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1(C#N)CCC1	ZINC000823439904	623319548	/nfs/dbraw/zinc/31/95/48/623319548.db2.gz	XEJOVTJCWVLWIS-UHFFFAOYSA-N	-1	0	287.344	2.635	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000834363987	625638631	/nfs/dbraw/zinc/63/86/31/625638631.db2.gz	POQCYQUMYUFFDF-JTQLQIEISA-N	-1	0	274.345	2.648	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814906085	623481955	/nfs/dbraw/zinc/48/19/55/623481955.db2.gz	FDTKMLCZZYDKMA-ZYHUDNBSSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(F)c1[O-]	ZINC000826018592	623782664	/nfs/dbraw/zinc/78/26/64/623782664.db2.gz	GCSNABRNPJYASF-PHIMTYICSA-N	-1	0	279.286	2.994	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC23CCSCC3)c1	ZINC000826603927	623822215	/nfs/dbraw/zinc/82/22/15/623822215.db2.gz	KHSZNLWEFLEPDL-NSHDSACASA-N	-1	0	288.372	2.736	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c1	ZINC000826603097	623822701	/nfs/dbraw/zinc/82/27/01/623822701.db2.gz	CWNFFOFZVKUKED-SDDRHHMPSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CC[C@@H](C)NN=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814913275	623915926	/nfs/dbraw/zinc/91/59/26/623915926.db2.gz	KKFZQUHDWQTNCP-JLLWLGSASA-N	-1	0	254.374	2.887	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000827649032	624052015	/nfs/dbraw/zinc/05/20/15/624052015.db2.gz	GUAXEDNRHIGCAP-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1Cl	ZINC000837043930	624080840	/nfs/dbraw/zinc/08/08/40/624080840.db2.gz	IAIKDZZQPKMWHI-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
Cc1cc(C)nc(N=NC(C)c2ccc(CC(=O)[O-])cc2)n1	ZINC000915932105	624190765	/nfs/dbraw/zinc/19/07/65/624190765.db2.gz	KVFHSDCWESGCPN-UHFFFAOYSA-N	-1	0	298.346	2.557	20	30		CFEDRM
N#CCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000915955951	624192138	/nfs/dbraw/zinc/19/21/38/624192138.db2.gz	MFXRYCCHIAXYTB-UHFFFAOYSA-N	-1	0	295.298	2.733	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NNc2ccccc2)cc1	ZINC000915933424	624193732	/nfs/dbraw/zinc/19/37/32/624193732.db2.gz	WNVDJRGYBBGQTA-UHFFFAOYSA-N	-1	0	284.315	2.986	20	30		CFEDRM
CCCOc1cccc(C=NNc2nc(C)cc(=O)[nH]2)c1	ZINC000917528896	624354989	/nfs/dbraw/zinc/35/49/89/624354989.db2.gz	IBKNUUASLQBPKL-UHFFFAOYSA-N	-1	0	286.335	2.725	20	30		CFEDRM
Cc1cc(C=NNc2cccc(C(=O)[O-])c2)c(C)[nH]1	ZINC000917565577	624357296	/nfs/dbraw/zinc/35/72/96/624357296.db2.gz	OCDIDWRRQUYNAQ-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
c1nc2nc[n-]c(NN=C3CCCc4ccccc43)c-2n1	ZINC000917554636	624358811	/nfs/dbraw/zinc/35/88/11/624358811.db2.gz	CGFYQNBEXVVEFJ-UHFFFAOYSA-N	-1	0	278.319	2.505	20	30		CFEDRM
COc1ccc(CNN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000917549437	624358818	/nfs/dbraw/zinc/35/88/18/624358818.db2.gz	ZEAFVGOSCAZHPP-UHFFFAOYSA-N	-1	0	284.315	2.517	20	30		CFEDRM
C[C@H](NN=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000920385675	624716840	/nfs/dbraw/zinc/71/68/40/624716840.db2.gz	FWBDDZVUWINCPB-NSHDSACASA-N	-1	0	285.303	2.985	20	30		CFEDRM
C[C@H](NN=Cc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000920385876	624717083	/nfs/dbraw/zinc/71/70/83/624717083.db2.gz	JHVKYHKFNWOHPI-NSHDSACASA-N	-1	0	285.303	2.985	20	30		CFEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000920944751	624786815	/nfs/dbraw/zinc/78/68/15/624786815.db2.gz	JHOWOPJYJZHWBF-MQHRVFIMSA-N	-1	0	271.276	2.876	20	30		CFEDRM
CCCCCC(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000921247641	624829348	/nfs/dbraw/zinc/82/93/48/624829348.db2.gz	JOQRVYZEFGQQIB-LLVKDONJSA-N	-1	0	294.376	2.751	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175095854	624926137	/nfs/dbraw/zinc/92/61/37/624926137.db2.gz	PYLHHALRQFGXSG-CYBMUJFWSA-N	-1	0	290.363	2.915	20	30		CFEDRM
Cc1cscc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000175101622	624926321	/nfs/dbraw/zinc/92/63/21/624926321.db2.gz	CCARSJSRIREGAK-ZDUSSCGKSA-N	-1	0	298.367	2.695	20	30		CFEDRM
Cc1cscc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000175419394	624951887	/nfs/dbraw/zinc/95/18/87/624951887.db2.gz	FEGQVPOGCFYASC-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])o1	ZINC000175419419	624952156	/nfs/dbraw/zinc/95/21/56/624952156.db2.gz	SMLMJTJKONYOKW-UHFFFAOYSA-N	-1	0	256.261	2.726	20	30		CFEDRM
CO[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])C1CCCCC1	ZINC000831272356	624981048	/nfs/dbraw/zinc/98/10/48/624981048.db2.gz	VMCNXLDHTWIVIQ-OAHLLOKOSA-N	-1	0	288.347	2.798	20	30		CFEDRM
Cc1c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cnn1C	ZINC000179861431	624982121	/nfs/dbraw/zinc/98/21/21/624982121.db2.gz	JDGNGUUCXIFIEI-ONEGZZNKSA-N	-1	0	278.258	2.608	20	30		CFEDRM
CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000070035134	625258082	/nfs/dbraw/zinc/25/80/82/625258082.db2.gz	GASSWSWISFSPBG-GFCCVEGCSA-N	-1	0	290.429	2.746	20	30		CFEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccncc1	ZINC000182240301	625272040	/nfs/dbraw/zinc/27/20/40/625272040.db2.gz	NWUAIPZZZSHRLU-OWOJBTEDSA-N	-1	0	261.227	2.962	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000073086776	625772005	/nfs/dbraw/zinc/77/20/05/625772005.db2.gz	JSDRHGGQEZKCAX-MRVPVSSYSA-N	-1	0	261.368	2.685	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccccc1C(C)C)C(=O)[O-]	ZINC000851605419	634453754	/nfs/dbraw/zinc/45/37/54/634453754.db2.gz	JGMVSIUJJPPNHU-AWEZNQCLSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1	ZINC000851616477	634457918	/nfs/dbraw/zinc/45/79/18/634457918.db2.gz	PDKCNGACAYYHCV-AWEZNQCLSA-N	-1	0	299.370	2.579	20	30		CFEDRM
Cn1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)n1	ZINC000768754128	625903020	/nfs/dbraw/zinc/90/30/20/625903020.db2.gz	CEUVUPUWSOLJEX-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])cc1)OC	ZINC000834911545	625919921	/nfs/dbraw/zinc/91/99/21/625919921.db2.gz	CCGLCGBXYUJJDK-GFCCVEGCSA-N	-1	0	250.298	2.598	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H](CCC(C)C)C2)[n-]c1=O	ZINC000834926233	625924976	/nfs/dbraw/zinc/92/49/76/625924976.db2.gz	XXZUHJQKTPWQKM-LLVKDONJSA-N	-1	0	277.372	2.890	20	30		CFEDRM
CC[C@@](C)(CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834934145	625926667	/nfs/dbraw/zinc/92/66/67/625926667.db2.gz	BWMWNKVILXFZIA-ZDUSSCGKSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CC[C@H](NN=Cc1ccccc1OCC(C)C)C(=O)[O-]	ZINC000834981461	625944571	/nfs/dbraw/zinc/94/45/71/625944571.db2.gz	PSETUHBEEQSLES-ZDUSSCGKSA-N	-1	0	278.352	2.508	20	30		CFEDRM
CC[C@@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008205	625955148	/nfs/dbraw/zinc/95/51/48/625955148.db2.gz	HCBXAWKPELWBSY-RNCFNFMXSA-N	-1	0	282.315	2.983	20	30		CFEDRM
CC(C)OC1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009557	625956134	/nfs/dbraw/zinc/95/61/34/625956134.db2.gz	VJDNNFQKWRIJFE-UHFFFAOYSA-N	-1	0	280.299	2.879	20	30		CFEDRM
C[C@@]12C[C@@H]1CCCC2N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010216	625957157	/nfs/dbraw/zinc/95/71/57/625957157.db2.gz	UAFCYQHBSLUUQC-LKFCYVNXSA-N	-1	0	259.309	2.758	20	30		CFEDRM
COCC(N=Nc1ccc(C(=O)[O-])c(F)c1)C(C)C	ZINC000835010301	625957244	/nfs/dbraw/zinc/95/72/44/625957244.db2.gz	WOOZNELAOIQJGE-UHFFFAOYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCCOC1	ZINC000835011095	625957940	/nfs/dbraw/zinc/95/79/40/625957940.db2.gz	BDNWSAPYFLPMIU-NSHDSACASA-N	-1	0	280.299	2.738	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCSC2)c(F)c1	ZINC000835011427	625957989	/nfs/dbraw/zinc/95/79/89/625957989.db2.gz	FNSDNTGMUHNOLH-QMMMGPOBSA-N	-1	0	268.313	2.675	20	30		CFEDRM
C[C@H](CCC#N)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011947	625958597	/nfs/dbraw/zinc/95/85/97/625958597.db2.gz	LBYWWDMJLUMKNS-SECBINFHSA-N	-1	0	263.272	2.861	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012498	625958709	/nfs/dbraw/zinc/95/87/09/625958709.db2.gz	QUJBQEDUVWTVFI-UHFFFAOYSA-N	-1	0	282.315	2.984	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1cccc(OC)c1	ZINC000084695293	626020814	/nfs/dbraw/zinc/02/08/14/626020814.db2.gz	TUVJUFGRJIILEJ-NSHDSACASA-N	-1	0	299.392	2.885	20	30		CFEDRM
CCOc1ccccc1C(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000073837731	626396492	/nfs/dbraw/zinc/39/64/92/626396492.db2.gz	LQEPZLQXSMOZNP-UHFFFAOYSA-N	-1	0	299.392	2.908	20	30		CFEDRM
N#Cc1c[nH]c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1	ZINC000163639053	626407696	/nfs/dbraw/zinc/40/76/96/626407696.db2.gz	IUHUEZACHGMTHX-UHFFFAOYSA-N	-1	0	284.300	2.569	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC2(CC2)C1	ZINC000923065141	626448673	/nfs/dbraw/zinc/44/86/73/626448673.db2.gz	WXSHPCWKIRDDMK-UHFFFAOYSA-N	-1	0	298.342	2.726	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000923084017	626449606	/nfs/dbraw/zinc/44/96/06/626449606.db2.gz	VOERYICZFMKKLR-ZUZCIYMTSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-])OCC	ZINC000923190308	626455925	/nfs/dbraw/zinc/45/59/25/626455925.db2.gz	NHBGTGKVZAXLON-CJNGLKHVSA-N	-1	0	299.411	2.611	20	30		CFEDRM
CC/C(C)=C/C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000838042346	626484502	/nfs/dbraw/zinc/48/45/02/626484502.db2.gz	WPCWKWODINVXEJ-NKLKJHRZSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1nn(C)cc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000121329696	626489568	/nfs/dbraw/zinc/48/95/68/626489568.db2.gz	VKZLZMRAZCQDBL-HWKANZROSA-N	-1	0	276.723	2.984	20	30		CFEDRM
O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccccc1[O-]	ZINC000757475230	626553160	/nfs/dbraw/zinc/55/31/60/626553160.db2.gz	QROUIKADSDHBGC-YFHOEESVSA-N	-1	0	291.310	2.869	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H](C(C)C)[C@@H](C)C2)[n-]c1=O	ZINC000758095766	626576242	/nfs/dbraw/zinc/57/62/42/626576242.db2.gz	KZCJNPCZICLPDJ-CABZTGNLSA-N	-1	0	277.372	2.746	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(C)CCOCC1	ZINC000758129831	626578253	/nfs/dbraw/zinc/57/82/53/626578253.db2.gz	REGRSKLVICEKDG-UHFFFAOYSA-N	-1	0	292.335	2.608	20	30		CFEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])C2=CCCC2)n1	ZINC000761111503	626806276	/nfs/dbraw/zinc/80/62/76/626806276.db2.gz	PSJDXWNSHRITTA-JTQLQIEISA-N	-1	0	290.344	2.606	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C\c1cc(C)c(C)cc1C	ZINC000762065819	626886040	/nfs/dbraw/zinc/88/60/40/626886040.db2.gz	DGECKQBOPXIEEP-SREVYHEPSA-N	-1	0	287.359	2.724	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)nc1	ZINC000805261478	626954419	/nfs/dbraw/zinc/95/44/19/626954419.db2.gz	BKTNQVCBYKHYBC-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(Cl)cc2)nc1	ZINC000763368465	626982868	/nfs/dbraw/zinc/98/28/68/626982868.db2.gz	OMDLUGIFHUCGCL-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cc3ccccc3o2)nc1	ZINC000763370155	626983779	/nfs/dbraw/zinc/98/37/79/626983779.db2.gz	LQVHGUIKPNUZJS-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3ccccc32)nc1	ZINC000763372342	626984159	/nfs/dbraw/zinc/98/41/59/626984159.db2.gz	WONAGQSTJDPPMZ-UHFFFAOYSA-N	-1	0	281.315	2.932	20	30		CFEDRM
COc1ccsc1C=NNc1cccc(C(=O)[O-])c1	ZINC000764648241	627079903	/nfs/dbraw/zinc/07/99/03/627079903.db2.gz	GADXDWRDTHBVFS-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
[O-]c1c(F)cc(C=NOCC(F)(F)F)cc1F	ZINC000764845313	627101174	/nfs/dbraw/zinc/10/11/74/627101174.db2.gz	SUEDULOBBKEJFK-UHFFFAOYSA-N	-1	0	255.142	2.583	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NNc3cccc(F)c3)[nH]nc2c1	ZINC000765572932	627147834	/nfs/dbraw/zinc/14/78/34/627147834.db2.gz	VDXSWZJXKXAKOE-UHFFFAOYSA-N	-1	0	298.277	2.846	20	30		CFEDRM
O=C([O-])c1csc(/C=C2/Cc3c(cccc3O)C2=O)c1	ZINC000765825078	627159872	/nfs/dbraw/zinc/15/98/72/627159872.db2.gz	NGYLGZGUEWQQEJ-YWEYNIOJSA-N	-1	0	286.308	2.974	20	30		CFEDRM
Cc1cccc2c1[C@@H](C)CC2=NNc1nnc(C)c(=O)[n-]1	ZINC000766687996	627214772	/nfs/dbraw/zinc/21/47/72/627214772.db2.gz	HOYBRZCZNYGMQC-VIFPVBQESA-N	-1	0	283.335	2.517	20	30		CFEDRM
C[C@@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1	ZINC000767876978	627290852	/nfs/dbraw/zinc/29/08/52/627290852.db2.gz	BEWWJIKTTCFIMD-NFAPAGGUSA-N	-1	0	278.308	2.675	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21	ZINC000767957646	627298215	/nfs/dbraw/zinc/29/82/15/627298215.db2.gz	DBLRTQQWFSKYDY-LBPRGKRZSA-N	-1	0	284.340	2.526	20	30		CFEDRM
C=C(Cl)CNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000769108840	627403601	/nfs/dbraw/zinc/40/36/01/627403601.db2.gz	KVFGSYFRDCPPMG-UHFFFAOYSA-N	-1	0	264.083	2.667	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cn1	ZINC000769247310	627415668	/nfs/dbraw/zinc/41/56/68/627415668.db2.gz	HJTOXBHGYGTRCP-UHFFFAOYSA-N	-1	0	295.323	2.745	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@H]2c2ccccc2)n1	ZINC000769766799	627473159	/nfs/dbraw/zinc/47/31/59/627473159.db2.gz	QVXOGAPPADQPKZ-LBPRGKRZSA-N	-1	0	268.320	2.836	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])c(O)c1C	ZINC000770129614	627503915	/nfs/dbraw/zinc/50/39/15/627503915.db2.gz	UGPVALJVANPDCO-UHFFFAOYSA-N	-1	0	282.299	2.839	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000770570833	627530561	/nfs/dbraw/zinc/53/05/61/627530561.db2.gz	KMFKRILCGAFWBO-SNAWJCMRSA-N	-1	0	290.344	2.638	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NNCC(C)C)CCC2	ZINC000771566014	627614840	/nfs/dbraw/zinc/61/48/40/627614840.db2.gz	CKUPKBWXRXUAJE-UHFFFAOYSA-N	-1	0	264.325	2.572	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C#N)cc1	ZINC000773080592	627780368	/nfs/dbraw/zinc/78/03/68/627780368.db2.gz	VADREBZIFDJHDA-UHFFFAOYSA-N	-1	0	294.314	2.878	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC000774289459	627912672	/nfs/dbraw/zinc/91/26/72/627912672.db2.gz	BQCZOGDISJHGEL-GFCCVEGCSA-N	-1	0	294.399	2.577	20	30		CFEDRM
CC(=NOC1CCOCC1)c1cc(F)cc(F)c1[O-]	ZINC000774443527	627927123	/nfs/dbraw/zinc/92/71/23/627927123.db2.gz	AFGZNGDCUCPKBE-UHFFFAOYSA-N	-1	0	271.263	2.590	20	30		CFEDRM
CCC(=NOC1CCOCC1)c1ccc(C(=O)[O-])cc1	ZINC000774444854	627927683	/nfs/dbraw/zinc/92/76/83/627927683.db2.gz	QEXGSILZTKPMHD-UHFFFAOYSA-N	-1	0	277.320	2.695	20	30		CFEDRM
CC(C)[C@H](O)C1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000775631771	628047824	/nfs/dbraw/zinc/04/78/24/628047824.db2.gz	VPWJATFYXDRKAT-BRSWLGOBSA-N	-1	0	292.335	2.516	20	30		CFEDRM
CCN(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775647880	628049303	/nfs/dbraw/zinc/04/93/03/628049303.db2.gz	GFMGTOOBZYFTBG-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
COCCN(CCC#N)Cc1cc(Cl)cc(F)c1[O-]	ZINC000775677854	628053740	/nfs/dbraw/zinc/05/37/40/628053740.db2.gz	UHZKXGHLHKGPCE-UHFFFAOYSA-N	-1	0	286.734	2.547	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1cccc(Cl)c1[O-]	ZINC000775686239	628055965	/nfs/dbraw/zinc/05/59/65/628055965.db2.gz	FTRZAVIOQRINRT-UHFFFAOYSA-N	-1	0	266.728	2.810	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000776195176	628115181	/nfs/dbraw/zinc/11/51/81/628115181.db2.gz	PRHNFWGDLCQJQV-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc(F)c2)ccc1O	ZINC000777432352	628224727	/nfs/dbraw/zinc/22/47/27/628224727.db2.gz	AKBRXSQZFFXSLB-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1cc(Cl)ccn1	ZINC000777914035	628264474	/nfs/dbraw/zinc/26/44/74/628264474.db2.gz	VIBUFGUBBONYKS-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H](F)Cc2ccccc2)c1	ZINC000778400059	628304487	/nfs/dbraw/zinc/30/44/87/628304487.db2.gz	SXIQVPHPRZJVSY-ZDUSSCGKSA-N	-1	0	284.290	2.783	20	30		CFEDRM
CC(C)OCCNN=Cc1cc(Cl)cc(F)c1[O-]	ZINC000778546448	628314065	/nfs/dbraw/zinc/31/40/65/628314065.db2.gz	ISNKNOOASZNAMH-UHFFFAOYSA-N	-1	0	274.723	2.533	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]OCC(F)F)c1ccccc1	ZINC000779094251	628352152	/nfs/dbraw/zinc/35/21/52/628352152.db2.gz	BFMWNWLZBLRDEU-NSHDSACASA-N	-1	0	255.264	2.659	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCCC(F)(F)F	ZINC000779326858	628374759	/nfs/dbraw/zinc/37/47/59/628374759.db2.gz	YIUAMTZHADEVNW-SNVBAGLBSA-N	-1	0	298.305	2.958	20	30		CFEDRM
N#Cc1ccc(C2(C(=O)[N-]OC3CCCCC3)CC2)cc1	ZINC000781039965	628514523	/nfs/dbraw/zinc/51/45/23/628514523.db2.gz	DJTPZCPXGOWKBA-UHFFFAOYSA-N	-1	0	284.359	2.970	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@](C)(CC)CCCCC	ZINC000781527244	628557365	/nfs/dbraw/zinc/55/73/65/628557365.db2.gz	SDGMALSVEODESA-CYBMUJFWSA-N	-1	0	275.414	2.615	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000782303702	628626599	/nfs/dbraw/zinc/62/65/99/628626599.db2.gz	YMVBUEHZKJYDMH-ZDUSSCGKSA-N	-1	0	277.324	2.803	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1cccc(F)c1	ZINC000783515092	628715221	/nfs/dbraw/zinc/71/52/21/628715221.db2.gz	ZFUXBPUZLGIXEW-UHFFFAOYSA-N	-1	0	284.298	2.718	20	30		CFEDRM
CC[C@@H](C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000784895571	628849738	/nfs/dbraw/zinc/84/97/38/628849738.db2.gz	CDNRNPJDNXBNKT-OLZOCXBDSA-N	-1	0	289.379	2.918	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cc(C)ns1	ZINC000785457220	628884820	/nfs/dbraw/zinc/88/48/20/628884820.db2.gz	GENLCQZVACOWMK-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1cccs1	ZINC000787079118	628991990	/nfs/dbraw/zinc/99/19/90/628991990.db2.gz	PPLWDMIQNPFBRR-CYBMUJFWSA-N	-1	0	298.367	2.729	20	30		CFEDRM
N#CC(=C([O-])c1nc(Cl)cs1)c1ccccn1	ZINC000789403866	629153915	/nfs/dbraw/zinc/15/39/15/629153915.db2.gz	SHCCSRNWLDNUMJ-ZETCQYMHSA-N	-1	0	263.709	2.682	20	30		CFEDRM
Cc1cccnc1NN=Cc1cc(F)c([O-])c(F)c1	ZINC000790192929	629218787	/nfs/dbraw/zinc/21/87/87/629218787.db2.gz	KIUIQFREIRKUTN-UHFFFAOYSA-N	-1	0	263.247	2.820	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2CCC2)cc1	ZINC000791770948	629354309	/nfs/dbraw/zinc/35/43/09/629354309.db2.gz	GVDFPRTZPOFWJD-OAHLLOKOSA-N	-1	0	282.343	2.579	20	30		CFEDRM
Cc1nc2cc(C(=O)Nc3cc(C#N)ccc3[O-])ccc2o1	ZINC000792277142	629416095	/nfs/dbraw/zinc/41/60/95/629416095.db2.gz	NSIWUIPFSHNAQR-UHFFFAOYSA-N	-1	0	293.282	2.966	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2ccccc2C)C1)C(=O)[O-]	ZINC000793054567	629480759	/nfs/dbraw/zinc/48/07/59/629480759.db2.gz	GVQBXPSMADJWMX-SBXXRYSUSA-N	-1	0	260.337	2.681	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc2cc(OC)ccc2c1)C(=O)[O-]	ZINC000793057558	629481712	/nfs/dbraw/zinc/48/17/12/629481712.db2.gz	OGDRWCJYHPNVMK-OAHLLOKOSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H](C)c2c1cccc2C)C(=O)[O-]	ZINC000793072588	629482811	/nfs/dbraw/zinc/48/28/11/629482811.db2.gz	NXWHSAKDBDXQAC-CMPLNLGQSA-N	-1	0	260.337	2.659	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@H](C(C)C)[C@H](C)C1)C(=O)[O-]	ZINC000793072848	629482862	/nfs/dbraw/zinc/48/28/62/629482862.db2.gz	WQWMTTVZWNHVFO-WXHSDQCUSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@@H](NN=Cc1csc(-c2ccsc2)n1)C(=O)[O-]	ZINC000793073312	629483843	/nfs/dbraw/zinc/48/38/43/629483843.db2.gz	SBOYAGDQDLLTAM-SNVBAGLBSA-N	-1	0	295.389	2.658	20	30		CFEDRM
CC[C@@H](NN=C1CCCOc2c(C)cc(C)cc21)C(=O)[O-]	ZINC000793081479	629485279	/nfs/dbraw/zinc/48/52/79/629485279.db2.gz	LDCRCKFVHOLWEP-CYBMUJFWSA-N	-1	0	290.363	2.633	20	30		CFEDRM
C[C@@H](NN=Cc1ccccc1OCC(=O)[O-])C(C)(C)C	ZINC000793115721	629489223	/nfs/dbraw/zinc/48/92/23/629489223.db2.gz	SZZNESDBBCLKEI-LLVKDONJSA-N	-1	0	278.352	2.508	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/C1COCCOC1	ZINC000793655026	629582645	/nfs/dbraw/zinc/58/26/45/629582645.db2.gz	NYDZSGOYAGRKGH-PJQLUOCWSA-N	-1	0	290.146	2.533	20	30		CFEDRM
C=CCC1(C(=O)OCc2n[n-]c(C)cc2=O)CCCC1	ZINC000835310087	629615312	/nfs/dbraw/zinc/61/53/12/629615312.db2.gz	AFLQDIFTZIJOCJ-UHFFFAOYSA-N	-1	0	276.336	2.670	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3ccc(O)cc32)nc1	ZINC000794524953	629654468	/nfs/dbraw/zinc/65/44/68/629654468.db2.gz	XIQMZRMNQXECMS-UHFFFAOYSA-N	-1	0	297.314	2.638	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C1(CC)CC1	ZINC000835532673	629815679	/nfs/dbraw/zinc/81/56/79/629815679.db2.gz	YUXMVOBIOORRBF-UHFFFAOYSA-N	-1	0	275.414	2.736	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000796913040	629988880	/nfs/dbraw/zinc/98/88/80/629988880.db2.gz	RSNPHBDQHXKELQ-GFCCVEGCSA-N	-1	0	295.404	2.796	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1ncc(C)o1	ZINC000799639024	630327636	/nfs/dbraw/zinc/32/76/36/630327636.db2.gz	BDPNAZUANIZFPH-UHFFFAOYSA-N	-1	0	260.359	2.695	20	30		CFEDRM
COCC[C@@H]1CCCC1N=Nc1ccccc1C(=O)[O-]	ZINC000799873120	630350354	/nfs/dbraw/zinc/35/03/54/630350354.db2.gz	LSKMYGZIXGQDMQ-NSHDSACASA-N	-1	0	276.336	2.989	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC[C@@H]2CCCF)n1	ZINC000800804046	630405834	/nfs/dbraw/zinc/40/58/34/630405834.db2.gz	QPXLJHCDXSXZBF-SNVBAGLBSA-N	-1	0	266.320	2.808	20	30		CFEDRM
Cc1[nH]c(C=NNCCCc2ccccc2)cc1C(=O)[O-]	ZINC000800813159	630407606	/nfs/dbraw/zinc/40/76/06/630407606.db2.gz	RDTNBNDYIYMHBR-UHFFFAOYSA-N	-1	0	285.347	2.578	20	30		CFEDRM
N#C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCCC1	ZINC000802224370	630513930	/nfs/dbraw/zinc/51/39/30/630513930.db2.gz	VVSHTRNCVBZANF-LLVKDONJSA-N	-1	0	277.280	2.552	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C/c2cccnc2)c1	ZINC000806559608	630812120	/nfs/dbraw/zinc/81/21/20/630812120.db2.gz	CMEVXRPFYJENFW-VOTSOKGWSA-N	-1	0	253.257	2.676	20	30		CFEDRM
CCn1nccc1/C=C1\C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806561322	630812253	/nfs/dbraw/zinc/81/22/53/630812253.db2.gz	UHHPFORGLZTMGE-SLZMIMFISA-N	-1	0	296.326	2.741	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C\c2cncs2)C(=O)c2ccccc21	ZINC000806561070	630812361	/nfs/dbraw/zinc/81/23/61/630812361.db2.gz	REVJTOLAYUEOMG-NEXMIYJRSA-N	-1	0	285.324	2.981	20	30		CFEDRM
CC(C)n1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])nn1	ZINC000806572967	630814533	/nfs/dbraw/zinc/81/45/33/630814533.db2.gz	COGJKIQIFGIPKD-ONEGZZNKSA-N	-1	0	293.273	2.739	20	30		CFEDRM
C#CCC(CC#C)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000807776334	630910444	/nfs/dbraw/zinc/91/04/44/630910444.db2.gz	XLTMDNGGZMGPER-UHFFFAOYSA-N	-1	0	279.698	2.786	20	30		CFEDRM
C=CCC[C@@H](C(=O)[N-]O[C@@H](CO)C(C)C)c1ccccc1	ZINC000836894572	630910994	/nfs/dbraw/zinc/91/09/94/630910994.db2.gz	FLMWVJHSCFNEAN-CVEARBPZSA-N	-1	0	291.391	2.801	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)[C@@H]1SC	ZINC000807943456	630924319	/nfs/dbraw/zinc/92/43/19/630924319.db2.gz	GSMOBKKOMUVNGI-STQMWFEESA-N	-1	0	294.376	2.693	20	30		CFEDRM
C=CCO[N-]C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000837042457	630942946	/nfs/dbraw/zinc/94/29/46/630942946.db2.gz	BEUWEYWNCYGEBU-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=CCO[N-]C(=O)COc1ccccc1[C@@H](C)CC	ZINC000837042710	630943536	/nfs/dbraw/zinc/94/35/36/630943536.db2.gz	DIOSLBQBQQWRHS-LBPRGKRZSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1	ZINC000837046206	630944023	/nfs/dbraw/zinc/94/40/23/630944023.db2.gz	GRKCYYWXUNAXOV-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](Oc1cccc(Cl)c1)C(C)C	ZINC000837047770	630945622	/nfs/dbraw/zinc/94/56/22/630945622.db2.gz	LKCZOCWEWBLKEK-ZDUSSCGKSA-N	-1	0	283.755	2.977	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)C#CC(C)(C)C)c1	ZINC000837514672	631052252	/nfs/dbraw/zinc/05/22/52/631052252.db2.gz	NIRZLZGEHYIJNU-UHFFFAOYSA-N	-1	0	259.305	2.583	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc(O)c2)ccc1O	ZINC000809152275	631089696	/nfs/dbraw/zinc/08/96/96/631089696.db2.gz	CYTGAEULEAGQBI-XQRVVYSFSA-N	-1	0	284.267	2.692	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3c[nH]nc32)n1	ZINC000041516454	649991639	/nfs/dbraw/zinc/99/16/39/649991639.db2.gz	QJBZUVCYFTZIOE-LLVKDONJSA-N	-1	0	282.328	2.818	20	30		CFEDRM
COCC1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000840707480	631175346	/nfs/dbraw/zinc/17/53/46/631175346.db2.gz	VHNPYLSKTBRUIZ-MHWRWJLKSA-N	-1	0	292.335	2.926	20	30		CFEDRM
C#Cc1cccc(CNC(=O)CC(CC)(CC)C(=O)[O-])c1	ZINC000840732485	631177247	/nfs/dbraw/zinc/17/72/47/631177247.db2.gz	YNDOPIMATQIHFQ-UHFFFAOYSA-N	-1	0	287.359	2.565	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250370	649997327	/nfs/dbraw/zinc/99/73/27/649997327.db2.gz	NTXZDGQQROUVJT-VMPITWQZSA-N	-1	0	295.291	2.777	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000042304132	649997442	/nfs/dbraw/zinc/99/74/42/649997442.db2.gz	LZKRJKFRJJQHNU-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H](C)C2)CC1	ZINC000810988857	631491177	/nfs/dbraw/zinc/49/11/77/631491177.db2.gz	YZGWUTOQUCAFFL-OLZOCXBDSA-N	-1	0	299.436	2.758	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)c2ccccc12	ZINC000842288846	631580248	/nfs/dbraw/zinc/58/02/48/631580248.db2.gz	LBUFVMWXHIRAJT-INIZCTEOSA-N	-1	0	292.338	2.749	20	30		CFEDRM
C[C@@H](COc1ccccc1)NN=Cc1ccccc1C(=O)[O-]	ZINC000811666424	631602078	/nfs/dbraw/zinc/60/20/78/631602078.db2.gz	CTLOLFOXPRRLFS-ZDUSSCGKSA-N	-1	0	298.342	2.776	20	30		CFEDRM
N#Cc1csc(C=CC(=O)c2sccc2[O-])n1	ZINC000811693458	631607132	/nfs/dbraw/zinc/60/71/32/631607132.db2.gz	JDUHTBGHZINFJB-UPHRSURJSA-N	-1	0	262.315	2.678	20	30		CFEDRM
CCN(CCO)N=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000842535088	631655509	/nfs/dbraw/zinc/65/55/09/631655509.db2.gz	JUUMRZIUDJZBSF-UHFFFAOYSA-N	-1	0	291.178	2.737	20	30		CFEDRM
CCCON=C(C)CCc1ccc(OCC(=O)[O-])cc1	ZINC000842550905	631663831	/nfs/dbraw/zinc/66/38/31/631663831.db2.gz	LZNYMSILQNGFOR-UHFFFAOYSA-N	-1	0	279.336	2.885	20	30		CFEDRM
CC(=NOCCOC(C)C)c1cccc(C(=O)[O-])c1	ZINC000812237524	631675872	/nfs/dbraw/zinc/67/58/72/631675872.db2.gz	FBFUOVTVHHOHMG-UHFFFAOYSA-N	-1	0	265.309	2.550	20	30		CFEDRM
CN(C)c1ccc(C=[NH+][N-]c2ccccc2C(=O)[O-])s1	ZINC000812444264	631719304	/nfs/dbraw/zinc/71/93/04/631719304.db2.gz	BKNCXQOFDROOES-UHFFFAOYSA-N	-1	0	289.360	2.958	20	30		CFEDRM
CSCc1cccnc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000813500700	631927193	/nfs/dbraw/zinc/92/71/93/631927193.db2.gz	JHVDHBFSWBWGBZ-UHFFFAOYSA-N	-1	0	299.355	2.774	20	30		CFEDRM
CC(=NOCC1CC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000814241445	632042617	/nfs/dbraw/zinc/04/26/17/632042617.db2.gz	KUULTEFPOQMWGQ-UHFFFAOYSA-N	-1	0	262.309	2.547	20	30		CFEDRM
O=C([O-])Cn1cc(C=NOCCC2CC2)c2ccccc21	ZINC000814246429	632045656	/nfs/dbraw/zinc/04/56/56/632045656.db2.gz	MKJJVUSKGHORCF-UHFFFAOYSA-N	-1	0	286.331	2.877	20	30		CFEDRM
CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1cc(N)ccc1F	ZINC000814680627	632106865	/nfs/dbraw/zinc/10/68/65/632106865.db2.gz	ALOLZQXTMRGPQE-UHFFFAOYSA-N	-1	0	287.294	2.942	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccccc2[N+](=O)[O-])CC[C@H]1CC(=O)[O-]	ZINC000814685615	632109187	/nfs/dbraw/zinc/10/91/87/632109187.db2.gz	LETXYEJCHYEMHC-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccc(F)cc2)c1	ZINC000814693264	632109557	/nfs/dbraw/zinc/10/95/57/632109557.db2.gz	GBXBAPZPXZMADK-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
C=CCNC(=S)NN=Cc1ccc2ccccc2c1O	ZINC000814715230	632112614	/nfs/dbraw/zinc/11/26/14/632112614.db2.gz	MEHDLXGTALHYPM-UHFFFAOYSA-N	-1	0	285.372	2.529	20	30		CFEDRM
CO[C@@](C)(CN=Nc1ccccc1C(=O)[O-])C1CC1	ZINC000814768449	632120891	/nfs/dbraw/zinc/12/08/91/632120891.db2.gz	BYIPEEAVWKDBTQ-AWEZNQCLSA-N	-1	0	262.309	2.598	20	30		CFEDRM
CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1cc(N)ccc1F	ZINC000814768633	632121082	/nfs/dbraw/zinc/12/10/82/632121082.db2.gz	GHPLAPXILMODNT-UHFFFAOYSA-N	-1	0	287.294	2.942	20	30		CFEDRM
COc1cccc(N=NC2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814777544	632121711	/nfs/dbraw/zinc/12/17/11/632121711.db2.gz	TUTATFQIMTWSRB-QWRGUYRKSA-N	-1	0	276.336	2.984	20	30		CFEDRM
C[C@@H]1C(=NNCc2cccc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814804738	632127853	/nfs/dbraw/zinc/12/78/53/632127853.db2.gz	CXBQJRRDNJXHCP-CMPLNLGQSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@H]1CC(=NNCc2cccc(F)c2)CC[C@H]1C(=O)[O-]	ZINC000814804832	632128282	/nfs/dbraw/zinc/12/82/82/632128282.db2.gz	HHLFZRCSTWWXBI-IINYFYTJSA-N	-1	0	278.327	2.792	20	30		CFEDRM
Cc1cc(N=NC(C)CC2(C(=O)[O-])CCC2)nc(C)n1	ZINC000814807407	632128830	/nfs/dbraw/zinc/12/88/30/632128830.db2.gz	TWLXSLPIBGHMTJ-UHFFFAOYSA-N	-1	0	276.340	2.526	20	30		CFEDRM
Cc1ccc(N=NC(C)CC2(C(=O)[O-])CCC2)nc1	ZINC000814831473	632133678	/nfs/dbraw/zinc/13/36/78/632133678.db2.gz	CYAFQVJBRGJAOM-UHFFFAOYSA-N	-1	0	261.325	2.823	20	30		CFEDRM
C[C@@H]1C(=NNCc2ccc(F)cc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814829633	632133688	/nfs/dbraw/zinc/13/36/88/632133688.db2.gz	CSCDREKXUTVFHJ-VHSXEESVSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C=CCCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000844210101	632135008	/nfs/dbraw/zinc/13/50/08/632135008.db2.gz	OECMTHOYKAKGTN-UHFFFAOYSA-N	-1	0	278.308	2.624	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](C(=O)[O-])C[C@@H]2C)n1	ZINC000814855015	632139412	/nfs/dbraw/zinc/13/94/12/632139412.db2.gz	DBMBNMXSSZNOQB-CBAPKCEASA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1ccnc(N=NC2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1	ZINC000814868240	632141991	/nfs/dbraw/zinc/14/19/91/632141991.db2.gz	YBWXUCKLLDCEBK-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=c1[n-]c(N=NC2CC[C@@H]2C2CC2)nc2ccccc21	ZINC000814869094	632143430	/nfs/dbraw/zinc/14/34/30/632143430.db2.gz	ROSTUZLLEVICFG-SNVBAGLBSA-N	-1	0	268.320	2.923	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCCc1ccccc1F	ZINC000814875816	632146054	/nfs/dbraw/zinc/14/60/54/632146054.db2.gz	XSVHAQWYGCHSMY-AAEUAGOBSA-N	-1	0	292.354	2.835	20	30		CFEDRM
CC(=NNCc1ccc(C#N)cc1)c1csc(C(=O)[O-])c1	ZINC000814882584	632147390	/nfs/dbraw/zinc/14/73/90/632147390.db2.gz	LTUIUBMMXKXAMI-UHFFFAOYSA-N	-1	0	299.355	2.832	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ccc(C(F)(F)F)cc2)C1	ZINC000814882453	632147606	/nfs/dbraw/zinc/14/76/06/632147606.db2.gz	PESGMFKKJXHWRT-UHFFFAOYSA-N	-1	0	272.226	2.968	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOCc1cccnc1)CC2	ZINC000814884495	632148274	/nfs/dbraw/zinc/14/82/74/632148274.db2.gz	YZHDBYYEAAYEDQ-UHFFFAOYSA-N	-1	0	296.326	2.841	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1csc(C(=O)[O-])c1	ZINC000814887138	632149385	/nfs/dbraw/zinc/14/93/85/632149385.db2.gz	JFRRWHCJTHZOLW-LLVKDONJSA-N	-1	0	269.322	2.714	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1	ZINC000814887500	632150317	/nfs/dbraw/zinc/15/03/17/632150317.db2.gz	JSNZMVWLWCSPTI-AAEUAGOBSA-N	-1	0	260.337	2.653	20	30		CFEDRM
Cc1cc2ccccc2nc1N=NC1CC(C(=O)[O-])C1	ZINC000814896306	632153496	/nfs/dbraw/zinc/15/34/96/632153496.db2.gz	SFQLWGOYIUSANL-UHFFFAOYSA-N	-1	0	269.304	2.806	20	30		CFEDRM
C[C@H]1CC(=NNCCC(C)(C)C)CC[C@H]1C(=O)[O-]	ZINC000814901205	632155998	/nfs/dbraw/zinc/15/59/98/632155998.db2.gz	CVEIBZRLNZBNLP-CMPLNLGQSA-N	-1	0	254.374	2.889	20	30		CFEDRM
COc1nccnc1N=NC(C)CCCCCCC(=O)[O-]	ZINC000814905713	632158487	/nfs/dbraw/zinc/15/84/87/632158487.db2.gz	PNKHGJINCWPVKI-UHFFFAOYSA-N	-1	0	294.355	2.698	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814911314	632160673	/nfs/dbraw/zinc/16/06/73/632160673.db2.gz	ATDPJLSHIOPADA-ZYHUDNBSSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NOCCC(F)(F)F	ZINC000814910552	632160785	/nfs/dbraw/zinc/16/07/85/632160785.db2.gz	WTAINGRKRIBCCI-SFYZADRCSA-N	-1	0	267.247	2.832	20	30		CFEDRM
C[C@@H]1C(=NOC[C@@H]2CCOC2)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814912471	632161514	/nfs/dbraw/zinc/16/15/14/632161514.db2.gz	UEZFTENASZOJLL-UTUOFQBUSA-N	-1	0	283.368	2.552	20	30		CFEDRM
Cc1cccnc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814911969	632161621	/nfs/dbraw/zinc/16/16/21/632161621.db2.gz	XUASDMRSEAGAFA-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CC[C@H](C)NN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814913745	632162400	/nfs/dbraw/zinc/16/24/00/632162400.db2.gz	UHJSRJBCNYYDFP-JTQLQIEISA-N	-1	0	260.337	2.618	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](CC(=O)[O-])[C@@H]1C	ZINC000814916175	632163360	/nfs/dbraw/zinc/16/33/60/632163360.db2.gz	CGBODNZUNGFDJU-QWRGUYRKSA-N	-1	0	290.367	2.889	20	30		CFEDRM
C=CCNN=C(C)CCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000814927956	632169327	/nfs/dbraw/zinc/16/93/27/632169327.db2.gz	OVAKHGRQNZJNTE-ZDUSSCGKSA-N	-1	0	290.363	2.623	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2nccnc2C2CCC2)CC1	ZINC000814932034	632170225	/nfs/dbraw/zinc/17/02/25/632170225.db2.gz	LFKWCYMHODBIJL-UHFFFAOYSA-N	-1	0	288.351	2.787	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@@H]1CCSC1	ZINC000814933225	632170858	/nfs/dbraw/zinc/17/08/58/632170858.db2.gz	IHHFXSOWDYOPOQ-GFCCVEGCSA-N	-1	0	272.414	2.883	20	30		CFEDRM
C[C@H]1C(=NNCC2CCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814933472	632171999	/nfs/dbraw/zinc/17/19/99/632171999.db2.gz	PCWHRRYQEQBARY-PWSUYJOCSA-N	-1	0	252.358	2.643	20	30		CFEDRM
C[C@H](COc1ccccc1)NN=Cc1cccc(C(=O)[O-])c1	ZINC000814935920	632173672	/nfs/dbraw/zinc/17/36/72/632173672.db2.gz	SVEKLJNQEQBVPU-CYBMUJFWSA-N	-1	0	298.342	2.776	20	30		CFEDRM
CC1(CNN=Cc2cccc(C(=O)[O-])c2)CCCC1	ZINC000814938124	632174321	/nfs/dbraw/zinc/17/43/21/632174321.db2.gz	WJXOLCVLAAXNSL-UHFFFAOYSA-N	-1	0	260.337	2.889	20	30		CFEDRM
CC(N=Nc1ncncc1F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814939865	632175307	/nfs/dbraw/zinc/17/53/07/632175307.db2.gz	GUHHCIYUXMGZER-VIFPVBQESA-N	-1	0	282.319	2.685	20	30		CFEDRM
CC(C)Sc1cccc(Cl)c1C=NNCC(=O)[O-]	ZINC000814958615	632179579	/nfs/dbraw/zinc/17/95/79/632179579.db2.gz	GHMYNZRCTYUGQV-UHFFFAOYSA-N	-1	0	286.784	2.849	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc2c(c1)Cc1ccccc1-2	ZINC000814958624	632179703	/nfs/dbraw/zinc/17/97/03/632179703.db2.gz	HDUFRQZFHCCGHB-UHFFFAOYSA-N	-1	0	280.327	2.656	20	30		CFEDRM
Cc1ccc(-c2cccc(C=NNCC(=O)[O-])c2)cc1	ZINC000814959192	632179859	/nfs/dbraw/zinc/17/98/59/632179859.db2.gz	SKDOAUXACMPZJB-UHFFFAOYSA-N	-1	0	268.316	2.670	20	30		CFEDRM
C=C(C)CON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000844618375	632263957	/nfs/dbraw/zinc/26/39/57/632263957.db2.gz	RYSBZOPJRORQDM-CYBMUJFWSA-N	-1	0	259.305	2.945	20	30		CFEDRM
C=C(C)CON=C1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000844618376	632264139	/nfs/dbraw/zinc/26/41/39/632264139.db2.gz	RYSBZOPJRORQDM-ZDUSSCGKSA-N	-1	0	259.305	2.945	20	30		CFEDRM
Cc1c(N=NC2COCC2(C)C)cccc1C(=O)[O-]	ZINC000844623284	632266931	/nfs/dbraw/zinc/26/69/31/632266931.db2.gz	LHUAKYFLRHISHY-UHFFFAOYSA-N	-1	0	262.309	2.518	20	30		CFEDRM
C=C[C@H](C)ON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000844626523	632268897	/nfs/dbraw/zinc/26/88/97/632268897.db2.gz	WWROAZPLRHFTEC-QMMMGPOBSA-N	-1	0	262.309	2.712	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C	ZINC000816111910	632374647	/nfs/dbraw/zinc/37/46/47/632374647.db2.gz	JNQAZKRSZIXAAQ-HNNXBMFYSA-N	-1	0	295.404	2.796	20	30		CFEDRM
CC[C@H](C#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000845821155	632575063	/nfs/dbraw/zinc/57/50/63/632575063.db2.gz	MULWUESMRJCYML-SSDOTTSWSA-N	-1	0	261.306	2.605	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCCC1CC1	ZINC000817413500	632625650	/nfs/dbraw/zinc/62/56/50/632625650.db2.gz	UOUTVKFNJUJXTJ-ZDUSSCGKSA-N	-1	0	270.373	2.806	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C)cc1	ZINC000846151761	632647706	/nfs/dbraw/zinc/64/77/06/632647706.db2.gz	GOFJFAGGKRVESW-LLVKDONJSA-N	-1	0	290.363	2.545	20	30		CFEDRM
C=CCN(CCO[C@H](CC)c1ccccc1)CC(=O)[O-]	ZINC000846262725	632677224	/nfs/dbraw/zinc/67/72/24/632677224.db2.gz	JNMQBZHGVHSRFJ-OAHLLOKOSA-N	-1	0	277.364	2.727	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(Cl)c2)CC(=O)C1	ZINC000846533305	632723077	/nfs/dbraw/zinc/72/30/77/632723077.db2.gz	GOJHITSJRNPNHK-UHFFFAOYSA-N	-1	0	293.750	2.565	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@H]1CCCC[C@H]1CC	ZINC000846535490	632724205	/nfs/dbraw/zinc/72/42/05/632724205.db2.gz	BMCWGWCPINIHCP-OLZOCXBDSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000846534385	632724405	/nfs/dbraw/zinc/72/44/05/632724405.db2.gz	ZIEFVHHBZJZJHN-UHFFFAOYSA-N	-1	0	276.311	2.599	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)[C@@H]1OCCc2sccc21	ZINC000846534304	632724701	/nfs/dbraw/zinc/72/47/01/632724701.db2.gz	OYQUKJVAZRKRGJ-MFKMUULPSA-N	-1	0	281.377	2.622	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Oc1ccccc1F	ZINC000846537242	632726147	/nfs/dbraw/zinc/72/61/47/632726147.db2.gz	JBARTACFPMPFDB-LBPRGKRZSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1SCCc2sccc21	ZINC000846537890	632727220	/nfs/dbraw/zinc/72/72/20/632727220.db2.gz	PZOGWDBVFCFRAZ-NSHDSACASA-N	-1	0	269.391	2.702	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@@H](C)C1	ZINC000846538005	632727480	/nfs/dbraw/zinc/72/74/80/632727480.db2.gz	RGQQXCKPAOTDHC-MCIONIFRSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cc(Cl)ccc1Cl	ZINC000846538774	632727528	/nfs/dbraw/zinc/72/75/28/632727528.db2.gz	YQQSOXMVMTYVTK-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1c(C)cc(C)cc1C	ZINC000846541735	632731004	/nfs/dbraw/zinc/73/10/04/632731004.db2.gz	LWXDTCFEBSRTEA-CYBMUJFWSA-N	-1	0	263.337	2.613	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000846543234	632732226	/nfs/dbraw/zinc/73/22/26/632732226.db2.gz	MRMRKLGHVYZKMG-ONGXEEELSA-N	-1	0	281.739	2.513	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1	ZINC000846544646	632733100	/nfs/dbraw/zinc/73/31/00/632733100.db2.gz	XUXMKTYQJFFOPZ-NXEZZACHSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(F)(F)c1ccccc1OCC	ZINC000846550456	632738831	/nfs/dbraw/zinc/73/88/31/632738831.db2.gz	XASJARFHXOUCOW-SNVBAGLBSA-N	-1	0	285.290	2.799	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1ccc(OC)cc1	ZINC000846551677	632739589	/nfs/dbraw/zinc/73/95/89/632739589.db2.gz	XTOYZZCEQOURKS-MNOVXSKESA-N	-1	0	281.377	2.798	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1CC(C)(C)Oc2ccccc21	ZINC000846554293	632740709	/nfs/dbraw/zinc/74/07/09/632740709.db2.gz	JVCXFMIUWLIQMV-YPMHNXCESA-N	-1	0	275.348	2.954	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000846555662	632741864	/nfs/dbraw/zinc/74/18/64/632741864.db2.gz	UJNHKBXGXIRABM-UWVGGRQHSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=CCC1(C(=O)NCCCCCCC(=O)[O-])CCOCC1	ZINC000818294159	632824419	/nfs/dbraw/zinc/82/44/19/632824419.db2.gz	VGHKWDNFKDMWJJ-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](CCCC)C(C)C	ZINC000856924896	635885131	/nfs/dbraw/zinc/88/51/31/635885131.db2.gz	IIHWGHWLUZWWDC-LBPRGKRZSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=C[C@H](C)ONC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000848244745	633223043	/nfs/dbraw/zinc/22/30/43/633223043.db2.gz	CXZRIAGFKKKMBP-ZETCQYMHSA-N	-1	0	275.226	2.647	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CC[C@H]2C2CC2)cc1	ZINC000848414806	633253111	/nfs/dbraw/zinc/25/31/11/633253111.db2.gz	RVSKOEGNBIZLHL-ZDUSSCGKSA-N	-1	0	258.321	2.902	20	30		CFEDRM
COCC(N=Nc1ccc(CC(=O)[O-])cc1)C1CCCC1	ZINC000848414049	633253313	/nfs/dbraw/zinc/25/33/13/633253313.db2.gz	IFZNDBRBUVOACG-UHFFFAOYSA-N	-1	0	290.363	2.918	20	30		CFEDRM
CC(=NNc1ccc(CC(=O)[O-])cc1)c1cnc(C)nc1C	ZINC000848415860	633253507	/nfs/dbraw/zinc/25/35/07/633253507.db2.gz	QZDSEXCTRDQFOJ-UHFFFAOYSA-N	-1	0	298.346	2.557	20	30		CFEDRM
C[C@@H](CCC#N)CN=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414383	633253525	/nfs/dbraw/zinc/25/35/25/633253525.db2.gz	NWQCGGIEOPDOEO-NSHDSACASA-N	-1	0	259.309	2.651	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](Cc1ccncc1)C(=O)[O-]	ZINC000848457428	633261826	/nfs/dbraw/zinc/26/18/26/633261826.db2.gz	GXXMZYHHYPBRTF-CQSZACIVSA-N	-1	0	292.379	2.554	20	30		CFEDRM
O=C(/C=C\c1cc2n(n1)CCCC2)c1cc(F)ccc1[O-]	ZINC000848640261	633306744	/nfs/dbraw/zinc/30/67/44/633306744.db2.gz	KRZZKNOCKOPKEX-ALCCZGGFSA-N	-1	0	286.306	2.960	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(O)cc1	ZINC000849240138	633587844	/nfs/dbraw/zinc/58/78/44/633587844.db2.gz	GPYHBOBRKRMSTG-CMDGGOBGSA-N	-1	0	268.316	2.899	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2cc3n(n2)CCC3)c([O-])c1	ZINC000849245773	633589114	/nfs/dbraw/zinc/58/91/14/633589114.db2.gz	CDDDLSWDOIDLJA-FNORWQNLSA-N	-1	0	268.316	2.739	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C2CC2)cc1	ZINC000850753406	634079222	/nfs/dbraw/zinc/07/92/22/634079222.db2.gz	ZIBWWPZJTMCRAM-HNNXBMFYSA-N	-1	0	282.343	2.509	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CF)cc1	ZINC000850754432	634080751	/nfs/dbraw/zinc/08/07/51/634080751.db2.gz	ULUJGFIXZXSLLT-AWEZNQCLSA-N	-1	0	290.338	2.785	20	30		CFEDRM
CC1(C)OCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000852998919	634871761	/nfs/dbraw/zinc/87/17/61/634871761.db2.gz	UEYIHMRGWCHOHS-OXFWXOROSA-N	-1	0	278.308	2.534	20	30		CFEDRM
CC(CC(C)(C)C#N)=NNc1cnnc([O-])c1Cl	ZINC000853284330	634958230	/nfs/dbraw/zinc/95/82/30/634958230.db2.gz	YHXHNYKVEIDULB-UHFFFAOYSA-N	-1	0	267.720	2.563	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)cn1	ZINC000853354302	634981378	/nfs/dbraw/zinc/98/13/78/634981378.db2.gz	DDGVEHRVCQHZKN-OUAUKWLOSA-N	-1	0	259.309	2.614	20	30		CFEDRM
CC(C)n1ccnc1C=NNc1ccc(CC(=O)[O-])cc1	ZINC000853370235	634984927	/nfs/dbraw/zinc/98/49/27/634984927.db2.gz	HLNITSQOCUTXNB-UHFFFAOYSA-N	-1	0	286.335	2.537	20	30		CFEDRM
CC[C@@H]1COCC1N=Nc1cccc(C(=O)[O-])c1C	ZINC000853370175	634985217	/nfs/dbraw/zinc/98/52/17/634985217.db2.gz	FTDOXOJIALPZTG-SNVBAGLBSA-N	-1	0	262.309	2.518	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCCSCC2)cc1	ZINC000853370802	634985354	/nfs/dbraw/zinc/98/53/54/634985354.db2.gz	WYFGFRUYYCRBGE-UHFFFAOYSA-N	-1	0	278.377	2.999	20	30		CFEDRM
C[C@@H]1CC(=NN2CCCC[C@H]2C)CC[C@@H]1C(=O)[O-]	ZINC000853382045	634988857	/nfs/dbraw/zinc/98/88/57/634988857.db2.gz	REQKIXYALZUGHE-WZRBSPASSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H]1C(=NN2CCCC[C@H]2C)CC[C@H]1CC(=O)[O-]	ZINC000853382229	634989207	/nfs/dbraw/zinc/98/92/07/634989207.db2.gz	VXIYNFZKHBTQOT-WOPDTQHZSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000853381531	634989221	/nfs/dbraw/zinc/98/92/21/634989221.db2.gz	FEAJYDVAUACIDB-CYBMUJFWSA-N	-1	0	299.374	2.934	20	30		CFEDRM
O=C(/C=C/c1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000111922736	635217527	/nfs/dbraw/zinc/21/75/27/635217527.db2.gz	YNSAXWPAZMOGIE-XVNBXDOJSA-N	-1	0	285.255	2.902	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855026868	635445392	/nfs/dbraw/zinc/44/53/92/635445392.db2.gz	RJQLCNQXQKIDIW-NSHDSACASA-N	-1	0	285.384	2.614	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2cccc(C)c2)CCCCC1	ZINC000855603940	635595951	/nfs/dbraw/zinc/59/59/51/635595951.db2.gz	VRTFNGNNODZSHR-UHFFFAOYSA-N	-1	0	271.360	2.878	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1	ZINC000855604074	635596467	/nfs/dbraw/zinc/59/64/67/635596467.db2.gz	YHNJOHPZSSSGIL-UHFFFAOYSA-N	-1	0	277.751	2.833	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccc(OCC)cc1	ZINC000856028925	635704325	/nfs/dbraw/zinc/70/43/25/635704325.db2.gz	RRZYPXJPMMCEFV-UHFFFAOYSA-N	-1	0	281.377	2.801	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccc(F)cc1	ZINC000856028798	635704585	/nfs/dbraw/zinc/70/45/85/635704585.db2.gz	PZSCHHAEMCVBLU-UHFFFAOYSA-N	-1	0	255.314	2.542	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(-c2cccs2)oc1C	ZINC000856030262	635705728	/nfs/dbraw/zinc/70/57/28/635705728.db2.gz	UZOHGKJBCBTERU-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
COCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCCC1	ZINC000857143935	635935594	/nfs/dbraw/zinc/93/55/94/635935594.db2.gz	CHQQDTMWCQTIOE-UHFFFAOYSA-N	-1	0	288.347	2.799	20	30		CFEDRM
O=c1[n-]c(N=NC[C@H]2CCCOCC2)nc2ccccc21	ZINC000857208748	635947022	/nfs/dbraw/zinc/94/70/22/635947022.db2.gz	GZJSMJBJSHSOJZ-NSHDSACASA-N	-1	0	286.335	2.550	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@H]2CCCOCC2)cc1	ZINC000857210866	635947702	/nfs/dbraw/zinc/94/77/02/635947702.db2.gz	GCAOWLMAHADHHP-ZDUSSCGKSA-N	-1	0	276.336	2.528	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)o1	ZINC000048494635	650268488	/nfs/dbraw/zinc/26/84/88/650268488.db2.gz	UZVLABMJMCBBTG-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C[C@@H](Sc1ccccc1Cl)C(=O)[N-]S(C)(=O)=O	ZINC000048487406	650268795	/nfs/dbraw/zinc/26/87/95/650268795.db2.gz	CYMAVTHRJDGPHQ-SSDOTTSWSA-N	-1	0	293.797	2.737	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048578760	650271771	/nfs/dbraw/zinc/27/17/71/650271771.db2.gz	ZMUUGHXBVIUWLQ-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccn(C3CCCC3)n2)c1	ZINC000159864632	650282064	/nfs/dbraw/zinc/28/20/64/650282064.db2.gz	UAHQQRKHZYWNPA-UHFFFAOYSA-N	-1	0	296.330	2.828	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)c(Cl)c1	ZINC000194592235	636793083	/nfs/dbraw/zinc/79/30/83/636793083.db2.gz	HJMVOMVNOLMNKK-QMMMGPOBSA-N	-1	0	279.073	2.939	20	30		CFEDRM
CCS(=O)(=O)[N-]c1sc2c(c1C#N)CCCCC2	ZINC000081569491	636794007	/nfs/dbraw/zinc/79/40/07/636794007.db2.gz	VWKBEFDRAGHZMM-UHFFFAOYSA-N	-1	0	284.406	2.650	20	30		CFEDRM
O=C(C=Cc1cnn2ccccc12)c1sccc1[O-]	ZINC000188056348	650313450	/nfs/dbraw/zinc/31/34/50/650313450.db2.gz	DKOZTQRDIXKEAA-SNAWJCMRSA-N	-1	0	270.313	2.998	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(C#N)cc2)CCCC1	ZINC000862132492	637278859	/nfs/dbraw/zinc/27/88/59/637278859.db2.gz	GUXLFXIYKKMTGQ-ZDUSSCGKSA-N	-1	0	284.359	2.992	20	30		CFEDRM
COCCCC1(CN=Nc2ccc(C(=O)[O-])cn2)CCC1	ZINC000863105869	637556940	/nfs/dbraw/zinc/55/69/40/637556940.db2.gz	DDNNOWAYYJYJEI-UHFFFAOYSA-N	-1	0	291.351	2.774	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCCCO1	ZINC000863118498	637563527	/nfs/dbraw/zinc/56/35/27/637563527.db2.gz	ZFTBKLIWUBREJY-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCCCO1	ZINC000863125990	637566365	/nfs/dbraw/zinc/56/63/65/637566365.db2.gz	CSRQLFUYWMUWOR-AWEZNQCLSA-N	-1	0	276.336	2.671	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccc(C(F)F)cc1	ZINC000864136152	637889968	/nfs/dbraw/zinc/88/99/68/637889968.db2.gz	SRVRTNZNEVHDKZ-UHFFFAOYSA-N	-1	0	297.301	2.656	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC1=CCCCC1)C(=O)[O-]	ZINC000864183533	637906662	/nfs/dbraw/zinc/90/66/62/637906662.db2.gz	GTMDBCBTJJHINH-NSHDSACASA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)SCCCC)C(=O)[O-]	ZINC000864185108	637907626	/nfs/dbraw/zinc/90/76/26/637907626.db2.gz	SWAZBXSGCAHJFE-VHSXEESVSA-N	-1	0	293.816	2.620	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)c1ccccc1)C(=O)[O-]	ZINC000864187256	637908195	/nfs/dbraw/zinc/90/81/95/637908195.db2.gz	HQIWBBZWYAUWSS-GAJOTYCWSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C(C)=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000864186944	637908594	/nfs/dbraw/zinc/90/85/94/637908594.db2.gz	AGWQLBKJIOGDFU-MARXPDLDSA-N	-1	0	291.322	2.765	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@H]2CCSC2)c1	ZINC000864347454	637947762	/nfs/dbraw/zinc/94/77/62/637947762.db2.gz	QWCHPEGOWFQIRT-WULZRQGASA-N	-1	0	280.349	2.863	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2C[C@H]2C2CCOCC2)c1	ZINC000864349447	637949918	/nfs/dbraw/zinc/94/99/18/637949918.db2.gz	YBTWTVACEWXREO-BHJNDZAMSA-N	-1	0	290.319	2.534	20	30		CFEDRM
N#Cc1cccc([C@H]([N-]C(=O)C(F)(F)F)C(F)(F)F)c1	ZINC000864494478	638002970	/nfs/dbraw/zinc/00/29/70/638002970.db2.gz	IJBFSUUDIKLXKD-QMMMGPOBSA-N	-1	0	296.170	2.840	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@@H](CC(=C)Cl)C(=O)[O-]	ZINC000864527572	638012749	/nfs/dbraw/zinc/01/27/49/638012749.db2.gz	DPDVEWHOGXIVBD-NSHDSACASA-N	-1	0	288.775	2.628	20	30		CFEDRM
C=C(C)C[C@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-]	ZINC000864530006	638013272	/nfs/dbraw/zinc/01/32/72/638013272.db2.gz	QMCPENMJYLHLEP-JTQLQIEISA-N	-1	0	282.409	2.950	20	30		CFEDRM
C=C(C)C[C@H](NCc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000864529757	638013316	/nfs/dbraw/zinc/01/33/16/638013316.db2.gz	LWEWJCPIZNLIAD-JTQLQIEISA-N	-1	0	268.382	2.776	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C)C1	ZINC000076761907	650402047	/nfs/dbraw/zinc/40/20/47/650402047.db2.gz	ZYOVKMVCKSGVJX-QWRGUYRKSA-N	-1	0	261.387	2.899	20	30		CFEDRM
O=C(CCCC1CCCC1)[N-]S(=O)(=O)N1CCCC1	ZINC000076877528	650408487	/nfs/dbraw/zinc/40/84/87/650408487.db2.gz	LMEMGZGRBUOYRZ-UHFFFAOYSA-N	-1	0	288.413	2.644	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCOc2ccccc21	ZINC000077558835	650432050	/nfs/dbraw/zinc/43/20/50/650432050.db2.gz	SIPJNJSMJGCDIM-GFCCVEGCSA-N	-1	0	297.376	2.639	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](c1ccccc1)C(C)C	ZINC000191260348	650485654	/nfs/dbraw/zinc/48/56/54/650485654.db2.gz	SUDLVTUCXZIRNH-HNNXBMFYSA-N	-1	0	289.375	2.916	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1ccc([O-])c(F)c1	ZINC000122678120	639308718	/nfs/dbraw/zinc/30/87/18/639308718.db2.gz	GOKUSCGOGYUKQU-HWKANZROSA-N	-1	0	280.686	2.814	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H]1CCCc2ccccc21	ZINC000191263582	650485808	/nfs/dbraw/zinc/48/58/08/650485808.db2.gz	XURVGARRXPWAAA-AWEZNQCLSA-N	-1	0	287.359	2.596	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000122827918	639450399	/nfs/dbraw/zinc/45/03/99/639450399.db2.gz	KKLKAYQOSRCFFA-AWEZNQCLSA-N	-1	0	295.342	2.578	20	30		CFEDRM
CC[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)C(C)(C)C	ZINC000870242419	639559280	/nfs/dbraw/zinc/55/92/80/639559280.db2.gz	BVOISEFTJQPOIR-RYUDHWBXSA-N	-1	0	289.379	2.774	20	30		CFEDRM
CCCCCC[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123022433	639563103	/nfs/dbraw/zinc/56/31/03/639563103.db2.gz	DQCSBSIHDBVOFM-QWHCGFSZSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)CCC	ZINC000123130738	639644091	/nfs/dbraw/zinc/64/40/91/639644091.db2.gz	DAEYCKFTRFMXCD-UHFFFAOYSA-N	-1	0	263.403	2.593	20	30		CFEDRM
CN(C(=O)c1cccc(Cl)c1[O-])[C@@H]1CCC[C@H]1C#N	ZINC000870673185	639763012	/nfs/dbraw/zinc/76/30/12/639763012.db2.gz	DDDHZNMTOGQZBX-JOYOIKCWSA-N	-1	0	278.739	2.810	20	30		CFEDRM
C[C@@H]1CCC[C@]1(C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689741	639772296	/nfs/dbraw/zinc/77/22/96/639772296.db2.gz	AURYCSNTINSYIM-ABAIWWIYSA-N	-1	0	258.321	2.795	20	30		CFEDRM
CC[C@H](C)CC[C@@H](O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689769	639772544	/nfs/dbraw/zinc/77/25/44/639772544.db2.gz	BEYOKIZXLXKDGZ-GXTWGEPZSA-N	-1	0	290.363	2.546	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@@]23C[C@@H]2CCCC3)c1	ZINC000870692122	639774538	/nfs/dbraw/zinc/77/45/38/639774538.db2.gz	YLSWOCZSLSFWMH-WFASDCNBSA-N	-1	0	256.305	2.549	20	30		CFEDRM
Cc1cscc1C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000079137377	650563280	/nfs/dbraw/zinc/56/32/80/650563280.db2.gz	ZHPHOKAKBLXETC-UHFFFAOYSA-N	-1	0	287.387	2.812	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)CC1	ZINC000870835120	641091924	/nfs/dbraw/zinc/09/19/24/641091924.db2.gz	COLFVRNHEBGMPB-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC[C@H](C)CC)CC1	ZINC000870835896	641091967	/nfs/dbraw/zinc/09/19/67/641091967.db2.gz	MWSFGJBIQHCTCM-GFCCVEGCSA-N	-1	0	287.425	2.758	20	30		CFEDRM
CCOC1CC2(C[C@H]2/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871598221	641363814	/nfs/dbraw/zinc/36/38/14/641363814.db2.gz	JBIWVYLUBXZMHP-FXGGCJOYSA-N	-1	0	290.319	2.677	20	30		CFEDRM
[O-]c1c(C=NOCCC(F)(F)F)ccc(F)c1F	ZINC000872366185	641772088	/nfs/dbraw/zinc/77/20/88/641772088.db2.gz	SOMRERBGJFPLJC-UHFFFAOYSA-N	-1	0	269.169	2.973	20	30		CFEDRM
C[C@H](NN=Cc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000872379970	641783064	/nfs/dbraw/zinc/78/30/64/641783064.db2.gz	AHAINXAROQZZGK-YFKPBYRVSA-N	-1	0	268.185	2.545	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNC[C@@H]1CCCC1(F)F	ZINC000872405173	641793917	/nfs/dbraw/zinc/79/39/17/641793917.db2.gz	HHWIPIRXAWNMEP-JTQLQIEISA-N	-1	0	299.277	2.659	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNC[C@@H]1CCCC1(F)F	ZINC000872407422	641797207	/nfs/dbraw/zinc/79/72/07/641797207.db2.gz	SRYOGEVMDNJDHK-VWYCJHECSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CC)CCC)C(=O)[O-]	ZINC000872740894	641918036	/nfs/dbraw/zinc/91/80/36/641918036.db2.gz	QTCCLCOFECMUAQ-ZJUUUORDSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000872982000	641976617	/nfs/dbraw/zinc/97/66/17/641976617.db2.gz	QWGCDILYXDBUJC-AWEZNQCLSA-N	-1	0	291.391	2.674	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1sccc1C(F)F	ZINC000873497969	642224254	/nfs/dbraw/zinc/22/42/54/642224254.db2.gz	NTLLRLFBSGEZAB-MRVPVSSYSA-N	-1	0	286.303	2.533	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1C(=O)[O-]	ZINC000874413613	642381565	/nfs/dbraw/zinc/38/15/65/642381565.db2.gz	NYOUEMFHBVBXIB-CYBMUJFWSA-N	-1	0	288.347	2.635	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000874420704	642381954	/nfs/dbraw/zinc/38/19/54/642381954.db2.gz	RCPKDEISYGXSDJ-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)cc2)ccc1CC(=O)[O-]	ZINC000874970851	642567289	/nfs/dbraw/zinc/56/72/89/642567289.db2.gz	DJILDPFRMUTSQY-UHFFFAOYSA-N	-1	0	265.268	2.665	20	30		CFEDRM
N#Cc1c(Cl)cccc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085329654	650789061	/nfs/dbraw/zinc/78/90/61/650789061.db2.gz	KSLRKXGRQCWYDL-KCJUWKMLSA-N	-1	0	264.712	2.877	20	30		CFEDRM
CCOc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055532	650794707	/nfs/dbraw/zinc/79/47/07/650794707.db2.gz	TWNMDAOXTYRBEP-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C/c2cccc(C(=O)[O-])c2)c1	ZINC000126467255	643235504	/nfs/dbraw/zinc/23/55/04/643235504.db2.gz	PSRAJHIDVQIQLB-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C[C@H](C#N)CN(Cc1nnc(-c2ccccc2O)o1)C1CC1	ZINC000878298917	643829192	/nfs/dbraw/zinc/82/91/92/643829192.db2.gz	KYUSURQWHYIJCP-LLVKDONJSA-N	-1	0	298.346	2.566	20	30		CFEDRM
CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])no1	ZINC000127064190	643856314	/nfs/dbraw/zinc/85/63/14/643856314.db2.gz	OFISPVKNNFAAKU-UHFFFAOYSA-N	-1	0	271.276	2.628	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCc1ccc(O)c(F)c1	ZINC000878912778	644072534	/nfs/dbraw/zinc/07/25/34/644072534.db2.gz	OWHMRWNBFSYGEL-UHFFFAOYSA-N	-1	0	251.301	2.750	20	30		CFEDRM
N#Cc1nc(N2CCCC[C@@H]2CC(=O)[O-])sc1Cl	ZINC000886914158	647173946	/nfs/dbraw/zinc/17/39/46/647173946.db2.gz	RAVARLUGUVKCGR-SSDOTTSWSA-N	-1	0	285.756	2.502	20	30		CFEDRM
CC(C)[C@H]1CCc2[n-]n(-c3ccc(C#N)cn3)c(=O)c2C1	ZINC000887295201	647262891	/nfs/dbraw/zinc/26/28/91/647262891.db2.gz	ZRWBYSDDVWBTOX-STQMWFEESA-N	-1	0	282.347	2.728	20	30		CFEDRM
C#CC1(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)CCCC1	ZINC000887315900	647267580	/nfs/dbraw/zinc/26/75/80/647267580.db2.gz	FDZLQNIRDDAZOE-HNNXBMFYSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC1(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])CCCC1	ZINC000887316425	647267671	/nfs/dbraw/zinc/26/76/71/647267671.db2.gz	PVGULKPELYDFPH-UHFFFAOYSA-N	-1	0	285.343	2.677	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926567290	648536178	/nfs/dbraw/zinc/53/61/78/648536178.db2.gz	PFURSMBYDKWIAZ-QWRGUYRKSA-N	-1	0	257.330	2.567	20	30		CFEDRM
N#C[C@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2O)C1	ZINC000928211421	648873366	/nfs/dbraw/zinc/87/33/66/648873366.db2.gz	HIYCPQUYEOPRHK-LLVKDONJSA-N	-1	0	296.326	2.627	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cnn(C3CCCC3)c2)cc1[O-]	ZINC000928794170	648956305	/nfs/dbraw/zinc/95/63/05/648956305.db2.gz	RYROUGQAEZNEGA-UHFFFAOYSA-N	-1	0	296.330	2.828	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000929025826	648974300	/nfs/dbraw/zinc/97/43/00/648974300.db2.gz	JKHHOTZLQMNUMY-KBPBESRZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](CC)c1ccccc1F	ZINC000929040814	648975010	/nfs/dbraw/zinc/97/50/10/648975010.db2.gz	IQEQYXUEFLJBOI-ZDUSSCGKSA-N	-1	0	294.326	2.559	20	30		CFEDRM
C#CCN(CC)C(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000930580496	649280325	/nfs/dbraw/zinc/28/03/25/649280325.db2.gz	SYBXVXQHNLTJAN-UHFFFAOYSA-N	-1	0	272.131	2.794	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)c1cc(F)cc(F)c1[O-]	ZINC000931111783	649381621	/nfs/dbraw/zinc/38/16/21/649381621.db2.gz	SUSOUVOHSJPBFH-UHFFFAOYSA-N	-1	0	295.207	2.861	20	30		CFEDRM
C[C@H](C#N)CNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000932472780	649607507	/nfs/dbraw/zinc/60/75/07/649607507.db2.gz	QHUQPIIREGOYCJ-ZCFIWIBFSA-N	-1	0	273.119	2.588	20	30		CFEDRM
C=CC[C@H]1CCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000934467754	649789616	/nfs/dbraw/zinc/78/96/16/649789616.db2.gz	UHBKMOKIXSUGKQ-VIFPVBQESA-N	-1	0	261.350	2.547	20	30		CFEDRM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1O	ZINC000254628037	651093295	/nfs/dbraw/zinc/09/32/95/651093295.db2.gz	VZOQOZQXLIKTDA-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(F)c2F)c1F	ZINC001243512675	782247808	/nfs/dbraw/zinc/24/78/08/782247808.db2.gz	YBIWSKOLGGOLLJ-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)cn1	ZINC001243512903	782248484	/nfs/dbraw/zinc/24/84/84/782248484.db2.gz	BFQJWCUAADOXSD-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1cnc(-c2ccc(Cl)c([O-])c2)c(C#N)c1	ZINC001243576121	782286250	/nfs/dbraw/zinc/28/62/50/782286250.db2.gz	BXVQMYMHDYJFCI-UHFFFAOYSA-N	-1	0	255.664	2.851	20	30		CFEDRM
N#Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1O	ZINC001203330216	782278783	/nfs/dbraw/zinc/27/87/83/782278783.db2.gz	PPBNJCBUZLTWCW-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229239247	776762184	/nfs/dbraw/zinc/76/21/84/776762184.db2.gz	LMWUYVBHSZQLEL-LLVKDONJSA-N	-1	0	286.331	2.915	20	30		CFEDRM
COc1nc(-c2cc(F)c([O-])cc2F)c(F)cc1C#N	ZINC001206768194	769873418	/nfs/dbraw/zinc/87/34/18/769873418.db2.gz	QMPMULCHJUEASD-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
COc1cccc([N-]c2noc(C(C)(C)C)n2)c1C#N	ZINC001210119096	770211203	/nfs/dbraw/zinc/21/12/03/770211203.db2.gz	UFHHVSFOZVKJEZ-UHFFFAOYSA-N	-1	0	272.308	2.991	20	30		CFEDRM
COC1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1	ZINC000588409939	770555947	/nfs/dbraw/zinc/55/59/47/770555947.db2.gz	NXUAMZTYYUEOQI-CHHVJCJISA-N	-1	0	298.726	2.942	20	30		CFEDRM
Cc1cc(Nc2scc([O-])c2C#N)ccc1CO	ZINC001211575260	775098431	/nfs/dbraw/zinc/09/84/31/775098431.db2.gz	LYOPJASEKYWUHY-UHFFFAOYSA-N	-1	0	260.318	2.870	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC[P@@](=O)([O-])O	ZINC001224603124	775224978	/nfs/dbraw/zinc/22/49/78/775224978.db2.gz	VLWXHXYWUOORMC-GRYCIOLGSA-N	-1	0	262.286	2.562	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517736	775489447	/nfs/dbraw/zinc/48/94/47/775489447.db2.gz	LLHPPAMPEFECHY-GFCCVEGCSA-N	-1	0	294.372	2.916	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)ncc2F)C(C)(C)O1	ZINC001225884672	775623378	/nfs/dbraw/zinc/62/33/78/775623378.db2.gz	HWWURAODLNFYHK-QMTHXVAHSA-N	-1	0	282.315	2.602	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H](c1cccnc1)C1CC1	ZINC001226008570	775665693	/nfs/dbraw/zinc/66/56/93/775665693.db2.gz	IXWGTMIHGJTGTK-ZDUSSCGKSA-N	-1	0	285.278	2.723	20	30		CFEDRM
CCCC(=O)[C@H](CCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008774	775665971	/nfs/dbraw/zinc/66/59/71/775665971.db2.gz	MIXFDYGWMGAEHF-LBPRGKRZSA-N	-1	0	280.299	2.715	20	30		CFEDRM
C[C@@H]1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009119	775666008	/nfs/dbraw/zinc/66/60/08/775666008.db2.gz	SPGUGKXIVBZEEX-SCZZXKLOSA-N	-1	0	250.273	2.755	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1C#N	ZINC001226009443	775666163	/nfs/dbraw/zinc/66/61/63/775666163.db2.gz	XZPNRUJAFJQMIL-SECBINFHSA-N	-1	0	283.262	2.810	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)c2cccnc2)c1C#N	ZINC001226222032	775740473	/nfs/dbraw/zinc/74/04/73/775740473.db2.gz	SQJAQVZIPVLGHR-JTQLQIEISA-N	-1	0	255.277	2.502	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC2Cc3ccccc3C2)c1C#N	ZINC001226221491	775740657	/nfs/dbraw/zinc/74/06/57/775740657.db2.gz	LWHKVRVMVIJTIN-UHFFFAOYSA-N	-1	0	266.300	2.514	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)COC(C)(C)C)c1C#N	ZINC001226222037	775740925	/nfs/dbraw/zinc/74/09/25/775740925.db2.gz	SSYMRWIMGFBWLK-SNVBAGLBSA-N	-1	0	264.325	2.550	20	30		CFEDRM
Cc1cc(=O)[n-]c(OCc2ccc(OC(C)C)nc2)c1C#N	ZINC001226221014	775741646	/nfs/dbraw/zinc/74/16/46/775741646.db2.gz	FXFGXFRECCXEOU-UHFFFAOYSA-N	-1	0	299.330	2.729	20	30		CFEDRM
CO[C@@H](COc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226222211	775741691	/nfs/dbraw/zinc/74/16/91/775741691.db2.gz	WDAUHLXSZJKPBY-AWEZNQCLSA-N	-1	0	284.315	2.734	20	30		CFEDRM
C=C(C)C[C@H](Oc1ccc(O)cc1S(=O)(=O)[O-])C(=C)C	ZINC001226416326	775812113	/nfs/dbraw/zinc/81/21/13/775812113.db2.gz	MNCSTEOIMLPHND-ZDUSSCGKSA-N	-1	0	298.360	2.929	20	30		CFEDRM
CCC#C[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531530	775862446	/nfs/dbraw/zinc/86/24/46/775862446.db2.gz	CBJWVRRZZBNEKO-LLVKDONJSA-N	-1	0	272.300	2.988	20	30		CFEDRM
C=CCC(CC=C)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226780475	775961576	/nfs/dbraw/zinc/96/15/76/775961576.db2.gz	LTYYFQYMEOVWMR-UHFFFAOYSA-N	-1	0	262.338	2.541	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccccc21	ZINC001226977869	776043712	/nfs/dbraw/zinc/04/37/12/776043712.db2.gz	VNUFLXAJGJKRBM-GWCFXTLKSA-N	-1	0	254.289	2.516	20	30		CFEDRM
C[C@H](Oc1ccc(Cl)cc1C(=O)NO)C1=CC=C[CH]1	ZINC001227175804	776124111	/nfs/dbraw/zinc/12/41/11/776124111.db2.gz	BKWNSKZYDPNAAA-VIFPVBQESA-N	-1	0	278.715	2.927	20	30		CFEDRM
N#CC[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227810913	776297617	/nfs/dbraw/zinc/29/76/17/776297617.db2.gz	YUALOTXBLXYHSZ-GFCCVEGCSA-N	-1	0	280.287	2.697	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1C#N	ZINC001227808331	776297963	/nfs/dbraw/zinc/29/79/63/776297963.db2.gz	IDCXVMXMWUNHQO-SECBINFHSA-N	-1	0	280.287	2.675	20	30		CFEDRM
N#C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1F	ZINC001228390413	776479329	/nfs/dbraw/zinc/47/93/29/776479329.db2.gz	MHLRMZZMLZQNFV-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C#C[C@H](CCCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228439020	776491437	/nfs/dbraw/zinc/49/14/37/776491437.db2.gz	WHNYDRZGDWYMEU-GFCCVEGCSA-N	-1	0	288.376	2.522	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc(=O)[n-]cc1Cl	ZINC001228483208	776504453	/nfs/dbraw/zinc/50/44/53/776504453.db2.gz	SMAVPOZHTHIRFU-LURJTMIESA-N	-1	0	262.762	2.701	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1[n-]c(=O)nc2ncn(C)c21	ZINC001228675534	776564125	/nfs/dbraw/zinc/56/41/25/776564125.db2.gz	VORDRODBKGIXRD-SNVBAGLBSA-N	-1	0	276.340	2.583	20	30		CFEDRM
C#C[C@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228859644	776636557	/nfs/dbraw/zinc/63/65/57/776636557.db2.gz	MKBRTKRZPCMLLR-ZCFIWIBFSA-N	-1	0	290.197	2.505	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1OC1CC(OCc2ccccc2)C1	ZINC001228898790	776649535	/nfs/dbraw/zinc/64/95/35/776649535.db2.gz	LXHQJIRFLLBVHG-UHFFFAOYSA-N	-1	0	296.326	2.785	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccnc1Cl	ZINC001228899336	776650377	/nfs/dbraw/zinc/65/03/77/776650377.db2.gz	VFUHKHVZEVSTKR-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C=C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228903124	776653012	/nfs/dbraw/zinc/65/30/12/776653012.db2.gz	VNHRFUSZJPHALY-CYBMUJFWSA-N	-1	0	252.273	2.965	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H](c1cccnc1)C(F)(F)F	ZINC001228903521	776653288	/nfs/dbraw/zinc/65/32/88/776653288.db2.gz	YIXPBLHFEDRQGK-LLVKDONJSA-N	-1	0	295.220	2.736	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137537	776730081	/nfs/dbraw/zinc/73/00/81/776730081.db2.gz	MIXGACVRAIAJTO-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
C=CC[C@@H](Oc1ncnc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001229610567	776856312	/nfs/dbraw/zinc/85/63/12/776856312.db2.gz	RYBXQULXVRDJOW-LLVKDONJSA-N	-1	0	277.711	2.927	20	30		CFEDRM
CC[C@H](C#CC(=O)OC)Oc1ccc([S-])cc1C	ZINC001229636218	776862861	/nfs/dbraw/zinc/86/28/61/776862861.db2.gz	BHJQKGQKLJSBDR-LLVKDONJSA-N	-1	0	264.346	2.618	20	30		CFEDRM
C[C@@H](C#C[Si](C)(C)C)Oc1ccccc1-c1nn[nH]n1	ZINC001229952113	776922993	/nfs/dbraw/zinc/92/29/93/776922993.db2.gz	YHLXFELMDBKETP-NSHDSACASA-N	-1	0	286.411	2.515	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1ccccc1-c1nn[nH]n1	ZINC001229951093	776923234	/nfs/dbraw/zinc/92/32/34/776923234.db2.gz	PSSNAIKRVUBPMM-LLVKDONJSA-N	-1	0	258.325	2.990	20	30		CFEDRM
C#C[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1	ZINC001230015008	776940330	/nfs/dbraw/zinc/94/03/30/776940330.db2.gz	SCGHICGFHHEZIC-SNVBAGLBSA-N	-1	0	260.680	2.589	20	30		CFEDRM
C#C[C@H](Oc1ncc(C(=O)OC)[n-]1)[C@H](CC)CCCC	ZINC001230280719	776971156	/nfs/dbraw/zinc/97/11/56/776971156.db2.gz	ZPVXBEWVCLKAKF-YPMHNXCESA-N	-1	0	278.352	2.793	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230863284	777077470	/nfs/dbraw/zinc/07/74/70/777077470.db2.gz	ZQFPXFBLBZOMAY-JTQLQIEISA-N	-1	0	272.304	2.854	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2cc(F)ccc21)[C@H](C)S	ZINC001230882733	777080511	/nfs/dbraw/zinc/08/05/11/777080511.db2.gz	HQEGQDUSFKHVCG-RQJHMYQMSA-N	-1	0	268.313	2.560	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cc(C)ccc21)C(C)C	ZINC001230889023	777083271	/nfs/dbraw/zinc/08/32/71/777083271.db2.gz	RIVDTFMBKKQXSJ-CYBMUJFWSA-N	-1	0	256.305	2.680	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888387	777083423	/nfs/dbraw/zinc/08/34/23/777083423.db2.gz	LOLJVFNMZLHFLL-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C1O[C@H](C)C(=O)C1Oc1cccc2oc(=S)[n-]c21	ZINC001231064206	777129940	/nfs/dbraw/zinc/12/99/40/777129940.db2.gz	CJDFMXPXIXXQIU-ZCFIWIBFSA-N	-1	0	277.301	2.715	20	30		CFEDRM
C#C[C@H](Oc1cccc(-c2nn[nH]n2)c1)c1ccccc1	ZINC001231119031	777147421	/nfs/dbraw/zinc/14/74/21/777147421.db2.gz	YCXNFLPFJOUJJM-HNNXBMFYSA-N	-1	0	276.299	2.620	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008022	777375280	/nfs/dbraw/zinc/37/52/80/777375280.db2.gz	CQVJXNMIYUEXJD-JTQLQIEISA-N	-1	0	250.273	2.922	20	30		CFEDRM
C[C@H](C#N)N(C)Cc1c([O-])cc(Br)cc1F	ZINC001233029179	777769405	/nfs/dbraw/zinc/76/94/05/777769405.db2.gz	AVYCUVUBGLMOGH-SSDOTTSWSA-N	-1	0	287.132	2.638	20	30		CFEDRM
CCCCN(CC#N)Cc1ccc(F)c(F)c1[O-]	ZINC001233078359	777788937	/nfs/dbraw/zinc/78/89/37/777788937.db2.gz	SIDSODFFYRXIIX-UHFFFAOYSA-N	-1	0	254.280	2.796	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)o1	ZINC000127243869	777938491	/nfs/dbraw/zinc/93/84/91/777938491.db2.gz	XMPSCOVWCZKNGT-CQSZACIVSA-N	-1	0	288.347	2.668	20	30		CFEDRM
C#C[C@@H](Oc1cc([O-])cc2occc(=O)c12)C(C)C	ZINC001233835485	778090523	/nfs/dbraw/zinc/09/05/23/778090523.db2.gz	ZEAFYHMRQIGPCD-GFCCVEGCSA-N	-1	0	258.273	2.535	20	30		CFEDRM
CC#C[C@H](CC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234046200	778152071	/nfs/dbraw/zinc/15/20/71/778152071.db2.gz	ZMMVNFCTHWCUCA-JTQLQIEISA-N	-1	0	272.304	2.530	20	30		CFEDRM
CC[C@H]1OC(=O)C(Oc2ccc(C(C)=NO)cc2)=C1C	ZINC001234083595	778160946	/nfs/dbraw/zinc/16/09/46/778160946.db2.gz	PDNSVTUHXUIPLE-CYBMUJFWSA-N	-1	0	275.304	2.873	20	30		CFEDRM
C#C[C@@H](C)Oc1[n-]c(=O)nc2cc(C(F)(F)F)ccc21	ZINC001234412611	778219174	/nfs/dbraw/zinc/21/91/74/778219174.db2.gz	SMXJQNWQWDGTHA-SSDOTTSWSA-N	-1	0	282.221	2.755	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)C(F)(F)F	ZINC001234511937	778241047	/nfs/dbraw/zinc/24/10/47/778241047.db2.gz	YVZWCBVGRWLZMX-LURJTMIESA-N	-1	0	283.209	2.537	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(F)(F)F	ZINC001234515447	778241431	/nfs/dbraw/zinc/24/14/31/778241431.db2.gz	HVIMNEOPIGSQPU-ZCFIWIBFSA-N	-1	0	283.209	2.537	20	30		CFEDRM
C[C@@H](Cc1ccco1)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530235	778245385	/nfs/dbraw/zinc/24/53/85/778245385.db2.gz	JKLDJUXWFTWDQH-JTQLQIEISA-N	-1	0	295.298	2.810	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234570320	778254946	/nfs/dbraw/zinc/25/49/46/778254946.db2.gz	WOEFWWFGYKZEEF-VIFPVBQESA-N	-1	0	299.168	2.824	20	30		CFEDRM
C#C[C@H](C)Oc1[n-]c2sccc2c(=O)c1C(=O)OCC	ZINC001234598517	778261153	/nfs/dbraw/zinc/26/11/53/778261153.db2.gz	IWOFPAGTIVQOMR-QMMMGPOBSA-N	-1	0	291.328	2.579	20	30		CFEDRM
C#C[C@@H](CCC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815613	778300599	/nfs/dbraw/zinc/30/05/99/778300599.db2.gz	XRJNGSBADUQINE-LBPRGKRZSA-N	-1	0	272.300	2.988	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235077171	778372456	/nfs/dbraw/zinc/37/24/56/778372456.db2.gz	IVHCGVKRAKETKH-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1cnc(-c2ccc(/C=C/C(=O)[O-])cc2)c(F)c1	ZINC001235150474	778397537	/nfs/dbraw/zinc/39/75/37/778397537.db2.gz	YFAXSNPMYFKQAA-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-]	ZINC000721261090	778515534	/nfs/dbraw/zinc/51/55/34/778515534.db2.gz	PDKWEXOYASEUPI-SCRDCRAPSA-N	-1	0	267.369	2.526	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236055901	778671402	/nfs/dbraw/zinc/67/14/02/778671402.db2.gz	QABMXNLPUVFPSI-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
O=C([O-])c1ccc(-c2ccc(/C=N/O)c(F)c2)cc1	ZINC001236063263	778676291	/nfs/dbraw/zinc/67/62/91/778676291.db2.gz	FXGGWDXWIPSXBY-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
O=C([O-])c1ccc(-c2cc(/C=N/O)ccc2F)cc1	ZINC001236065347	778678651	/nfs/dbraw/zinc/67/86/51/778678651.db2.gz	LXFLQADJBBAMMR-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3ccc(C(=O)[O-])cc3)cc12	ZINC001236065896	778678794	/nfs/dbraw/zinc/67/87/94/778678794.db2.gz	QDXXSYYHNARMEQ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1c(Cl)c(-c2nccnc2CC#N)ccc1C(=O)[O-]	ZINC001236109880	778698534	/nfs/dbraw/zinc/69/85/34/778698534.db2.gz	ZZGHDRUPCCKPBG-UHFFFAOYSA-N	-1	0	287.706	2.870	20	30		CFEDRM
Cc1nc(C#N)cc(-c2ccc(C(=O)[O-])c(C)c2Cl)n1	ZINC001236115103	778699412	/nfs/dbraw/zinc/69/94/12/778699412.db2.gz	XOEFKMQAUIUXMN-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F	ZINC000698712526	779022763	/nfs/dbraw/zinc/02/27/63/779022763.db2.gz	HPGINVAPCXMZAW-VIFPVBQESA-N	-1	0	283.290	2.869	20	30		CFEDRM
CC(C)(C)c1cc(C(=O)Nc2cc(C#N)ccc2[O-])n[nH]1	ZINC000176396085	779122361	/nfs/dbraw/zinc/12/23/61/779122361.db2.gz	KXQMGKNDNAZXIG-UHFFFAOYSA-N	-1	0	284.319	2.537	20	30		CFEDRM
Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176396173	779122561	/nfs/dbraw/zinc/12/25/61/779122561.db2.gz	MOEIVIHFMIBQDQ-UHFFFAOYSA-N	-1	0	282.299	2.590	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccc3c(c2)CCC3)c1	ZINC000176405538	779125743	/nfs/dbraw/zinc/12/57/43/779125743.db2.gz	NZBURJFUSCLOIB-UHFFFAOYSA-N	-1	0	292.338	2.934	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1	ZINC000130511689	779443735	/nfs/dbraw/zinc/44/37/35/779443735.db2.gz	ZYSPKKKWEALRFM-NSHDSACASA-N	-1	0	298.264	2.552	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239245114	779483013	/nfs/dbraw/zinc/48/30/13/779483013.db2.gz	JVAQGTXRXJFPDC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])cc1F	ZINC001239246459	779483955	/nfs/dbraw/zinc/48/39/55/779483955.db2.gz	BHQFKQXWIDCNEZ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])cc1F	ZINC001239261608	779489887	/nfs/dbraw/zinc/48/98/87/779489887.db2.gz	JFOCPAMLPIEEFY-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
Cc1nccc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1C#N	ZINC001239364936	779539255	/nfs/dbraw/zinc/53/92/55/779539255.db2.gz	BAKJMOLOZKQMGB-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C#C[C@H]1CCCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237540474	779696043	/nfs/dbraw/zinc/69/60/43/779696043.db2.gz	YFRJDIIKWCQZCT-VIFPVBQESA-N	-1	0	285.174	2.939	20	30		CFEDRM
N#CCc1ccnc(-c2cccc(/C=C/C(=O)[O-])c2)c1	ZINC001240546681	780241468	/nfs/dbraw/zinc/24/14/68/780241468.db2.gz	HCRJRRWLYPTZIL-SNAWJCMRSA-N	-1	0	264.284	2.912	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240547132	780241779	/nfs/dbraw/zinc/24/17/79/780241779.db2.gz	PPPJDWSCDCPGDL-AATRIKPKSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#Cc1cccnc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240548366	780242559	/nfs/dbraw/zinc/24/25/59/780242559.db2.gz	PTXYNJJHBSTSMP-VOTSOKGWSA-N	-1	0	250.257	2.718	20	30		CFEDRM
C=CC[C@@H](NC(=O)[C@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001116905756	780257216	/nfs/dbraw/zinc/25/72/16/780257216.db2.gz	AABBWHIYOCZFJM-CHWSQXEVSA-N	-1	0	267.369	2.738	20	30		CFEDRM
Cc1nc(C#N)c(Nc2cc(F)cc(F)c2O)o1	ZINC001212481674	780398791	/nfs/dbraw/zinc/39/87/91/780398791.db2.gz	CUVTVNMICQSJML-UHFFFAOYSA-N	-1	0	251.192	2.582	20	30		CFEDRM
Cc1ncc(C#N)cc1Nc1cc(F)cc(F)c1O	ZINC001212481814	780398992	/nfs/dbraw/zinc/39/89/92/780398992.db2.gz	KJJRVVAYRGVTTF-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
COc1cc(-c2cc(C)c(C#N)c(C)n2)ccc1C(=O)[O-]	ZINC001240744058	780409972	/nfs/dbraw/zinc/40/99/72/780409972.db2.gz	XLHFVGMQTQUIJD-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3ccc(C(=O)[O-])s3)c2c1	ZINC001240843756	780469921	/nfs/dbraw/zinc/46/99/21/780469921.db2.gz	HKZFSLYNWHCYRQ-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
N#Cc1ccc2ncc(-c3ccc(C(=O)[O-])s3)nc2c1	ZINC001240842977	780470385	/nfs/dbraw/zinc/47/03/85/780470385.db2.gz	ACESVLMXKFMQQS-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
COc1cccc(-c2ccc(C(=O)[O-])s2)c1C#N	ZINC001240847510	780473566	/nfs/dbraw/zinc/47/35/66/780473566.db2.gz	VZOPVZAPLLDRBT-UHFFFAOYSA-N	-1	0	259.286	2.994	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])s2)c1	ZINC001240846982	780473823	/nfs/dbraw/zinc/47/38/23/780473823.db2.gz	HBGAMIYQJACLAQ-UHFFFAOYSA-N	-1	0	254.270	2.857	20	30		CFEDRM
Cc1cnc(-c2ccc(CC(=O)[O-])cc2)c(C#N)c1	ZINC001240971460	780559501	/nfs/dbraw/zinc/55/95/01/780559501.db2.gz	ANDMABACEWCPJP-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cnc(C#N)c(F)c1	ZINC001241001170	780584473	/nfs/dbraw/zinc/58/44/73/780584473.db2.gz	TXKPBNKWDRJSSW-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccc2ncc(C#N)n2c1	ZINC001241003047	780586479	/nfs/dbraw/zinc/58/64/79/780586479.db2.gz	QYISOEDDFYVASS-UHFFFAOYSA-N	-1	0	277.283	2.880	20	30		CFEDRM
Cc1ccc(-c2nc3c(cc2C#N)COCC3)c([O-])c1	ZINC001241035811	780606808	/nfs/dbraw/zinc/60/68/08/780606808.db2.gz	JAOJEIYKPOBHTP-UHFFFAOYSA-N	-1	0	266.300	2.707	20	30		CFEDRM
Cc1cc(C#N)cc(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241184597	780688697	/nfs/dbraw/zinc/68/86/97/780688697.db2.gz	CULRCEKRJJVJDQ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)nc1C#N	ZINC001241243689	780727642	/nfs/dbraw/zinc/72/76/42/780727642.db2.gz	PGPDQLBLZGMMQY-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(-c2cc([O-])cc(F)c2)nc(C2CC2)n1	ZINC001241267433	780745059	/nfs/dbraw/zinc/74/50/59/780745059.db2.gz	VMBTYOGBICWEFH-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC001241344901	780798638	/nfs/dbraw/zinc/79/86/38/780798638.db2.gz	XCWMHOFAXGVXGC-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
COc1cc(C#N)ccc1-c1cnc(C(=O)[O-])c(C)c1	ZINC001241408186	780854338	/nfs/dbraw/zinc/85/43/38/780854338.db2.gz	MIQWBLHKYGYYDN-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#CC1(CNc2ncc(Cl)cc2C(=O)[O-])CCC1	ZINC001162413553	780926590	/nfs/dbraw/zinc/92/65/90/780926590.db2.gz	WNAVNTHQWHPGQP-UHFFFAOYSA-N	-1	0	265.700	2.539	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cncc(C(=O)[O-])c1)CCCC2	ZINC001241800413	781131878	/nfs/dbraw/zinc/13/18/78/781131878.db2.gz	SUMTXSVUWZSNKV-UHFFFAOYSA-N	-1	0	279.299	2.592	20	30		CFEDRM
COC(=O)c1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1C#N	ZINC001241827215	781145663	/nfs/dbraw/zinc/14/56/63/781145663.db2.gz	CRRBMZUYQXSEHU-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(-c2ccc(CC#N)nc2)cc1C(=O)[O-]	ZINC001241868287	781159276	/nfs/dbraw/zinc/15/92/76/781159276.db2.gz	CAYZHBRMNSZHPI-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2cccc(/C=N/O)c2)cc1C(=O)[O-]	ZINC001241874694	781161755	/nfs/dbraw/zinc/16/17/55/781161755.db2.gz	JMOSEEQNAPUCMS-CXUHLZMHSA-N	-1	0	271.272	2.869	20	30		CFEDRM
COc1ccc(-c2ccc3ncc(C#N)n3c2)cc1C(=O)[O-]	ZINC001241874562	781162204	/nfs/dbraw/zinc/16/22/04/781162204.db2.gz	GFQGMBOXOAEXGA-UHFFFAOYSA-N	-1	0	293.282	2.580	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2ccc(F)cc2[O-])nc1	ZINC001242218531	781333299	/nfs/dbraw/zinc/33/32/99/781333299.db2.gz	YWZBVNKXQKTCPZ-UHFFFAOYSA-N	-1	0	272.279	2.509	20	30		CFEDRM
N#Cc1cc2c(nc1-c1ccc(F)cc1[O-])CCC2	ZINC001242218261	781333557	/nfs/dbraw/zinc/33/35/57/781333557.db2.gz	PWLJUSOBIVMDSL-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3cccc(CC(=O)[O-])c3)c12	ZINC001242264042	781348525	/nfs/dbraw/zinc/34/85/25/781348525.db2.gz	ULKDGRMJYGTJCL-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
COc1cccc(-c2cnc(C(=O)[O-])c(C)c2)c1C#N	ZINC001242301714	781382395	/nfs/dbraw/zinc/38/23/95/781382395.db2.gz	WLFMONOMSOCOIB-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1c(F)ccc(-c2ccc(C(=O)[O-])nc2)c1F	ZINC001242337422	781409683	/nfs/dbraw/zinc/40/96/83/781409683.db2.gz	BKSURCZNMCBCTQ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cc(-c2nc[n-]c3nc(=S)sc2-3)cnc1C#N	ZINC001242354554	781429319	/nfs/dbraw/zinc/42/93/19/781429319.db2.gz	GZBRARYFYGEBDH-UHFFFAOYSA-N	-1	0	285.357	2.617	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3cccc(Cl)c3[O-])c12	ZINC001242362627	781436512	/nfs/dbraw/zinc/43/65/12/781436512.db2.gz	NSXLGJSQTBKTRG-UHFFFAOYSA-N	-1	0	270.679	2.807	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cccc(Cl)c1[O-]	ZINC001242362692	781436554	/nfs/dbraw/zinc/43/65/54/781436554.db2.gz	LRHKJFFKEDYURC-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
CCc1nc(C#N)c(C#N)nc1-c1cccc(Cl)c1[O-]	ZINC001242364750	781437654	/nfs/dbraw/zinc/43/76/54/781437654.db2.gz	CWTORVLHRXAVIE-UHFFFAOYSA-N	-1	0	284.706	2.808	20	30		CFEDRM
N#CCc1cccnc1-c1cccc(C(=O)[O-])c1F	ZINC001242378391	781446524	/nfs/dbraw/zinc/44/65/24/781446524.db2.gz	ULQBETHXTQLJOY-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
CCc1nnc(-c2cccc(C(=O)[O-])c2F)c(C#N)c1CC	ZINC001242378954	781447854	/nfs/dbraw/zinc/44/78/54/781447854.db2.gz	VAPXLZHTRDJMAO-UHFFFAOYSA-N	-1	0	299.305	2.977	20	30		CFEDRM
N#Cc1cc(-c2cccc(C(=O)[O-])c2F)cnc1F	ZINC001242380869	781450601	/nfs/dbraw/zinc/45/06/01/781450601.db2.gz	WWTIJPMXLLMLAP-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cncc(CC#N)c1	ZINC001242391183	781460090	/nfs/dbraw/zinc/46/00/90/781460090.db2.gz	XFIJHQFNKPLZAJ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cnccc1CC#N	ZINC001242391743	781460297	/nfs/dbraw/zinc/46/02/97/781460297.db2.gz	AVKDTWPMSPJOAR-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C#N)c1	ZINC001242390955	781460366	/nfs/dbraw/zinc/46/03/66/781460366.db2.gz	QHLHUZMWZNOYEF-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1ccc2cnc(-c3ccc([O-])c(C#N)c3)nc2c1	ZINC001242562725	781601482	/nfs/dbraw/zinc/60/14/82/781601482.db2.gz	JIAQQYVBMFCYML-UHFFFAOYSA-N	-1	0	277.283	2.883	20	30		CFEDRM
COC(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1CC#N	ZINC001242880548	781819720	/nfs/dbraw/zinc/81/97/20/781819720.db2.gz	FYBGYKFGIVBNOO-UHFFFAOYSA-N	-1	0	295.294	2.904	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(CC#N)cnc1F	ZINC001242924320	781845680	/nfs/dbraw/zinc/84/56/80/781845680.db2.gz	RCEFXGQYYJKQBF-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccnc(CC#N)c1	ZINC001242925125	781847777	/nfs/dbraw/zinc/84/77/77/781847777.db2.gz	WUTFNPQLVCBDAD-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
C[C@@H](Nc1ncccc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594541780	349444325	/nfs/dbraw/zinc/44/43/25/349444325.db2.gz	ZZDLRSLFUDVUAF-ADEWGFFLSA-N	-1	0	273.336	2.501	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000595280328	349590288	/nfs/dbraw/zinc/59/02/88/349590288.db2.gz	CTRXPLKWJSJZQO-TXEJJXNPSA-N	-1	0	288.303	2.980	20	30		CFEDRM
N#Cc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000595977983	349773703	/nfs/dbraw/zinc/77/37/03/349773703.db2.gz	RCOWZCQWWXGEGK-LLVKDONJSA-N	-1	0	262.284	2.610	20	30		CFEDRM
N#Cc1cnc(NC[C@@H](CC(=O)[O-])C2CC2)c(Cl)c1	ZINC000595977148	349773846	/nfs/dbraw/zinc/77/38/46/349773846.db2.gz	FUQHNIWLFVRYHQ-SNVBAGLBSA-N	-1	0	279.727	2.519	20	30		CFEDRM
CC(C)(CCC#N)CN=c1nc(C2CCOCC2)[n-]s1	ZINC000596243989	349838802	/nfs/dbraw/zinc/83/88/02/349838802.db2.gz	NHZUMJRFOAOKBJ-UHFFFAOYSA-N	-1	0	294.424	2.596	20	30		CFEDRM
CO[C@](C)([C@H](C)N=c1[n-]c(C#N)c(Cl)s1)C1CC1	ZINC000596271824	349849358	/nfs/dbraw/zinc/84/93/58/349849358.db2.gz	CPEVGRUEPOKDEF-JVXZTZIISA-N	-1	0	285.800	2.706	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(C)C)n2)n1	ZINC000073087260	346959958	/nfs/dbraw/zinc/95/99/58/346959958.db2.gz	JJGIANSCPWJOPA-SNVBAGLBSA-N	-1	0	274.349	2.719	20	30		CFEDRM
C=CCCSCCN=c1nc(C(C)(C)C)o[n-]1	ZINC000596413032	349894518	/nfs/dbraw/zinc/89/45/18/349894518.db2.gz	AYVVKOTWWCDUFH-UHFFFAOYSA-N	-1	0	255.387	2.510	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000668288858	539412940	/nfs/dbraw/zinc/41/29/40/539412940.db2.gz	ISPNFRZCFFIDTB-QMMMGPOBSA-N	-1	0	273.741	2.551	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(-c3ccccn3)s2)CCCCC1	ZINC000596498957	349921322	/nfs/dbraw/zinc/92/13/22/349921322.db2.gz	HOTJPRKZVFOUBT-UHFFFAOYSA-N	-1	0	299.403	2.908	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2)c1O	ZINC000005110455	346210729	/nfs/dbraw/zinc/21/07/29/346210729.db2.gz	SRDVBCDHTSXRDT-KECVIQKOSA-N	-1	0	270.332	2.768	20	30		CFEDRM
CC(C)Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000026272411	346264132	/nfs/dbraw/zinc/26/41/32/346264132.db2.gz	WORBVHLFHYOFGL-UHFFFAOYSA-N	-1	0	293.330	2.604	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1C(=O)[O-]	ZINC000044749820	346398090	/nfs/dbraw/zinc/39/80/90/346398090.db2.gz	ZGMBZYXOJIVYNJ-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000054734126	346575965	/nfs/dbraw/zinc/57/59/65/346575965.db2.gz	QOTOUCJHFWSDAK-LLVKDONJSA-N	-1	0	294.314	2.668	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1C	ZINC000076757925	347152164	/nfs/dbraw/zinc/15/21/64/347152164.db2.gz	UJBPOHRHEXOYFO-SOFGYWHQSA-N	-1	0	279.361	2.915	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)s1	ZINC000076760476	347152181	/nfs/dbraw/zinc/15/21/81/347152181.db2.gz	BBBWLEOOBZAZMJ-UHFFFAOYSA-N	-1	0	273.379	2.892	20	30		CFEDRM
CC(C)[C@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000087506131	347496078	/nfs/dbraw/zinc/49/60/78/347496078.db2.gz	HJEBFOIFXYHJAC-JTQLQIEISA-N	-1	0	266.728	2.980	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000089285148	347515187	/nfs/dbraw/zinc/51/51/87/347515187.db2.gz	ZFVQAEBJPKIGBO-RKDXNWHRSA-N	-1	0	299.314	2.827	20	30		CFEDRM
CC[C@H](Nc1ccc(C#N)cc1Br)C(=O)[O-]	ZINC000168284807	348047752	/nfs/dbraw/zinc/04/77/52/348047752.db2.gz	SKOMEYQLCMSQLH-VIFPVBQESA-N	-1	0	283.125	2.596	20	30		CFEDRM
C=CCSCCNc1ncc(C(=O)[O-])cc1Cl	ZINC000231951765	348209495	/nfs/dbraw/zinc/20/94/95/348209495.db2.gz	VWFHIQATQKQANY-UHFFFAOYSA-N	-1	0	272.757	2.764	20	30		CFEDRM
O=[N+]([O-])c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254513225	348301731	/nfs/dbraw/zinc/30/17/31/348301731.db2.gz	FGXDZXGCBPLPOT-UHFFFAOYSA-N	-1	0	287.231	2.959	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(C(=O)[O-])cc2)nc1	ZINC000255076171	348302980	/nfs/dbraw/zinc/30/29/80/348302980.db2.gz	AUUZNWYHIYRZHN-CLTKARDFSA-N	-1	0	250.257	2.822	20	30		CFEDRM
CCC(CC)(CC)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000588767832	348795081	/nfs/dbraw/zinc/79/50/81/348795081.db2.gz	CDPVCGOVNRCBJF-UHFFFAOYSA-N	-1	0	274.368	2.736	20	30		CFEDRM
C[C@H](N=c1[n-]nc(-c2ccon2)s1)c1cccc(C#N)c1	ZINC000587989009	348764710	/nfs/dbraw/zinc/76/47/10/348764710.db2.gz	YYLNLRFMVBCBDV-VIFPVBQESA-N	-1	0	297.343	2.660	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1ccc2ccccc2n1	ZINC000591862555	349051736	/nfs/dbraw/zinc/05/17/36/349051736.db2.gz	VSZMYTZZARYDPA-LLVKDONJSA-N	-1	0	263.256	2.713	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2NCCCCC(=O)[O-]	ZINC000591326847	349010086	/nfs/dbraw/zinc/01/00/86/349010086.db2.gz	ZZMGTIOSPKTEBW-UHFFFAOYSA-N	-1	0	283.331	2.504	20	30		CFEDRM
N#Cc1ccsc1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000591531214	349029236	/nfs/dbraw/zinc/02/92/36/349029236.db2.gz	JNMFHFPLSWGTSB-UHFFFAOYSA-N	-1	0	278.333	2.593	20	30		CFEDRM
N#Cc1cccc(Cl)c1NCC1(C(=O)[O-])CCOCC1	ZINC000592418888	349117578	/nfs/dbraw/zinc/11/75/78/349117578.db2.gz	CSVWJKCQUCBPMI-UHFFFAOYSA-N	-1	0	294.738	2.505	20	30		CFEDRM
CC(C)(C#N)c1ccc(CN=c2[n-]nc(C(F)F)o2)cc1	ZINC000593945199	349337856	/nfs/dbraw/zinc/33/78/56/349337856.db2.gz	RUXUWNCLSBOWLN-UHFFFAOYSA-N	-1	0	292.289	2.842	20	30		CFEDRM
Cc1c(C#N)c(=NC(=O)c2cccc(C(C)(C)C)c2)[n-]n1C	ZINC000594052950	349364936	/nfs/dbraw/zinc/36/49/36/349364936.db2.gz	JYTAGVVIAMNROR-UHFFFAOYSA-N	-1	0	296.374	2.572	20	30		CFEDRM
CC1=CC[C@@](C)(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000598735160	350323360	/nfs/dbraw/zinc/32/33/60/350323360.db2.gz	QJTUCCSQISUTJU-MRXNPFEDSA-N	-1	0	284.363	2.656	20	30		CFEDRM
C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CC[C@H]1C(=O)[O-]	ZINC000600798410	350614235	/nfs/dbraw/zinc/61/42/35/350614235.db2.gz	BMSFCMYGRPTKHW-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1CCC#N	ZINC000601949476	350816138	/nfs/dbraw/zinc/81/61/38/350816138.db2.gz	PZXBDPBVNUJMTR-GFCCVEGCSA-N	-1	0	286.722	2.854	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(C#N)ccc1C	ZINC000601984049	350823044	/nfs/dbraw/zinc/82/30/44/350823044.db2.gz	IBLGQBWPLOMKCL-OAHLLOKOSA-N	-1	0	274.320	2.696	20	30		CFEDRM
C[C@@H](C#N)Cn1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000601935163	350807799	/nfs/dbraw/zinc/80/77/99/350807799.db2.gz	QFSMPZXMJSBFNY-QMMMGPOBSA-N	-1	0	279.702	2.575	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)C(C)(C)CCC(=O)[O-])c1	ZINC000601986796	350823989	/nfs/dbraw/zinc/82/39/89/350823989.db2.gz	DMTJQNJZRUPRAT-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C	ZINC000601938701	350810468	/nfs/dbraw/zinc/81/04/68/350810468.db2.gz	IMXOMBOJVMJSGP-SSDOTTSWSA-N	-1	0	281.237	2.936	20	30		CFEDRM
Cc1[n-]n(CCCc2ccccc2)c(=O)c1CCC#N	ZINC000601938714	350810513	/nfs/dbraw/zinc/81/05/13/350810513.db2.gz	ISKCUNPVUHRECZ-OAHLLOKOSA-N	-1	0	269.348	2.757	20	30		CFEDRM
CCCCc1cc(=O)n(Cc2ccc(C#N)cc2)[n-]1	ZINC000601944458	350812620	/nfs/dbraw/zinc/81/26/20/350812620.db2.gz	HDFFUCYYGUYVSH-UHFFFAOYSA-N	-1	0	255.321	2.837	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1CCC#N	ZINC000603923431	351192039	/nfs/dbraw/zinc/19/20/39/351192039.db2.gz	IXKYGMKEZGTPNS-CYBMUJFWSA-N	-1	0	255.321	2.946	20	30		CFEDRM
C[C@@H](Nc1ncccc1C(=O)[O-])c1ccc(C#N)cc1	ZINC000603627564	351176487	/nfs/dbraw/zinc/17/64/87/351176487.db2.gz	HPAAWPSSZBTNBA-SNVBAGLBSA-N	-1	0	267.288	2.825	20	30		CFEDRM
CCSCC[C@@H](C)N(C)C(=O)c1cc(O)cc(C#N)c1	ZINC000614370563	352086329	/nfs/dbraw/zinc/08/63/29/352086329.db2.gz	HYMSIEUBMZQHGT-LLVKDONJSA-N	-1	0	292.404	2.868	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)c1	ZINC000614370159	352086358	/nfs/dbraw/zinc/08/63/58/352086358.db2.gz	VCLZUSQXRKQKTQ-HOTGVXAUSA-N	-1	0	284.359	2.962	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1	ZINC000614370158	352086374	/nfs/dbraw/zinc/08/63/74/352086374.db2.gz	VCLZUSQXRKQKTQ-CVEARBPZSA-N	-1	0	284.359	2.962	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H](C)c2ccncc2)s1	ZINC000619948857	353085678	/nfs/dbraw/zinc/08/56/78/353085678.db2.gz	QABBJZINRRRHFO-VIFPVBQESA-N	-1	0	278.406	2.806	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])c1ccccc1	ZINC000156318534	188255023	/nfs/dbraw/zinc/25/50/23/188255023.db2.gz	ZEKPHDDFUNRALB-UHFFFAOYSA-N	-1	0	273.332	2.873	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCCC[C@H]1C(=O)[O-]	ZINC000621568527	353379498	/nfs/dbraw/zinc/37/94/98/353379498.db2.gz	YPEBHHYMOGTHQB-ZDUSSCGKSA-N	-1	0	265.353	2.611	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000621599194	353383409	/nfs/dbraw/zinc/38/34/09/353383409.db2.gz	PKLAFSNLNSEMKT-OLZOCXBDSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(CC(C)C)[n-]s2)CCC1	ZINC000622163305	353488840	/nfs/dbraw/zinc/48/88/40/353488840.db2.gz	QMYYSTARGHFXCC-UHFFFAOYSA-N	-1	0	279.409	2.843	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1	ZINC000626360433	354256154	/nfs/dbraw/zinc/25/61/54/354256154.db2.gz	RPKAWJNOFOIWOF-JTQLQIEISA-N	-1	0	294.424	2.687	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C1	ZINC000630234561	355031535	/nfs/dbraw/zinc/03/15/35/355031535.db2.gz	NIMBLNFGBSQNAC-LBPRGKRZSA-N	-1	0	273.332	2.731	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F	ZINC000630254801	355033981	/nfs/dbraw/zinc/03/39/81/355033981.db2.gz	AEXORWCIVKXDOW-UHFFFAOYSA-N	-1	0	299.273	2.933	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000630183209	355024403	/nfs/dbraw/zinc/02/44/03/355024403.db2.gz	TVRGXJJVMHHKMV-CYBMUJFWSA-N	-1	0	279.311	2.537	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc(C)c(C(=O)[O-])o1	ZINC000630214348	355028849	/nfs/dbraw/zinc/02/88/49/355028849.db2.gz	NOSTXDRJDAFTRM-UHFFFAOYSA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCSc1ccccc1)C(=O)[O-]	ZINC000630317824	355049494	/nfs/dbraw/zinc/04/94/94/355049494.db2.gz	BCKQMNGIEWTSSD-ZDUSSCGKSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000630318178	355049610	/nfs/dbraw/zinc/04/96/10/355049610.db2.gz	FHUOHRIJRUBLGQ-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000630319735	355049951	/nfs/dbraw/zinc/04/99/51/355049951.db2.gz	GXKQAWIPVLULQH-JQWIXIFHSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000630318987	355050007	/nfs/dbraw/zinc/05/00/07/355050007.db2.gz	PNMKQEPUJIROJM-AWEZNQCLSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CSc1ccc(C)cc1)C(=O)[O-]	ZINC000630319113	355050064	/nfs/dbraw/zinc/05/00/64/355050064.db2.gz	SBBXLXUQQZFTDC-ZDUSSCGKSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000630319762	355050080	/nfs/dbraw/zinc/05/00/80/355050080.db2.gz	HJAORJZMNSGZSZ-GFCCVEGCSA-N	-1	0	299.729	2.937	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000630319734	355050209	/nfs/dbraw/zinc/05/02/09/355050209.db2.gz	GXKQAWIPVLULQH-CMPLNLGQSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CCC)C(C)C)C(=O)[O-]	ZINC000630320525	355050873	/nfs/dbraw/zinc/05/08/73/355050873.db2.gz	YTEJYCHCVNIWFI-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000630325046	355052357	/nfs/dbraw/zinc/05/23/57/355052357.db2.gz	GQWXJBFPYWGDEX-GJZGRUSLSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000630331992	355053953	/nfs/dbraw/zinc/05/39/53/355053953.db2.gz	UBCOVILZIFBNKX-UHFFFAOYSA-N	-1	0	277.320	2.671	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000630549095	355108857	/nfs/dbraw/zinc/10/88/57/355108857.db2.gz	ALJBSINXQDLEDY-SNVBAGLBSA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCC[C@@H](C(=O)[N-]OCC(C)(C)O)c1ccccc1	ZINC000299120345	200613876	/nfs/dbraw/zinc/61/38/76/200613876.db2.gz	WVDMCPARXZDUKJ-CQSZACIVSA-N	-1	0	277.364	2.555	20	30		CFEDRM
C=CCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000167124447	540968050	/nfs/dbraw/zinc/96/80/50/540968050.db2.gz	WNQINBFPNDQQER-GFCCVEGCSA-N	-1	0	259.305	2.558	20	30		CFEDRM
C=CCC1(NC(=O)NCCCCC(=O)[O-])CCCCC1	ZINC000666557411	541109074	/nfs/dbraw/zinc/10/90/74/541109074.db2.gz	HRPPOBHLGOLUKZ-UHFFFAOYSA-N	-1	0	282.384	2.820	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000666564075	541110177	/nfs/dbraw/zinc/11/01/77/541110177.db2.gz	RYGZNYZTOZANBQ-AWEZNQCLSA-N	-1	0	288.347	2.635	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000037827707	260657619	/nfs/dbraw/zinc/65/76/19/260657619.db2.gz	DTSCQXIEVZTTHR-NXEZZACHSA-N	-1	0	299.779	2.637	20	30		CFEDRM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000016099566	372100094	/nfs/dbraw/zinc/10/00/94/372100094.db2.gz	UJFNCLLVCBXEEI-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(C#N)c(Cl)c2)C1	ZINC000263130107	297343846	/nfs/dbraw/zinc/34/38/46/297343846.db2.gz	FWHAPYPWGPBSAY-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@@H](CN(C)c1ccc(C(F)(F)F)cc1C#N)C(=O)[O-]	ZINC000042704320	372948249	/nfs/dbraw/zinc/94/82/49/372948249.db2.gz	NHJNKVXAXWIPRF-QMMMGPOBSA-N	-1	0	286.253	2.734	20	30		CFEDRM
Cc1cc(C)c(C#N)c(N2CCC[C@H](CCC(=O)[O-])C2)n1	ZINC000043584963	372993591	/nfs/dbraw/zinc/99/35/91/372993591.db2.gz	AYDICKBTSGIWOQ-CYBMUJFWSA-N	-1	0	287.363	2.651	20	30		CFEDRM
Cc1c2cccc(Cl)c2oc1C(=O)[N-]S(C)(=O)=O	ZINC000048479253	373188536	/nfs/dbraw/zinc/18/85/36/373188536.db2.gz	XOMCBMRDIBMKLJ-UHFFFAOYSA-N	-1	0	287.724	2.659	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)C1CCC1	ZINC000048519697	373194627	/nfs/dbraw/zinc/19/46/27/373194627.db2.gz	XJKPHZPAJZQLNU-UHFFFAOYSA-N	-1	0	279.361	2.621	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1ccsc1	ZINC000049513401	373306194	/nfs/dbraw/zinc/30/61/94/373306194.db2.gz	KHZFWSMAOZDVOY-UHFFFAOYSA-N	-1	0	273.379	2.715	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)[C@@H]1CC=CCC1	ZINC000049502267	373306235	/nfs/dbraw/zinc/30/62/35/373306235.db2.gz	WDMMAMZXCKKHRP-LLVKDONJSA-N	-1	0	271.382	2.962	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514075	373306751	/nfs/dbraw/zinc/30/67/51/373306751.db2.gz	OEKLSRIQMQUWTM-UHFFFAOYSA-N	-1	0	285.365	2.803	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)CC1CCCCC1	ZINC000049514198	373306951	/nfs/dbraw/zinc/30/69/51/373306951.db2.gz	ZSCNWXXAIALPEA-UHFFFAOYSA-N	-1	0	285.365	2.803	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(C#N)cc1F	ZINC000050196177	373363949	/nfs/dbraw/zinc/36/39/49/373363949.db2.gz	QMMXFAKSAWJIJQ-UHFFFAOYSA-N	-1	0	250.273	2.753	20	30		CFEDRM
C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000054334843	373521027	/nfs/dbraw/zinc/52/10/27/373521027.db2.gz	PVQCLMYMHPJDRG-ZETCQYMHSA-N	-1	0	272.226	2.710	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000097261718	375546379	/nfs/dbraw/zinc/54/63/79/375546379.db2.gz	JSFXDGDDAYLTKL-NSHDSACASA-N	-1	0	279.299	2.965	20	30		CFEDRM
N#Cc1cccc(NCCCCCC(=O)[O-])c1[N+](=O)[O-]	ZINC000125757757	377190089	/nfs/dbraw/zinc/19/00/89/377190089.db2.gz	KRPXOQINLCPRHH-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
CC(C)C[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000125796506	377194960	/nfs/dbraw/zinc/19/49/60/377194960.db2.gz	SWNCRWMKHNGIQK-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000334223849	378947345	/nfs/dbraw/zinc/94/73/45/378947345.db2.gz	ACXUAQYHYFZZKD-UHFFFAOYSA-N	-1	0	290.344	2.823	20	30		CFEDRM
O=C1OCCN1CCC/N=C/c1c(O)ccc2ccccc21	ZINC000170839443	379174009	/nfs/dbraw/zinc/17/40/09/379174009.db2.gz	NTRJHYNHKRSITG-LDADJPATSA-N	-1	0	298.342	2.807	20	30		CFEDRM
CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccco2)cc1	ZINC000334373808	379182372	/nfs/dbraw/zinc/18/23/72/379182372.db2.gz	CNJIJNOEIHGUKR-UHFFFAOYSA-N	-1	0	290.344	2.882	20	30		CFEDRM
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccsc1	ZINC000335731770	379797769	/nfs/dbraw/zinc/79/77/69/379797769.db2.gz	FUIYARONZSWBRL-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cn1cc(C#N)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000335741013	379813740	/nfs/dbraw/zinc/81/37/40/379813740.db2.gz	VSPUNQUIBHJZEL-UHFFFAOYSA-N	-1	0	293.685	2.647	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CSc1n[n-]c(=S)s1	ZINC000174977964	379973059	/nfs/dbraw/zinc/97/30/59/379973059.db2.gz	VYXRQLXYYZARLQ-UHFFFAOYSA-N	-1	0	289.451	2.717	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000335907273	380086741	/nfs/dbraw/zinc/08/67/41/380086741.db2.gz	UFYQDBIMJCQKSQ-QMMMGPOBSA-N	-1	0	285.265	2.990	20	30		CFEDRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000335988716	380202403	/nfs/dbraw/zinc/20/24/03/380202403.db2.gz	BQNHTNIXAAFYGY-UHFFFAOYSA-N	-1	0	294.357	2.674	20	30		CFEDRM
N#Cc1ccc(N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000347218736	381009133	/nfs/dbraw/zinc/00/91/33/381009133.db2.gz	AUTXJMFLLHJDBA-OAHLLOKOSA-N	-1	0	266.300	2.666	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000347234830	381020541	/nfs/dbraw/zinc/02/05/41/381020541.db2.gz	NIPZDXVWTWLJAF-HNNXBMFYSA-N	-1	0	284.290	2.805	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000347234832	381021036	/nfs/dbraw/zinc/02/10/36/381021036.db2.gz	NIPZDXVWTWLJAF-OAHLLOKOSA-N	-1	0	284.290	2.805	20	30		CFEDRM
CCNc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1[O-]	ZINC000354078254	381065074	/nfs/dbraw/zinc/06/50/74/381065074.db2.gz	PIRXFPWMINKYGL-UHFFFAOYSA-N	-1	0	296.330	2.651	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ncc(C)cc2[O-])c1	ZINC000358727511	381037904	/nfs/dbraw/zinc/03/79/04/381037904.db2.gz	XXFNNLBXVDKMPN-UHFFFAOYSA-N	-1	0	284.315	2.913	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)cc(C)[nH]c2=O)n1	ZINC000354216584	381146826	/nfs/dbraw/zinc/14/68/26/381146826.db2.gz	DIGYWEWNDDPXIM-SNVBAGLBSA-N	-1	0	287.344	2.659	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3o2)o1	ZINC000183516623	381281077	/nfs/dbraw/zinc/28/10/77/381281077.db2.gz	TVWWITKQTAHZCW-JTQLQIEISA-N	-1	0	281.271	2.923	20	30		CFEDRM
CC(C)c1ccoc1C([O-])=C(C#N)c1ccncn1	ZINC000342464520	381345713	/nfs/dbraw/zinc/34/57/13/381345713.db2.gz	RGKAANVCALNQMU-NSHDSACASA-N	-1	0	255.277	2.683	20	30		CFEDRM
CC(C)n1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1	ZINC000355634193	381789732	/nfs/dbraw/zinc/78/97/32/381789732.db2.gz	BJUOBRJWWVJDJT-NSHDSACASA-N	-1	0	293.330	2.830	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nccc2ccccc21	ZINC000361531845	381839482	/nfs/dbraw/zinc/83/94/82/381839482.db2.gz	UNLOQBNNAVEWKR-CQSZACIVSA-N	-1	0	290.326	2.767	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N(C)CCC(=O)[O-]	ZINC000417791843	382068836	/nfs/dbraw/zinc/06/88/36/382068836.db2.gz	JTYCRCFIAOUJLA-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
C/C=C\c1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000357336869	382115695	/nfs/dbraw/zinc/11/56/95/382115695.db2.gz	WKYJGDWYPRIKCP-IHWYPQMZSA-N	-1	0	299.355	2.787	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc(C(=O)[O-])cc1	ZINC000352027448	382137105	/nfs/dbraw/zinc/13/71/05/382137105.db2.gz	PDLVQXAMKWGCQZ-YVMONPNESA-N	-1	0	250.257	2.822	20	30		CFEDRM
CCOC(=O)c1coc(=N[C@@H](CCC#N)c2ccccc2)[n-]1	ZINC000418886717	382186288	/nfs/dbraw/zinc/18/62/88/382186288.db2.gz	LLZHTMUBRCNRKW-ZDUSSCGKSA-N	-1	0	299.330	2.730	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1	ZINC000345872450	382320245	/nfs/dbraw/zinc/32/02/45/382320245.db2.gz	MXJAMHQLYVUSRH-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1	ZINC000188208190	382367128	/nfs/dbraw/zinc/36/71/28/382367128.db2.gz	CNNIXWCHHARUIC-UHFFFAOYSA-N	-1	0	252.273	2.540	20	30		CFEDRM
C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188495325	382424990	/nfs/dbraw/zinc/42/49/90/382424990.db2.gz	LIKADSWWGWOMSI-JTQLQIEISA-N	-1	0	296.330	2.684	20	30		CFEDRM
CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188612529	382442330	/nfs/dbraw/zinc/44/23/30/382442330.db2.gz	NXDRVRKYLMUUJL-GXTWGEPZSA-N	-1	0	290.388	2.668	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000316431670	382530578	/nfs/dbraw/zinc/53/05/78/382530578.db2.gz	JKGOAIKUNWIOJO-UPJWGTAASA-N	-1	0	282.384	2.531	20	30		CFEDRM
N#CC(=C([O-])c1cncc(F)c1)c1cnc2ccccc2n1	ZINC000190991663	382687627	/nfs/dbraw/zinc/68/76/27/382687627.db2.gz	KLSUWOCPLNROCV-LBPRGKRZSA-N	-1	0	292.273	2.654	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2ccc(F)cc2[O-])nn1	ZINC000191320717	382698497	/nfs/dbraw/zinc/69/84/97/382698497.db2.gz	KPOZNDVWDPWYBP-FNORWQNLSA-N	-1	0	289.310	2.774	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CCC(=O)[O-])CC(C)C	ZINC000192854605	382712929	/nfs/dbraw/zinc/71/29/29/382712929.db2.gz	JNSSIQJETBKBBT-LBPRGKRZSA-N	-1	0	255.358	2.548	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1C#N	ZINC000577054066	382845976	/nfs/dbraw/zinc/84/59/76/382845976.db2.gz	WRFJBCBORSFCME-ZIAGYGMSSA-N	-1	0	294.358	2.534	20	30		CFEDRM
CCc1csc(NC(=O)c2ccc(C#N)c([O-])c2)n1	ZINC000442648873	382941726	/nfs/dbraw/zinc/94/17/26/382941726.db2.gz	MZESEAGBAIFJLY-UHFFFAOYSA-N	-1	0	273.317	2.535	20	30		CFEDRM
Cc1cc(C)nc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000442668346	382943305	/nfs/dbraw/zinc/94/33/05/382943305.db2.gz	DLQYOXCIKIHHPZ-UHFFFAOYSA-N	-1	0	267.288	2.528	20	30		CFEDRM
N#Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c(F)c1	ZINC000448113141	383044973	/nfs/dbraw/zinc/04/49/73/383044973.db2.gz	ITPRLSMNKUBDCE-HYXAFXHYSA-N	-1	0	293.257	2.833	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000449004372	383126920	/nfs/dbraw/zinc/12/69/20/383126920.db2.gz	QQBWUKIADNGOEI-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000449001935	383126996	/nfs/dbraw/zinc/12/69/96/383126996.db2.gz	LSCDSZWIWCCXBD-GXTWGEPZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1N=c1[n-]c(-c2ccc(C)cc2)no1	ZINC000583303587	383088752	/nfs/dbraw/zinc/08/87/52/383088752.db2.gz	FWIUCRAMCUSMCJ-KGLIPLIRSA-N	-1	0	285.347	2.612	20	30		CFEDRM
CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(O)c(C#N)c2)n1	ZINC000584421737	383101493	/nfs/dbraw/zinc/10/14/93/383101493.db2.gz	BSLJQSJEZVWOQK-UHFFFAOYSA-N	-1	0	285.303	2.581	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ns1	ZINC000565156435	383176433	/nfs/dbraw/zinc/17/64/33/383176433.db2.gz	ZRLGYWLTVDUIPH-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
C=CCCCCCN=c1[n-]c([C@@H](C)OC)ns1	ZINC000566482713	383188224	/nfs/dbraw/zinc/18/82/24/383188224.db2.gz	INLCADBWGPNCFY-SNVBAGLBSA-N	-1	0	255.387	2.826	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cc(C#N)ccc3n2)C1	ZINC000518959737	383210240	/nfs/dbraw/zinc/21/02/40/383210240.db2.gz	JDJFRZSQHDDBQK-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=C(C)Cn1c(C2CC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000515934115	383161228	/nfs/dbraw/zinc/16/12/28/383161228.db2.gz	DLDPADJONBMWMY-UHFFFAOYSA-N	-1	0	284.363	2.906	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634899843	383397771	/nfs/dbraw/zinc/39/77/71/383397771.db2.gz	WUGYQAAHZFZRPB-IINYFYTJSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634907130	383398968	/nfs/dbraw/zinc/39/89/68/383398968.db2.gz	GDIUKMYBFOJWRF-AWEZNQCLSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)[C@H](C)COC	ZINC000634929338	383408230	/nfs/dbraw/zinc/40/82/30/383408230.db2.gz	JEDKIIJZZNKRSZ-CJNGLKHVSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634933498	383410640	/nfs/dbraw/zinc/41/06/40/383410640.db2.gz	ZTZRCGNBPJUHCV-VXGBXAGGSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000634939949	383412923	/nfs/dbraw/zinc/41/29/23/383412923.db2.gz	SLOWSNZCYANHJS-CABCVRRESA-N	-1	0	285.343	2.873	20	30		CFEDRM
C=CCCCNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634833159	383372949	/nfs/dbraw/zinc/37/29/49/383372949.db2.gz	WJNVKCQDDHFTRU-CQSZACIVSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])CCCC1	ZINC000634840295	383375901	/nfs/dbraw/zinc/37/59/01/383375901.db2.gz	HTSJOQSLIVXODQ-CHWSQXEVSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000634848006	383379599	/nfs/dbraw/zinc/37/95/99/383379599.db2.gz	SXLJQHWFJWMEIM-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cc(C(C)(C)C)on1	ZINC000427781073	383417305	/nfs/dbraw/zinc/41/73/05/383417305.db2.gz	ATYCGNRZLXAXGY-UHFFFAOYSA-N	-1	0	272.370	2.680	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000634947103	383417387	/nfs/dbraw/zinc/41/73/87/383417387.db2.gz	HTWYVYYWXFEXMR-NWDGAFQWSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000635529911	383578668	/nfs/dbraw/zinc/57/86/68/383578668.db2.gz	JNJFAMRSFPLKAL-UHFFFAOYSA-N	-1	0	296.411	2.875	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000635529997	383578733	/nfs/dbraw/zinc/57/87/33/383578733.db2.gz	NDVANVZLOPKIJZ-ZDUSSCGKSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000430527351	383594887	/nfs/dbraw/zinc/59/48/87/383594887.db2.gz	UUQXGFBBDZXZPZ-LBPRGKRZSA-N	-1	0	269.304	2.739	20	30		CFEDRM
C=CCC[C@H](NC(=O)CSc1ccc(C)cc1)C(=O)[O-]	ZINC000262865493	383641410	/nfs/dbraw/zinc/64/14/10/383641410.db2.gz	JDQXSHIWIOXQBH-ZDUSSCGKSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1c(C)[nH]c2ccccc21)C(=O)[O-]	ZINC000262846373	383642030	/nfs/dbraw/zinc/64/20/30/383642030.db2.gz	HJVPPQKGPZJJHX-CYBMUJFWSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(Cl)ccc2C#N)C1	ZINC000263137754	383655323	/nfs/dbraw/zinc/65/53/23/383655323.db2.gz	GLSHPQDVBMUKND-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000572767331	383814502	/nfs/dbraw/zinc/81/45/02/383814502.db2.gz	BMGUPTMQPCTALV-UHFFFAOYSA-N	-1	0	278.308	2.990	20	30		CFEDRM
N#CCCCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000573217490	383893568	/nfs/dbraw/zinc/89/35/68/383893568.db2.gz	HSAMVVTYBBXYCD-UHFFFAOYSA-N	-1	0	286.253	2.835	20	30		CFEDRM
C=CCC1(CNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000646162571	383903811	/nfs/dbraw/zinc/90/38/11/383903811.db2.gz	CTQNASWOUDQGMF-OLZOCXBDSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F	ZINC000644635768	384970410	/nfs/dbraw/zinc/97/04/10/384970410.db2.gz	YRMNOKOEFLOUPU-SECBINFHSA-N	-1	0	287.347	2.849	20	30		CFEDRM
C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000271220089	385377828	/nfs/dbraw/zinc/37/78/28/385377828.db2.gz	OTBZZQSKLCUBBM-DUZNOGIESA-N	-1	0	298.726	2.940	20	30		CFEDRM
CO[C@@H]1[C@@H](C)[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000271779648	385391719	/nfs/dbraw/zinc/39/17/19/385391719.db2.gz	GQWSYKQBXGZSFH-BLUXICTBSA-N	-1	0	292.335	2.779	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)OCC	ZINC000275155430	385947259	/nfs/dbraw/zinc/94/72/59/385947259.db2.gz	SVHVAYWLFAMLRL-CYBMUJFWSA-N	-1	0	294.307	2.610	20	30		CFEDRM
C=CCC1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCC1	ZINC000682889874	542607026	/nfs/dbraw/zinc/60/70/26/542607026.db2.gz	LJGBFOZPKXCLGC-UHFFFAOYSA-N	-1	0	299.330	2.715	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000237412570	131028367	/nfs/dbraw/zinc/02/83/67/131028367.db2.gz	PQFLVMPUNNCUJV-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCC(=O)N(CCCC(=O)[O-])Cc1ccccc1	ZINC000237933236	131066836	/nfs/dbraw/zinc/06/68/36/131066836.db2.gz	SWXKEUKTOGEIPA-UHFFFAOYSA-N	-1	0	275.348	2.846	20	30		CFEDRM
C=CCOCCCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262051980	131187702	/nfs/dbraw/zinc/18/77/02/131187702.db2.gz	FSMCBJNTQSBPAI-KGLIPLIRSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C	ZINC000262525841	131229503	/nfs/dbraw/zinc/22/95/03/131229503.db2.gz	OQDBEFPXONJHDQ-LBPRGKRZSA-N	-1	0	291.347	2.921	20	30		CFEDRM
C=C[C@@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1	ZINC000262836440	131266252	/nfs/dbraw/zinc/26/62/52/131266252.db2.gz	BTPPKYPCEJDNRW-ZFWWWQNUSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000262972199	131277060	/nfs/dbraw/zinc/27/70/60/131277060.db2.gz	SRWXWXWIABIVQM-BXUZGUMPSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000263466093	131293836	/nfs/dbraw/zinc/29/38/36/131293836.db2.gz	QXIVRZTUTDMROT-DZGCQCFKSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CCC1(C(=O)NCCc2cccc(C(=O)[O-])c2)CCC1	ZINC000263543318	131297120	/nfs/dbraw/zinc/29/71/20/131297120.db2.gz	RYLZFPRWZZKNPY-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000193266551	393648071	/nfs/dbraw/zinc/64/80/71/393648071.db2.gz	AQLGVYOSQXOHOJ-LLVKDONJSA-N	-1	0	294.314	2.668	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H]2CCOC(C)(C)C2)s1	ZINC000412973848	393776865	/nfs/dbraw/zinc/77/68/65/393776865.db2.gz	AZFXCHDFPHNNCR-VIFPVBQESA-N	-1	0	285.438	2.608	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cocn2)s1	ZINC000684676628	542844381	/nfs/dbraw/zinc/84/43/81/542844381.db2.gz	YCNBBJCSUXBEOK-MRVPVSSYSA-N	-1	0	275.333	2.919	20	30		CFEDRM
C#CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1	ZINC000491668637	394055861	/nfs/dbraw/zinc/05/58/61/394055861.db2.gz	KAYWIWLIVVILEY-UHFFFAOYSA-N	-1	0	283.249	2.649	20	30		CFEDRM
CC(C)c1scnc1C([O-])=C(C#N)c1ccncn1	ZINC000355192783	394060444	/nfs/dbraw/zinc/06/04/44/394060444.db2.gz	UWWORTVNQXHGEO-VIFPVBQESA-N	-1	0	272.333	2.547	20	30		CFEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000355240060	394061270	/nfs/dbraw/zinc/06/12/70/394061270.db2.gz	OKKKHTIDRVFNJB-VIFPVBQESA-N	-1	0	297.343	2.521	20	30		CFEDRM
C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)c1cccc(Cl)c1	ZINC000438954549	394089340	/nfs/dbraw/zinc/08/93/40/394089340.db2.gz	AQKHITKPAOZREE-MRVPVSSYSA-N	-1	0	299.721	2.549	20	30		CFEDRM
C=C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000289929330	394224933	/nfs/dbraw/zinc/22/49/33/394224933.db2.gz	VLDLITXNMUQZGT-HTQZYQBOSA-N	-1	0	276.163	2.897	20	30		CFEDRM
N#CCCCCNC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000174624538	394379206	/nfs/dbraw/zinc/37/92/06/394379206.db2.gz	XNGGVOFJPZIZBM-UHFFFAOYSA-N	-1	0	275.333	2.540	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1	ZINC000647379027	395320387	/nfs/dbraw/zinc/32/03/87/395320387.db2.gz	WHHQEELNWJEEQJ-NSHDSACASA-N	-1	0	298.371	2.917	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1nc(C2CC2)cs1	ZINC000647379495	395320558	/nfs/dbraw/zinc/32/05/58/395320558.db2.gz	NPHOFSJDDCILSZ-QMMMGPOBSA-N	-1	0	275.358	2.967	20	30		CFEDRM
C=C[C@H]1CCCCN1c1ncc(C(=O)[O-])cc1Cl	ZINC000647454002	395337963	/nfs/dbraw/zinc/33/79/63/395337963.db2.gz	ACWGWCJZTRKCJR-JTQLQIEISA-N	-1	0	266.728	2.978	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccn1C	ZINC000194894636	543095850	/nfs/dbraw/zinc/09/58/50/543095850.db2.gz	FEMQYWBFORLNSV-GFCCVEGCSA-N	-1	0	279.299	2.965	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000653474077	413314140	/nfs/dbraw/zinc/31/41/40/413314140.db2.gz	YNCFTZHYBGRVAL-QWHCGFSZSA-N	-1	0	265.353	2.516	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C#Cc1ccccc1	ZINC000019505163	170817416	/nfs/dbraw/zinc/81/74/16/170817416.db2.gz	XLTPZTABCIMMGT-UHFFFAOYSA-N	-1	0	279.295	2.683	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000035185704	172039948	/nfs/dbraw/zinc/03/99/48/172039948.db2.gz	VVOOOTMUGTVJPQ-UHFFFAOYSA-N	-1	0	271.297	2.680	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)cc1C#N	ZINC000036978461	172845497	/nfs/dbraw/zinc/84/54/97/172845497.db2.gz	BVVNGZQJFNLDNG-ZETCQYMHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
N#Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(F)c1	ZINC000037561835	173272157	/nfs/dbraw/zinc/27/21/57/173272157.db2.gz	DIBWUOQTRSNSRO-UHFFFAOYSA-N	-1	0	262.284	2.753	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665309016	414275880	/nfs/dbraw/zinc/27/58/80/414275880.db2.gz	KAQOBRYUQBKWEZ-YPMHNXCESA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCCC(=O)[O-]	ZINC000659166736	414459588	/nfs/dbraw/zinc/45/95/88/414459588.db2.gz	RJBPAFPBXCPLPF-OLZOCXBDSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1(C(=O)[O-])CCC1	ZINC000659166985	414459685	/nfs/dbraw/zinc/45/96/85/414459685.db2.gz	ZVSLQIGSKVRXJH-CHWSQXEVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000659166776	414459904	/nfs/dbraw/zinc/45/99/04/414459904.db2.gz	SNMIZMXUNOREFM-DGCLKSJQSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)C(=O)[O-]	ZINC000659166903	414460163	/nfs/dbraw/zinc/46/01/63/414460163.db2.gz	XKJCKFFELRDLLN-NWDGAFQWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)Cc2cccc(C(=O)[O-])c2)C1	ZINC000659170570	414461886	/nfs/dbraw/zinc/46/18/86/414461886.db2.gz	ZHUAYGDAVZRRJL-ZDUSSCGKSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccccc1	ZINC000659216299	414471120	/nfs/dbraw/zinc/47/11/20/414471120.db2.gz	OKTPSLZMGVZKFI-MLGOLLRUSA-N	-1	0	293.338	2.665	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccccc1	ZINC000659216301	414472024	/nfs/dbraw/zinc/47/20/24/414472024.db2.gz	OKTPSLZMGVZKFI-WBMJQRKESA-N	-1	0	293.338	2.665	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000659244090	414477275	/nfs/dbraw/zinc/47/72/75/414477275.db2.gz	BOYQJCUHFJYAMY-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000659244219	414477486	/nfs/dbraw/zinc/47/74/86/414477486.db2.gz	ZBOIBMFWBUIUNT-UHFFFAOYSA-N	-1	0	276.336	2.563	20	30		CFEDRM
C=CCCCCCNC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000656246340	414550588	/nfs/dbraw/zinc/55/05/88/414550588.db2.gz	IENFJKMBXVXHNB-UHFFFAOYSA-N	-1	0	275.348	2.790	20	30		CFEDRM
C=CCOCCCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000656487149	414590456	/nfs/dbraw/zinc/59/04/56/414590456.db2.gz	XWUONZCJRCRXPJ-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
C=CCOCCCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000656486240	414590566	/nfs/dbraw/zinc/59/05/66/414590566.db2.gz	MJGVMPGHZSKNEW-UHFFFAOYSA-N	-1	0	297.395	2.511	20	30		CFEDRM
C=CCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000656486658	414590796	/nfs/dbraw/zinc/59/07/96/414590796.db2.gz	LOZZTJVVIAQTIB-HNNXBMFYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCC1(CNC(=O)N[C@@H](CC)C(=O)[O-])CCCC1	ZINC000656589102	414611186	/nfs/dbraw/zinc/61/11/86/414611186.db2.gz	YOJGUWWETRYSRD-LBPRGKRZSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000040547218	174325267	/nfs/dbraw/zinc/32/52/67/174325267.db2.gz	KMOWWJSCIUZIOA-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
CC[C@@H](C(=O)[O-])N(C)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000044619496	175218806	/nfs/dbraw/zinc/21/88/06/175218806.db2.gz	SRELKPHGXJSWFK-NSHDSACASA-N	-1	0	286.253	2.876	20	30		CFEDRM
N#Cc1cncc(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1	ZINC001243153316	782021286	/nfs/dbraw/zinc/02/12/86/782021286.db2.gz	NBTBJCVCVFTGEH-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000334643095	225233993	/nfs/dbraw/zinc/23/39/93/225233993.db2.gz	CSZKOXRWQJATDG-JVXZTZIISA-N	-1	0	250.685	2.534	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)o1	ZINC000346237295	225732472	/nfs/dbraw/zinc/73/24/72/225732472.db2.gz	IEPWORDJAFRVJV-NSHDSACASA-N	-1	0	292.298	2.725	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1ccccc1CC#N	ZINC000336076383	228184983	/nfs/dbraw/zinc/18/49/83/228184983.db2.gz	ZYCVMMJLHBAUNV-UHFFFAOYSA-N	-1	0	292.385	2.923	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncnc3[nH]cc(C#N)c32)c1	ZINC001243175580	782035966	/nfs/dbraw/zinc/03/59/66/782035966.db2.gz	PJVMPSJLNNPVGA-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ns1	ZINC000447610728	260079690	/nfs/dbraw/zinc/07/96/90/260079690.db2.gz	IPHMXSWNWWSAGY-VIFPVBQESA-N	-1	0	297.343	2.521	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C)C1	ZINC000076910461	260166645	/nfs/dbraw/zinc/16/66/45/260166645.db2.gz	KVMDOARJWSAXSC-WDEREUQCSA-N	-1	0	261.387	2.755	20	30		CFEDRM
O=C(Cc1cccs1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513459	260662035	/nfs/dbraw/zinc/66/20/35/260662035.db2.gz	FTVIMQPHZAUOKQ-UHFFFAOYSA-N	-1	0	287.406	2.910	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1cccs1	ZINC000049513590	260662221	/nfs/dbraw/zinc/66/22/21/260662221.db2.gz	AGUQOWYRPRWRMI-UHFFFAOYSA-N	-1	0	273.379	2.715	20	30		CFEDRM
Cc1nnc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])s1	ZINC000273483888	263017194	/nfs/dbraw/zinc/01/71/94/263017194.db2.gz	JKWCIRCGSJZYDP-NRLRWNIESA-N	-1	0	292.320	2.640	20	30		CFEDRM
C#CC(C)(C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O	ZINC000279334210	263054809	/nfs/dbraw/zinc/05/48/09/263054809.db2.gz	UGNIHFDCPZLYMT-UHFFFAOYSA-N	-1	0	263.312	2.578	20	30		CFEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000282897556	263079334	/nfs/dbraw/zinc/07/93/34/263079334.db2.gz	ANXLTIIKFTYXDQ-MADCSZMMSA-N	-1	0	299.783	2.704	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000285711227	263095114	/nfs/dbraw/zinc/09/51/14/263095114.db2.gz	DVPFAGIBFJLZER-LBPRGKRZSA-N	-1	0	297.698	2.832	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)c([O-])c1	ZINC000287180463	263101255	/nfs/dbraw/zinc/10/12/55/263101255.db2.gz	KDXOFUHDSVSLEV-FNORWQNLSA-N	-1	0	271.320	2.769	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnc3ccncc32)n1	ZINC000340363650	263119085	/nfs/dbraw/zinc/11/90/85/263119085.db2.gz	KCDKRZRKFGYDQI-LLVKDONJSA-N	-1	0	294.339	2.885	20	30		CFEDRM
Cc1cc(Cl)cc(NC(=O)CCCC#N)c1O	ZINC000291770311	263125315	/nfs/dbraw/zinc/12/53/15/263125315.db2.gz	VSDVKZRPZAYAMW-UHFFFAOYSA-N	-1	0	252.701	2.986	20	30		CFEDRM
N#CCCCC(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000291996059	263127086	/nfs/dbraw/zinc/12/70/86/263127086.db2.gz	WLEXFJHKIXUGGG-UHFFFAOYSA-N	-1	0	261.306	2.749	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000297313136	263202931	/nfs/dbraw/zinc/20/29/31/263202931.db2.gz	BYRFHPIWGWRWFC-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
O=C(N[C@@H]1CC=CCC1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000330785264	264053352	/nfs/dbraw/zinc/05/33/52/264053352.db2.gz	TWKBJSJQGFRFPY-SNVBAGLBSA-N	-1	0	262.265	2.714	20	30		CFEDRM
CCC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCOCC1	ZINC000331221149	264166613	/nfs/dbraw/zinc/16/66/13/264166613.db2.gz	AQFOHQQCOBGPDT-UHFFFAOYSA-N	-1	0	294.307	2.564	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000191041765	264460797	/nfs/dbraw/zinc/46/07/97/264460797.db2.gz	IKIBOXFMUAIPNH-DYVFJYSZSA-N	-1	0	287.359	2.670	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F	ZINC000334900067	265079296	/nfs/dbraw/zinc/07/92/96/265079296.db2.gz	VYSJXQSTBRDTSN-ZETCQYMHSA-N	-1	0	294.710	2.662	20	30		CFEDRM
COc1cnc(-c2cc(C)cc(C(=O)[O-])c2)c(C#N)c1	ZINC001243179384	782039674	/nfs/dbraw/zinc/03/96/74/782039674.db2.gz	ZJLFKUHAXALMQR-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(CC#N)cnc2F)c1	ZINC001243180088	782041057	/nfs/dbraw/zinc/04/10/57/782041057.db2.gz	CPITVLIEJPFGRS-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
COCCc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000190883942	280892912	/nfs/dbraw/zinc/89/29/12/280892912.db2.gz	GCMNRSXWAYUKPW-UHFFFAOYSA-N	-1	0	296.326	2.705	20	30		CFEDRM
Cc1ccc(-c2ccc(OCC#N)cn2)cc1C(=O)[O-]	ZINC001243195477	782056611	/nfs/dbraw/zinc/05/66/11/782056611.db2.gz	SQHGZSXUDJAVNS-UHFFFAOYSA-N	-1	0	268.272	2.658	20	30		CFEDRM
Cc1ccc(-c2cc(C#N)c(C)cn2)cc1C(=O)[O-]	ZINC001243196286	782057834	/nfs/dbraw/zinc/05/78/34/782057834.db2.gz	VMISKTGPBFKMBX-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1cc(-c2ccc(C(=O)[O-])cc2C)ncc1C#N	ZINC001243200567	782060508	/nfs/dbraw/zinc/06/05/08/782060508.db2.gz	BJSJWEDJXDKJCM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1nccc(F)c1C#N	ZINC001243200692	782061109	/nfs/dbraw/zinc/06/11/09/782061109.db2.gz	NKVJUTLGLRPQDH-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1ccc(C(=O)[O-])cc1C	ZINC001243202539	782063270	/nfs/dbraw/zinc/06/32/70/782063270.db2.gz	BMYKMWZTGVJPGX-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000062933446	297883185	/nfs/dbraw/zinc/88/31/85/297883185.db2.gz	MYDSMFTXANJQTI-CYBMUJFWSA-N	-1	0	298.264	2.878	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cncc(F)c1C#N	ZINC001243204622	782065404	/nfs/dbraw/zinc/06/54/04/782065404.db2.gz	RTIQISJQKXQTGN-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cc(-c2ccc(C#N)c(C)n2)ccc1C(=O)[O-]	ZINC001243213354	782074000	/nfs/dbraw/zinc/07/40/00/782074000.db2.gz	ZUHPWAOVNHXTOS-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCSC2)c1	ZINC000267269988	328176727	/nfs/dbraw/zinc/17/67/27/328176727.db2.gz	DXFPTQSQHBEJAO-SRMXYGTFSA-N	-1	0	266.322	2.615	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCc2ccccc2)CC12CCCC2	ZINC000294585291	328281925	/nfs/dbraw/zinc/28/19/25/328281925.db2.gz	YEYTTYRLLAVFTC-INIZCTEOSA-N	-1	0	270.332	2.708	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(F)c1	ZINC000188234425	324010941	/nfs/dbraw/zinc/01/09/41/324010941.db2.gz	WAWNXMJOOWEXQU-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000191442350	328509725	/nfs/dbraw/zinc/50/97/25/328509725.db2.gz	OASDXWQTCZAREY-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C[C@@H]1C[C@@H](CC(=O)[N-]S(C)(=O)=O)CC(C)(C)C1	ZINC000067600062	326789502	/nfs/dbraw/zinc/78/95/02/326789502.db2.gz	GRPPBELDCHOOAW-ZJUUUORDSA-N	-1	0	261.387	2.755	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000263554245	327080141	/nfs/dbraw/zinc/08/01/41/327080141.db2.gz	YAECFXRDGQJUHQ-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000577458614	327261133	/nfs/dbraw/zinc/26/11/33/327261133.db2.gz	UVKBVZUZGYTPMM-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(CCC)[C@H](C)C(=O)[O-]	ZINC000562647687	327502231	/nfs/dbraw/zinc/50/22/31/327502231.db2.gz	HGJCORISWHJSCJ-VXGBXAGGSA-N	-1	0	270.373	2.626	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2ccsc21	ZINC000335664500	327515739	/nfs/dbraw/zinc/51/57/39/327515739.db2.gz	SVVDDDGAMDILIU-SNVBAGLBSA-N	-1	0	280.374	2.945	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000393749191	329089217	/nfs/dbraw/zinc/08/92/17/329089217.db2.gz	SKIBHEPGWISBIJ-GFCCVEGCSA-N	-1	0	282.384	2.818	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)c1cc(C(=O)[O-])co1	ZINC000183774031	329250223	/nfs/dbraw/zinc/25/02/23/329250223.db2.gz	USCOBDPYEBKIOR-UHFFFAOYSA-N	-1	0	299.326	2.849	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cc(Br)ccc1O	ZINC000226515136	329260435	/nfs/dbraw/zinc/26/04/35/329260435.db2.gz	YHLDXYKIQNNISI-UHFFFAOYSA-N	-1	0	284.153	2.803	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000398211933	329439467	/nfs/dbraw/zinc/43/94/67/329439467.db2.gz	JYWBXOIYPNEATG-WOPDTQHZSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000398211929	329439523	/nfs/dbraw/zinc/43/95/23/329439523.db2.gz	JYWBXOIYPNEATG-SRVKXCTJSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000398228934	329440334	/nfs/dbraw/zinc/44/03/34/329440334.db2.gz	RKLFJZIGTXKEMR-GFCCVEGCSA-N	-1	0	282.384	2.818	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)CC1(C(=O)[O-])CCC1	ZINC000262510229	330018792	/nfs/dbraw/zinc/01/87/92/330018792.db2.gz	LZZLULPPTNBLGQ-UHFFFAOYSA-N	-1	0	287.359	2.846	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)c1ccc(F)cc1)C(=O)[O-]	ZINC000262803740	330032752	/nfs/dbraw/zinc/03/27/52/330032752.db2.gz	CVPCKABRBATAOO-KGLIPLIRSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sccc1SC)C(=O)[O-]	ZINC000262857387	330035615	/nfs/dbraw/zinc/03/56/15/330035615.db2.gz	IJAFTUGJHJGPGX-QMMMGPOBSA-N	-1	0	285.390	2.619	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000262898621	330036266	/nfs/dbraw/zinc/03/62/66/330036266.db2.gz	MAXSVHOUQIPJGR-TZMCWYRMSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000262906939	330036686	/nfs/dbraw/zinc/03/66/86/330036686.db2.gz	MUNWKDDTUKITBT-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)C(=O)[O-]	ZINC000262938196	330037433	/nfs/dbraw/zinc/03/74/33/330037433.db2.gz	PPZGPALWNHOPPU-SRVKXCTJSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=CCCC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1	ZINC000262948467	330037515	/nfs/dbraw/zinc/03/75/15/330037515.db2.gz	HWZQQBBPBCCWLZ-MRXNPFEDSA-N	-1	0	275.348	2.501	20	30		CFEDRM
C#CCN(C(=O)C1CCC(C(=O)[O-])CC1)C1CCCCC1	ZINC000262968416	330037847	/nfs/dbraw/zinc/03/78/47/330037847.db2.gz	RKACELAQRUMKMC-UHFFFAOYSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)C(=O)[O-]	ZINC000262981348	330037964	/nfs/dbraw/zinc/03/79/64/330037964.db2.gz	UKPDDOUJROJPON-ZDUSSCGKSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000263011571	330038870	/nfs/dbraw/zinc/03/88/70/330038870.db2.gz	XGGFUHXGAUCFRO-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000263024858	330039242	/nfs/dbraw/zinc/03/92/42/330039242.db2.gz	YJASLWYXMFPSIC-ZIAGYGMSSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCOC[C@H](NC(=O)CCCC1CCCCC1)C(=O)[O-]	ZINC000263163792	330046898	/nfs/dbraw/zinc/04/68/98/330046898.db2.gz	YDPPQDVXICHBMH-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000263247703	330050720	/nfs/dbraw/zinc/05/07/20/330050720.db2.gz	DHXHBNOPEZNMJX-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](c1ccccc1)C1CC1)C(=O)[O-]	ZINC000263513048	330058424	/nfs/dbraw/zinc/05/84/24/330058424.db2.gz	CXNDEXDSSVIIOF-GJZGRUSLSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000263527618	330058850	/nfs/dbraw/zinc/05/88/50/330058850.db2.gz	KTYOWJHELMSIQW-GFCCVEGCSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000263554823	330059411	/nfs/dbraw/zinc/05/94/11/330059411.db2.gz	YHUQJXXYWWFUJS-CABZTGNLSA-N	-1	0	297.301	2.604	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1C(F)F	ZINC000424072544	330220157	/nfs/dbraw/zinc/22/01/57/330220157.db2.gz	YNCQPCFYWQVEJM-QMMMGPOBSA-N	-1	0	274.292	2.668	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119736265	330377806	/nfs/dbraw/zinc/37/78/06/330377806.db2.gz	QJUYJDXAXRREMI-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)s1	ZINC000429569522	330549711	/nfs/dbraw/zinc/54/97/11/330549711.db2.gz	MLGIPFXHFAGQBW-SECBINFHSA-N	-1	0	297.343	2.521	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CN=c1[n-]c(-c2ccc(C)cc2)no1	ZINC000435583074	330657899	/nfs/dbraw/zinc/65/78/99/330657899.db2.gz	HVIIHZUWUDYUJQ-CABCVRRESA-N	-1	0	299.374	2.860	20	30		CFEDRM
N#CC1CCC(CN=c2nc(-c3ccccc3)o[n-]2)CC1	ZINC000440671389	330753824	/nfs/dbraw/zinc/75/38/24/330753824.db2.gz	OOZIRJMDEXBOFA-UHFFFAOYSA-N	-1	0	282.347	2.900	20	30		CFEDRM
CCc1ncsc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000442044249	330773534	/nfs/dbraw/zinc/77/35/34/330773534.db2.gz	OJSWYYYIIMHJRG-JTQLQIEISA-N	-1	0	286.360	2.602	20	30		CFEDRM
COc1ccc(-c2noc(=N[C@H]3CC[C@@H](CC#N)C3)[n-]2)cc1	ZINC000450674331	330992709	/nfs/dbraw/zinc/99/27/09/330992709.db2.gz	SEOLUIYUMYZQSA-AAEUAGOBSA-N	-1	0	298.346	2.661	20	30		CFEDRM
C=C(C)COCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000194853011	331065053	/nfs/dbraw/zinc/06/50/53/331065053.db2.gz	XUJLGDLPUGYKPR-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1	ZINC000453573590	331134594	/nfs/dbraw/zinc/13/45/94/331134594.db2.gz	APOKDHJFXNPQIV-CYBMUJFWSA-N	-1	0	280.331	2.541	20	30		CFEDRM
C=C(CC)CNC(=O)N=c1[n-]nc(-c2ccsc2)s1	ZINC000454549253	331148662	/nfs/dbraw/zinc/14/86/62/331148662.db2.gz	KDJIQLSUHIKGOC-UHFFFAOYSA-N	-1	0	294.405	2.776	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000488289840	331997545	/nfs/dbraw/zinc/99/75/45/331997545.db2.gz	GAHIHFREKNPNHJ-SNVBAGLBSA-N	-1	0	294.424	2.830	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F	ZINC000489830294	332069638	/nfs/dbraw/zinc/06/96/38/332069638.db2.gz	KDKFQKQCHQSFAM-ZJUUUORDSA-N	-1	0	287.347	2.849	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2nc(C)c(C)s2)s1	ZINC000491234272	332171678	/nfs/dbraw/zinc/17/16/78/332171678.db2.gz	FUYBRUDNKXOLAC-UHFFFAOYSA-N	-1	0	298.462	2.924	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1cccc(Br)c1[O-]	ZINC000522665818	333295590	/nfs/dbraw/zinc/29/55/90/333295590.db2.gz	XDGIWGDXCZUBLF-MRVPVSSYSA-N	-1	0	284.153	2.849	20	30		CFEDRM
C=CCN(CC=C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000237962213	333382108	/nfs/dbraw/zinc/38/21/08/333382108.db2.gz	HAVZAVXSOSVVLP-JXMROGBWSA-N	-1	0	271.316	2.599	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F	ZINC000541310126	333771377	/nfs/dbraw/zinc/77/13/77/333771377.db2.gz	WMQQFPADSZTWMB-NSHDSACASA-N	-1	0	299.358	2.993	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCc1ccc(CC)s1)C(=O)[O-]	ZINC000316017523	334816092	/nfs/dbraw/zinc/81/60/92/334816092.db2.gz	IVOUAIWOHGRYFF-GFCCVEGCSA-N	-1	0	296.392	2.529	20	30		CFEDRM
C=C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000569105071	334855610	/nfs/dbraw/zinc/85/56/10/334855610.db2.gz	PCNAJQCEHUSXFK-UHFFFAOYSA-N	-1	0	296.710	2.746	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000577458612	335354214	/nfs/dbraw/zinc/35/42/14/335354214.db2.gz	UVKBVZUZGYTPMM-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1	ZINC000384846324	336132767	/nfs/dbraw/zinc/13/27/67/336132767.db2.gz	KCHGDUKDMIAZMK-KRWDZBQOSA-N	-1	0	289.375	2.747	20	30		CFEDRM
N#CCc1nccnc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243322451	782135926	/nfs/dbraw/zinc/13/59/26/782135926.db2.gz	AIQHRPYPXYHYOP-UHFFFAOYSA-N	-1	0	273.679	2.561	20	30		CFEDRM
COc1ncc(-c2cc(Cl)cc(C(=O)[O-])c2)cc1C#N	ZINC001243325254	782139139	/nfs/dbraw/zinc/13/91/39/782139139.db2.gz	LWHXLLLWEDIGIT-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#CCc1ncc(-c2cc(Cl)cc(C(=O)[O-])c2)cn1	ZINC001243325881	782139196	/nfs/dbraw/zinc/13/91/96/782139196.db2.gz	TVTWUQSYYPJSCN-UHFFFAOYSA-N	-1	0	273.679	2.561	20	30		CFEDRM
COC(=O)c1cc(-c2ccc([O-])c(F)c2F)ccc1C#N	ZINC001243341881	782145938	/nfs/dbraw/zinc/14/59/38/782145938.db2.gz	ZJKFHFIJUNRPPZ-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000334643099	533759930	/nfs/dbraw/zinc/75/99/30/533759930.db2.gz	CSZKOXRWQJATDG-KRTXAFLBSA-N	-1	0	250.685	2.534	20	30		CFEDRM
CSc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000352753142	534190368	/nfs/dbraw/zinc/19/03/68/534190368.db2.gz	MCPOMIZHKIIGGI-SNVBAGLBSA-N	-1	0	287.344	2.898	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000050196244	519208192	/nfs/dbraw/zinc/20/81/92/519208192.db2.gz	RCCXUPNIGWRFDN-UHFFFAOYSA-N	-1	0	277.280	2.522	20	30		CFEDRM
C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000262909768	534514450	/nfs/dbraw/zinc/51/44/50/534514450.db2.gz	NCEFLRZDQUAONE-VNHYZAJKSA-N	-1	0	287.359	2.525	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@](C)(CC)C(=O)[O-])c1ccccc1	ZINC000263232395	534516464	/nfs/dbraw/zinc/51/64/64/534516464.db2.gz	CMXTTYAECNOPEF-BLLLJJGKSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1	ZINC000262883464	534619166	/nfs/dbraw/zinc/61/91/66/534619166.db2.gz	BWKGMQJWMLYJHM-CYBMUJFWSA-N	-1	0	297.738	2.557	20	30		CFEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1	ZINC000262883466	534624273	/nfs/dbraw/zinc/62/42/73/534624273.db2.gz	BWKGMQJWMLYJHM-ZDUSSCGKSA-N	-1	0	297.738	2.557	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1ccc(Br)cc1C#N	ZINC000132711823	524395318	/nfs/dbraw/zinc/39/53/18/524395318.db2.gz	WAQILQBXDZNTPZ-ZETCQYMHSA-N	-1	0	283.125	2.596	20	30		CFEDRM
Cc1ccccc1-c1n[n-]c(=NCc2cccc(C#N)c2)o1	ZINC000340552879	525009420	/nfs/dbraw/zinc/00/94/20/525009420.db2.gz	AWXJTHODVXLTQW-UHFFFAOYSA-N	-1	0	290.326	2.951	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000334916855	525868165	/nfs/dbraw/zinc/86/81/65/525868165.db2.gz	AAJSIOLLNQFSTO-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000192874289	526699640	/nfs/dbraw/zinc/69/96/40/526699640.db2.gz	NRAFBNSBXDLJBR-LLVKDONJSA-N	-1	0	261.321	2.603	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1	ZINC000316954238	526700484	/nfs/dbraw/zinc/70/04/84/526700484.db2.gz	IHJHOPMHFDJMCD-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
CC(C)(C)c1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354460971	526855720	/nfs/dbraw/zinc/85/57/20/526855720.db2.gz	AUHLOCJYUMGBQI-VIFPVBQESA-N	-1	0	286.360	2.721	20	30		CFEDRM
COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1C	ZINC000435338971	536873355	/nfs/dbraw/zinc/87/33/55/536873355.db2.gz	MEEMHXRGNKCRPL-XFFZJAGNSA-N	-1	0	295.342	2.828	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@]23CCO[C@@H]2CCCC3)c1	ZINC000935107532	649876292	/nfs/dbraw/zinc/87/62/92/649876292.db2.gz	IFNLRTBISFMFNO-GDBMZVCRSA-N	-1	0	286.331	2.552	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])C1(C)C	ZINC000736430350	574052065	/nfs/dbraw/zinc/05/20/65/574052065.db2.gz	XFOKSHNCHNNXKK-ZDUSSCGKSA-N	-1	0	276.336	2.988	20	30		CFEDRM
N#CCCCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740306715	574055313	/nfs/dbraw/zinc/05/53/13/574055313.db2.gz	KCRXYJTZDZXEEV-UHFFFAOYSA-N	-1	0	287.363	2.901	20	30		CFEDRM
C[C@H](CC#N)Sc1ccccc1NCC(=O)[O-]	ZINC000736544275	574059204	/nfs/dbraw/zinc/05/92/04/574059204.db2.gz	DALUJOHAKNDDRG-SECBINFHSA-N	-1	0	250.323	2.577	20	30		CFEDRM
C[C@@H](CSCCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000736613016	574061728	/nfs/dbraw/zinc/06/17/28/574061728.db2.gz	GPKDLRZYSNSTKT-NSHDSACASA-N	-1	0	279.361	2.781	20	30		CFEDRM
CCC/C=C\C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736975041	574089329	/nfs/dbraw/zinc/08/93/29/574089329.db2.gz	PQWIFJGOJQRUBK-WSNITJDQSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000738490319	574094630	/nfs/dbraw/zinc/09/46/30/574094630.db2.gz	RBGBYOHFDCNJER-AWEZNQCLSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H](CCC)NC(=O)[O-]	ZINC000738492461	574095183	/nfs/dbraw/zinc/09/51/83/574095183.db2.gz	RPWDSXVJGAELOW-LBPRGKRZSA-N	-1	0	296.392	2.699	20	30		CFEDRM
C#C[C@@H](CC)NC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000754389749	574102300	/nfs/dbraw/zinc/10/23/00/574102300.db2.gz	JFWFFNPDMNVMOW-QMMMGPOBSA-N	-1	0	272.131	2.841	20	30		CFEDRM
O=C([O-])N1CCCC[C@H](/N=C/c2cc(Cl)ccc2O)C1	ZINC000740520661	574104389	/nfs/dbraw/zinc/10/43/89/574104389.db2.gz	SUUZQASTGHCEDF-WIJRQFRKSA-N	-1	0	296.754	2.997	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ncccc1Cl	ZINC000740619360	574129717	/nfs/dbraw/zinc/12/97/17/574129717.db2.gz	CVWSMYYOJFUEJQ-QMMMGPOBSA-N	-1	0	282.731	2.571	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@H]2CCO[C@H]21	ZINC000737417002	574139579	/nfs/dbraw/zinc/13/95/79/574139579.db2.gz	VWFFXUGLLVCIMT-DGCLKSJQSA-N	-1	0	274.320	2.598	20	30		CFEDRM
COc1ccc(CCNN=Cc2ccccc2C(=O)[O-])cc1	ZINC000737439817	574141245	/nfs/dbraw/zinc/14/12/45/574141245.db2.gz	JJUHGGZPXXMOFA-UHFFFAOYSA-N	-1	0	298.342	2.560	20	30		CFEDRM
CN(Cc1ccc(Nc2ncccc2C#N)cc1)C(=O)[O-]	ZINC000737485817	574144258	/nfs/dbraw/zinc/14/42/58/574144258.db2.gz	HDGGVVZOTCIDAH-UHFFFAOYSA-N	-1	0	282.303	2.807	20	30		CFEDRM
C=C(Br)CN(CCc1ccccc1)CC(=O)[O-]	ZINC000737495357	574144894	/nfs/dbraw/zinc/14/48/94/574144894.db2.gz	JMDKRZIVKGCBQR-UHFFFAOYSA-N	-1	0	298.180	2.524	20	30		CFEDRM
CN(Cc1cccs1)[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000737494567	574145044	/nfs/dbraw/zinc/14/50/44/574145044.db2.gz	VMBLWEMUCYKJTH-AWEZNQCLSA-N	-1	0	286.356	2.877	20	30		CFEDRM
CC(=O)Nc1ccccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000755471221	574164175	/nfs/dbraw/zinc/16/41/75/574164175.db2.gz	DQUCVBZSOZEXIG-UHFFFAOYSA-N	-1	0	297.314	2.789	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1O	ZINC000738321102	574164463	/nfs/dbraw/zinc/16/44/63/574164463.db2.gz	WNBAPRLSHBRGCY-ZZXKWVIFSA-N	-1	0	272.256	2.888	20	30		CFEDRM
C=CCOC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738490898	574171497	/nfs/dbraw/zinc/17/14/97/574171497.db2.gz	FBTYTECOZXXXLF-UHFFFAOYSA-N	-1	0	255.657	2.773	20	30		CFEDRM
Cc1ccc(NN=Cc2cc(C(=O)[O-])cs2)nc1	ZINC000755689260	574178079	/nfs/dbraw/zinc/17/80/79/574178079.db2.gz	NXBUXYFVTZAQMY-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738693616	574180566	/nfs/dbraw/zinc/18/05/66/574180566.db2.gz	TYQLGHRAWNLBRQ-HNNXBMFYSA-N	-1	0	295.294	2.849	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=COCC2)n1	ZINC000747196026	574186998	/nfs/dbraw/zinc/18/69/98/574186998.db2.gz	FYNOHIILLPTICL-SNVBAGLBSA-N	-1	0	262.334	2.747	20	30		CFEDRM
C[C@@]1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1	ZINC000733080838	574187107	/nfs/dbraw/zinc/18/71/07/574187107.db2.gz	CXCKWWWAVKMFNR-NOAOUHAHSA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)s1	ZINC000738932670	574190604	/nfs/dbraw/zinc/19/06/04/574190604.db2.gz	XCUIWRQKSDRRPW-JTQLQIEISA-N	-1	0	291.357	2.636	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NO[C@H]1CCCCO1	ZINC000755825109	574190967	/nfs/dbraw/zinc/19/09/67/574190967.db2.gz	UCSLRIYKEAIHIG-NSHDSACASA-N	-1	0	255.701	2.923	20	30		CFEDRM
C[C@@H](NN=C1CCC[C@@H]1CNC(=O)[O-])c1ccccc1	ZINC000739040575	574194677	/nfs/dbraw/zinc/19/46/77/574194677.db2.gz	UHYRNQKNGVHIOQ-DGCLKSJQSA-N	-1	0	275.352	2.761	20	30		CFEDRM
N#CCCCCNC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000739069974	574196596	/nfs/dbraw/zinc/19/65/96/574196596.db2.gz	VVQXKASTGZFUFW-UHFFFAOYSA-N	-1	0	276.296	2.592	20	30		CFEDRM
N#Cc1ccc([C@@H](Sc2ccccn2)C(=O)[O-])cc1	ZINC000739118134	574199151	/nfs/dbraw/zinc/19/91/51/574199151.db2.gz	OISCNUKKCHQRLA-CYBMUJFWSA-N	-1	0	270.313	2.871	20	30		CFEDRM
N#Cc1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1	ZINC000739121909	574199530	/nfs/dbraw/zinc/19/95/30/574199530.db2.gz	ZAVPEPFIYJDCTJ-UHFFFAOYSA-N	-1	0	295.294	2.795	20	30		CFEDRM
N#Cc1cccnc1NCCc1ccc(NC(=O)[O-])cc1	ZINC000739143057	574199535	/nfs/dbraw/zinc/19/95/35/574199535.db2.gz	VYFGFASTVXEBQM-UHFFFAOYSA-N	-1	0	282.303	2.698	20	30		CFEDRM
C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1NC(=O)[O-]	ZINC000739189407	574200497	/nfs/dbraw/zinc/20/04/97/574200497.db2.gz	DLBCOKXSJDPRJA-SKDRFNHKSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738595829	574201392	/nfs/dbraw/zinc/20/13/92/574201392.db2.gz	AAFYUDZICIKBBG-QMMMGPOBSA-N	-1	0	294.286	2.539	20	30		CFEDRM
Fc1ccc2c(c1)CCCC2=NNc1[n-]cnc2ncnc1-2	ZINC000747633765	574204307	/nfs/dbraw/zinc/20/43/07/574204307.db2.gz	VOXWJBJEMKCWOC-UHFFFAOYSA-N	-1	0	296.309	2.645	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2ccc(CO)o2)ccc1Cl	ZINC000739399811	574212011	/nfs/dbraw/zinc/21/20/11/574212011.db2.gz	BDIZGRVWFVEKEW-UHFFFAOYSA-N	-1	0	294.694	2.570	20	30		CFEDRM
Cc1cc(C)cc(OCC(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000748002745	574224220	/nfs/dbraw/zinc/22/42/20/574224220.db2.gz	NPANRENZNWQGKZ-UHFFFAOYSA-N	-1	0	296.326	2.898	20	30		CFEDRM
O=C([O-])c1ccc(CN=Cc2cc3ccccc3[nH]c2=O)o1	ZINC000740125837	574237534	/nfs/dbraw/zinc/23/75/34/574237534.db2.gz	PMNRFFCGMVJHMD-IUXPMGMMSA-N	-1	0	296.282	2.851	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3cc(O)ccc3C2=O)o1	ZINC000740123844	574237681	/nfs/dbraw/zinc/23/76/81/574237681.db2.gz	OZBVMCQLVQBTDH-NTMALXAHSA-N	-1	0	284.267	2.896	20	30		CFEDRM
O=C([O-])c1coc(CON=Cc2cccs2)c1	ZINC000740269580	574244923	/nfs/dbraw/zinc/24/49/23/574244923.db2.gz	OIOUPDYTEOZUNO-UHFFFAOYSA-N	-1	0	251.263	2.590	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCCN(C(=O)[O-])C2)cc1	ZINC000740317880	574246435	/nfs/dbraw/zinc/24/64/35/574246435.db2.gz	SYVJOWHVTBBNGD-CYBMUJFWSA-N	-1	0	259.309	2.503	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(NC(=O)[O-])nc2)CCCCC1	ZINC000740310294	574246759	/nfs/dbraw/zinc/24/67/59/574246759.db2.gz	RRABUEKYZHCXNF-UHFFFAOYSA-N	-1	0	288.307	2.584	20	30		CFEDRM
N#Cc1nc(N[C@H]2CCCCN(C(=O)[O-])C2)ccc1Cl	ZINC000740323853	574247154	/nfs/dbraw/zinc/24/71/54/574247154.db2.gz	KZTOAYNBDVBXOO-VIFPVBQESA-N	-1	0	294.742	2.551	20	30		CFEDRM
O=C([O-])N(CCN=Cc1cc2ccccc2[nH]c1=O)C1CC1	ZINC000740490106	574251054	/nfs/dbraw/zinc/25/10/54/574251054.db2.gz	UWBQFSVMOIVDFJ-YVLHZVERSA-N	-1	0	299.330	2.502	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc32)c1	ZINC000748411877	574251515	/nfs/dbraw/zinc/25/15/15/574251515.db2.gz	BFSQFIGTMOZDMI-ZDUSSCGKSA-N	-1	0	264.284	2.542	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cnnc3ccccc32)cc1	ZINC000733748229	574254780	/nfs/dbraw/zinc/25/47/80/574254780.db2.gz	MGGZUYVVMQEFSK-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCCSC	ZINC000756901497	574270720	/nfs/dbraw/zinc/27/07/20/574270720.db2.gz	SDIYCUGEDGVXHU-UHFFFAOYSA-N	-1	0	268.338	2.544	20	30		CFEDRM
CC[C@@H](C)CN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000756905777	574272110	/nfs/dbraw/zinc/27/21/10/574272110.db2.gz	KAQIYFBDZWJDOE-SECBINFHSA-N	-1	0	250.298	2.837	20	30		CFEDRM
CC(=NNCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749605099	574301967	/nfs/dbraw/zinc/30/19/67/574301967.db2.gz	KUJSLPJMCRKSRO-UHFFFAOYSA-N	-1	0	285.303	2.814	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749626655	574303291	/nfs/dbraw/zinc/30/32/91/574303291.db2.gz	TWPOEZHFRFBAIQ-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
COc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)cc1C#N	ZINC000737982757	574305685	/nfs/dbraw/zinc/30/56/85/574305685.db2.gz	OFBSSMYPPDMTNL-DJWKRKHSSA-N	-1	0	280.283	2.830	20	30		CFEDRM
N#Cc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000749858466	574312846	/nfs/dbraw/zinc/31/28/46/574312846.db2.gz	KTKUAMDTPXHHNW-UHFFFAOYSA-N	-1	0	273.242	2.988	20	30		CFEDRM
C=CCNC(=O)Nc1cccc(CSCCC(=O)[O-])c1	ZINC000736105701	574350190	/nfs/dbraw/zinc/35/01/90/574350190.db2.gz	FQNQUZSXBJDDEL-UHFFFAOYSA-N	-1	0	294.376	2.702	20	30		CFEDRM
C=CCCCNc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC000736102513	574350248	/nfs/dbraw/zinc/35/02/48/574350248.db2.gz	MCNQBZXEBDLXKY-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N(CC)c1ccccc1C(=O)[O-]	ZINC000736102611	574350261	/nfs/dbraw/zinc/35/02/61/574350261.db2.gz	RYGWWTXGECHXDM-GFCCVEGCSA-N	-1	0	291.347	2.719	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000736107998	574350339	/nfs/dbraw/zinc/35/03/39/574350339.db2.gz	FXXCFVLLDBVQIT-AWEZNQCLSA-N	-1	0	296.411	2.874	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000736091520	574350683	/nfs/dbraw/zinc/35/06/83/574350683.db2.gz	XPRMEGJPRPLHLS-UHFFFAOYSA-N	-1	0	279.295	2.643	20	30		CFEDRM
C[C@@H](C#N)C(=O)Nc1cc2ccccc2cc1C(=O)[O-]	ZINC000736201956	574354498	/nfs/dbraw/zinc/35/44/98/574354498.db2.gz	LCXPCLDODSCJQH-VIFPVBQESA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000736248225	574356562	/nfs/dbraw/zinc/35/65/62/574356562.db2.gz	HKRRQRGGNUKUOF-OLZOCXBDSA-N	-1	0	294.395	2.666	20	30		CFEDRM
CC(C)(C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736250529	574357004	/nfs/dbraw/zinc/35/70/04/574357004.db2.gz	HAWUPNQDJWMUEW-ZDUSSCGKSA-N	-1	0	275.304	2.663	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=Nn1cnc2ccccc21	ZINC000751134862	574369784	/nfs/dbraw/zinc/36/97/84/574369784.db2.gz	QXYROMAFLCOULS-UHFFFAOYSA-N	-1	0	282.259	2.532	20	30		CFEDRM
O=c1c2ccccc2ncn1N=Cc1cccc(Cl)c1[O-]	ZINC000753160610	574399561	/nfs/dbraw/zinc/39/95/61/574399561.db2.gz	FBNOZNXKDKHNFU-UHFFFAOYSA-N	-1	0	299.717	2.638	20	30		CFEDRM
O=C([O-])Nc1ccc(CN=Nc2c(F)cccc2F)cn1	ZINC000832841294	603488779	/nfs/dbraw/zinc/48/87/79/603488779.db2.gz	VEXXCIOKWARRHX-UHFFFAOYSA-N	-1	0	292.245	2.896	20	30		CFEDRM
N#Cc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1	ZINC000819106501	597316820	/nfs/dbraw/zinc/31/68/20/597316820.db2.gz	VHPSGMDUARZLKH-UHFFFAOYSA-N	-1	0	295.294	2.542	20	30		CFEDRM
O=C([O-])CCNN=Cc1ccccc1OCc1ccccc1	ZINC000821524709	597743964	/nfs/dbraw/zinc/74/39/64/597743964.db2.gz	PUNQNUHUHFLMPU-UHFFFAOYSA-N	-1	0	298.342	2.664	20	30		CFEDRM
Cc1c(Cl)cnc(NC2CCC(C(=O)[O-])CC2)c1C#N	ZINC000263541710	597787903	/nfs/dbraw/zinc/78/79/03/597787903.db2.gz	DFVKZFSWGFHVDA-UHFFFAOYSA-N	-1	0	293.754	2.970	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000820953838	598050354	/nfs/dbraw/zinc/05/03/54/598050354.db2.gz	HKSJAHHBCPPNES-UHFFFAOYSA-N	-1	0	298.273	2.956	20	30		CFEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Cl	ZINC000820113880	598222342	/nfs/dbraw/zinc/22/23/42/598222342.db2.gz	HWNNRGKCPJSKAX-OTYXRUKQSA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1cc(OC(=O)[C@](C)(C#N)CC(=O)[O-])cc(C)c1Cl	ZINC000821046182	598224189	/nfs/dbraw/zinc/22/41/89/598224189.db2.gz	XSXHSAUPBYCWKB-AWEZNQCLSA-N	-1	0	295.722	2.867	20	30		CFEDRM
CC(C)CC1(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000819976807	598230001	/nfs/dbraw/zinc/23/00/01/598230001.db2.gz	GBVLUJVKZWPYDH-OAHLLOKOSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F	ZINC000054399900	599809586	/nfs/dbraw/zinc/80/95/86/599809586.db2.gz	PTEQKYOOUDIBBN-UHFFFAOYSA-N	-1	0	255.220	2.568	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000238132076	599833396	/nfs/dbraw/zinc/83/33/96/599833396.db2.gz	HSOODMLUMLXJCV-UHFFFAOYSA-N	-1	0	295.294	2.649	20	30		CFEDRM
N#CCCCCN1CCCc2c(C(=O)[O-])cccc21	ZINC000037595873	599847524	/nfs/dbraw/zinc/84/75/24/599847524.db2.gz	WUOXMTPNRDISNM-UHFFFAOYSA-N	-1	0	258.321	2.831	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2ccccc2F)c1	ZINC000740161962	599907509	/nfs/dbraw/zinc/90/75/09/599907509.db2.gz	WBEFNHMHGSJOEP-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
N#Cc1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1	ZINC000058011997	600081781	/nfs/dbraw/zinc/08/17/81/600081781.db2.gz	MLUNMVJBXFPQMH-UHFFFAOYSA-N	-1	0	278.311	2.772	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1	ZINC000706484877	600354270	/nfs/dbraw/zinc/35/42/70/600354270.db2.gz	AKWLLACGHNMGRP-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
N#Cc1c(F)cccc1NCc1ccc(C(=O)[O-])o1	ZINC000071380678	600502715	/nfs/dbraw/zinc/50/27/15/600502715.db2.gz	GFYOPDRNKLDZGR-UHFFFAOYSA-N	-1	0	260.224	2.601	20	30		CFEDRM
CCCCCCCCCn1nc(C(=O)[O-])ccc1=O	ZINC000229614269	600519514	/nfs/dbraw/zinc/51/95/14/600519514.db2.gz	OVZZAARWWSXIRZ-UHFFFAOYSA-N	-1	0	266.341	2.692	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1ccc(C#N)cc1F	ZINC000090097171	600584812	/nfs/dbraw/zinc/58/48/12/600584812.db2.gz	GOKBGYKKHXZWLT-QMMMGPOBSA-N	-1	0	253.298	2.794	20	30		CFEDRM
CCCCCCCC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000059211610	600611018	/nfs/dbraw/zinc/61/10/18/600611018.db2.gz	QYHLGLLMVZHCQD-CQSZACIVSA-N	-1	0	255.358	2.716	20	30		CFEDRM
N#Cc1cc(N2CCC(CC(=O)[O-])CC2)c2ccccc2n1	ZINC000833069681	600811301	/nfs/dbraw/zinc/81/13/01/600811301.db2.gz	LDOQBKNLRAZMCM-UHFFFAOYSA-N	-1	0	295.342	2.798	20	30		CFEDRM
CCCC[C@@H](Sc1cc(C#N)ccn1)C(=O)[O-]	ZINC000232992704	600936931	/nfs/dbraw/zinc/93/69/31/600936931.db2.gz	OJQZIXMKKTUNFD-SNVBAGLBSA-N	-1	0	250.323	2.689	20	30		CFEDRM
C=CCOCCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000825698882	600941108	/nfs/dbraw/zinc/94/11/08/600941108.db2.gz	ORHZNXLEXRCIQN-UHFFFAOYSA-N	-1	0	298.722	2.926	20	30		CFEDRM
CCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000829210096	601109178	/nfs/dbraw/zinc/10/91/78/601109178.db2.gz	ZKSIUIJZJXNAFK-GWCFXTLKSA-N	-1	0	275.304	2.663	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3ccc(F)cc3C2=O)o1	ZINC000833312106	601201324	/nfs/dbraw/zinc/20/13/24/601201324.db2.gz	JLLCBVRKBXUSDQ-RMKNXTFCSA-N	-1	0	272.231	2.939	20	30		CFEDRM
O=C([O-])c1occc1/C=C1\Cc2ccc(F)cc2C1=O	ZINC000833354650	601201420	/nfs/dbraw/zinc/20/14/20/601201420.db2.gz	AQMOOCJJSPYXDZ-UXBLZVDNSA-N	-1	0	272.231	2.939	20	30		CFEDRM
C[C@H](CC(=O)[O-])Sc1ccc(Cl)c(C#N)n1	ZINC000827385424	601251798	/nfs/dbraw/zinc/25/17/98/601251798.db2.gz	KIRXLYNHXWRION-ZCFIWIBFSA-N	-1	0	256.714	2.562	20	30		CFEDRM
O=C([O-])CCc1ccc(NC(=O)C#Cc2ccccc2)cc1	ZINC000317378038	601282388	/nfs/dbraw/zinc/28/23/88/601282388.db2.gz	IADCSXVJHZQALS-UHFFFAOYSA-N	-1	0	293.322	2.694	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])o1)C2	ZINC000832486920	601294180	/nfs/dbraw/zinc/29/41/80/601294180.db2.gz	DXIUKBIGGMUOSN-JXMROGBWSA-N	-1	0	284.267	2.809	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3c(cccc3F)C2=O)[nH]1	ZINC000833312357	601331835	/nfs/dbraw/zinc/33/18/35/601331835.db2.gz	OGSFLQKSGWJKBV-SOFGYWHQSA-N	-1	0	271.247	2.674	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CC2	ZINC000832487262	601332614	/nfs/dbraw/zinc/33/26/14/601332614.db2.gz	UVOOCXYIMQEBNQ-DHZHZOJOSA-N	-1	0	297.310	2.934	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2cccc(C(F)(F)F)n2)[nH]1	ZINC000749814721	601336870	/nfs/dbraw/zinc/33/68/70/601336870.db2.gz	QXZLBBXVYUYXSO-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(=O)[O-])c1	ZINC000833074720	601355870	/nfs/dbraw/zinc/35/58/70/601355870.db2.gz	DUAPODDDBZJSRK-YJNKXOJESA-N	-1	0	299.326	2.663	20	30		CFEDRM
Cc1cc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)o1	ZINC000832872181	601355893	/nfs/dbraw/zinc/35/58/93/601355893.db2.gz	KRCHVSDTUFYRKN-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
CCCCC[C@H](/N=C/c1cc(OC)ccc1O)C(=O)[O-]	ZINC000829312167	601365326	/nfs/dbraw/zinc/36/53/26/601365326.db2.gz	SSQAJJXJQCDYRN-RKPNYOAGSA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCN(CCC#N)CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000829697685	601377054	/nfs/dbraw/zinc/37/70/54/601377054.db2.gz	XNQICFFNWUZQIP-UHFFFAOYSA-N	-1	0	296.754	2.653	20	30		CFEDRM
N#Cc1c(F)cccc1NCC1(C(=O)[O-])CCCC1	ZINC000137837705	601378833	/nfs/dbraw/zinc/37/88/33/601378833.db2.gz	CSEOLBGKMDUJCF-UHFFFAOYSA-N	-1	0	262.284	2.754	20	30		CFEDRM
CN(C)c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000830635897	601445115	/nfs/dbraw/zinc/44/51/15/601445115.db2.gz	UHZJGEVTBIHXMG-UXBLZVDNSA-N	-1	0	284.315	2.675	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000829692144	601479530	/nfs/dbraw/zinc/47/95/30/601479530.db2.gz	ATZPFOBBWVSICC-UHFFFAOYSA-N	-1	0	290.323	2.568	20	30		CFEDRM
CC[C@H](/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000828901371	601498733	/nfs/dbraw/zinc/49/87/33/601498733.db2.gz	RXHHKLHLEHYPLJ-WFSQQTBHSA-N	-1	0	257.289	2.828	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000833078731	601528189	/nfs/dbraw/zinc/52/81/89/601528189.db2.gz	PFDDDHLHIIDYFC-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000827213243	601620983	/nfs/dbraw/zinc/62/09/83/601620983.db2.gz	LYUNYJQWZRIHPI-SNVBAGLBSA-N	-1	0	290.323	2.567	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000827212152	601623067	/nfs/dbraw/zinc/62/30/67/601623067.db2.gz	BQPSJPGRCCGDOM-QMMMGPOBSA-N	-1	0	294.286	2.681	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000158846596	601757147	/nfs/dbraw/zinc/75/71/47/601757147.db2.gz	CIRJACOIHIWYLH-SSDOTTSWSA-N	-1	0	268.700	2.734	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c[nH]1	ZINC000833092530	601791474	/nfs/dbraw/zinc/79/14/74/601791474.db2.gz	HWXWGCKSMJFGFL-LZCJLJQNSA-N	-1	0	286.243	2.517	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/CCc3ccccc3C2=O)c[nH]1	ZINC000833297664	601791559	/nfs/dbraw/zinc/79/15/59/601791559.db2.gz	IIVBRGFWFHIKGB-GHXNOFRVSA-N	-1	0	267.284	2.925	20	30		CFEDRM
CN(C)c1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830634884	601791861	/nfs/dbraw/zinc/79/18/61/601791861.db2.gz	DRYQTYKMSGEUSZ-FPYGCLRLSA-N	-1	0	284.315	2.675	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cccc(F)c2[O-])[C@H]1C#N	ZINC000935662734	649927293	/nfs/dbraw/zinc/92/72/93/649927293.db2.gz	JFQVWZBZBACWKN-LBPRGKRZSA-N	-1	0	276.311	2.686	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccc3ccccc3n2)c[nH]1	ZINC000814697600	601795722	/nfs/dbraw/zinc/79/57/22/601795722.db2.gz	VCKMDKIBRJHBNA-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
Cc1ccc(O)c(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832952708	601826123	/nfs/dbraw/zinc/82/61/23/601826123.db2.gz	ACLCERJIZKLADK-DAXSKMNVSA-N	-1	0	271.272	2.623	20	30		CFEDRM
O=C([O-])c1cccc(C/N=C/c2ccccc2O)c1	ZINC000833328729	601845446	/nfs/dbraw/zinc/84/54/46/601845446.db2.gz	FZWVSUHSAKEPOD-MHWRWJLKSA-N	-1	0	255.273	2.710	20	30		CFEDRM
N#Cc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1F	ZINC000819095686	601966249	/nfs/dbraw/zinc/96/62/49/601966249.db2.gz	HKWASFFRXFFYDI-UHFFFAOYSA-N	-1	0	284.290	2.937	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1	ZINC000828156363	602028103	/nfs/dbraw/zinc/02/81/03/602028103.db2.gz	IZTIBUQXXKWEDF-UHFFFAOYSA-N	-1	0	286.331	2.582	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1	ZINC000828156330	602039082	/nfs/dbraw/zinc/03/90/82/602039082.db2.gz	HQWKTBJELGQJHH-UHFFFAOYSA-N	-1	0	292.722	2.917	20	30		CFEDRM
CCN(C(=O)[C@H](C)CC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1	ZINC000829590847	602119953	/nfs/dbraw/zinc/11/99/53/602119953.db2.gz	HHJHWLRATSDDDJ-NEPJUHHUSA-N	-1	0	288.347	2.579	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000229755572	602205547	/nfs/dbraw/zinc/20/55/47/602205547.db2.gz	MFRCIMLQUIJXKK-UHFFFAOYSA-N	-1	0	288.347	2.629	20	30		CFEDRM
C[C@H](CN(Cc1ccccc1)c1ccc(C#N)cn1)C(=O)[O-]	ZINC000827456475	602237306	/nfs/dbraw/zinc/23/73/06/602237306.db2.gz	XFLITFRZCDLOEL-CYBMUJFWSA-N	-1	0	295.342	2.681	20	30		CFEDRM
COc1cc(F)cc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000759212799	602312141	/nfs/dbraw/zinc/31/21/41/602312141.db2.gz	OEPADENTHSIXFK-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
Cc1cc(Br)ccc1N=NC1CN(C(=O)[O-])C1	ZINC000740049432	602642843	/nfs/dbraw/zinc/64/28/43/602642843.db2.gz	PYVQQUJHVMWYLQ-UHFFFAOYSA-N	-1	0	298.140	2.519	20	30		CFEDRM
Cc1cc(C)c(C#N)c(N[C@@H]2CCCCN(C(=O)[O-])C2)n1	ZINC000740064559	602814108	/nfs/dbraw/zinc/81/41/08/602814108.db2.gz	VJJYTDUBOCQAOC-GFCCVEGCSA-N	-1	0	288.351	2.515	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(NC(=O)C2(C#N)CCC2)cc1	ZINC000825418830	603180758	/nfs/dbraw/zinc/18/07/58/603180758.db2.gz	YBFYEBRZXNXSKO-JTQLQIEISA-N	-1	0	287.319	2.648	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@@H]1CCCCN(C(=O)[O-])C1	ZINC000831118451	603190317	/nfs/dbraw/zinc/19/03/17/603190317.db2.gz	ZJQVCZDKBBCWSC-GFCCVEGCSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000831118420	603197798	/nfs/dbraw/zinc/19/77/98/603197798.db2.gz	YMLTUHGLCZKIJF-GWCFXTLKSA-N	-1	0	291.326	2.936	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCC[C@H]2CNC(=O)[O-])c(F)c1	ZINC000831136942	603199641	/nfs/dbraw/zinc/19/96/41/603199641.db2.gz	MFNBYFAUJGFMLL-AAEUAGOBSA-N	-1	0	291.326	2.936	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1	ZINC000831122467	603482828	/nfs/dbraw/zinc/48/28/28/603482828.db2.gz	IJPMJIVAJBUAKC-UHFFFAOYSA-N	-1	0	282.255	2.867	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(F)ccc1C)C(=O)[O-]	ZINC000900321977	620661758	/nfs/dbraw/zinc/66/17/58/620661758.db2.gz	BTBQNHQYZOHZKA-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
N#Cc1csc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1	ZINC000831162222	603729678	/nfs/dbraw/zinc/72/96/78/603729678.db2.gz	YJPAPIYSISCJJJ-UHFFFAOYSA-N	-1	0	288.284	2.929	20	30		CFEDRM
C#CCN(C(=O)c1ccc(NC(=O)[O-])cc1)C1CCCC1	ZINC000823451654	603759434	/nfs/dbraw/zinc/75/94/34/603759434.db2.gz	ZHYRYRVUYVCXGN-UHFFFAOYSA-N	-1	0	286.331	2.795	20	30		CFEDRM
C[C@@H](CN(C)C(=O)[O-])c1noc(C2(C#N)CCCCC2)n1	ZINC000824902917	603770027	/nfs/dbraw/zinc/77/00/27/603770027.db2.gz	RIWBHECHUHPFTF-JTQLQIEISA-N	-1	0	292.339	2.508	20	30		CFEDRM
O=C([O-])N1CCC(C=NOCc2ccccc2)CC1	ZINC000831869061	603858783	/nfs/dbraw/zinc/85/87/83/603858783.db2.gz	HOWQCXYTWVEOAA-UHFFFAOYSA-N	-1	0	262.309	2.579	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2cccc(F)c2F)CC1	ZINC000831869695	603861378	/nfs/dbraw/zinc/86/13/78/603861378.db2.gz	RYVZATFYAXCJIS-UHFFFAOYSA-N	-1	0	283.278	2.753	20	30		CFEDRM
C=C1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1	ZINC000823486491	603947347	/nfs/dbraw/zinc/94/73/47/603947347.db2.gz	XKMUDDNYUKFEEJ-KGLIPLIRSA-N	-1	0	294.395	2.772	20	30		CFEDRM
C=CCCCC(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2	ZINC000823497229	604006730	/nfs/dbraw/zinc/00/67/30/604006730.db2.gz	ZKUVJGYFOBTKRD-UHFFFAOYSA-N	-1	0	292.291	2.800	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])s1	ZINC000831123053	604245236	/nfs/dbraw/zinc/24/52/36/604245236.db2.gz	ZOJMZJUPQFFVOK-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C[C@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)cn2)cc1	ZINC000825403379	604347778	/nfs/dbraw/zinc/34/77/78/604347778.db2.gz	WKXLAGXSTJDKQS-NSHDSACASA-N	-1	0	296.330	2.894	20	30		CFEDRM
C=CCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-]	ZINC000825664801	604380657	/nfs/dbraw/zinc/38/06/57/604380657.db2.gz	LXUCXNQNIIJSDM-AWEZNQCLSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C#Cc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cn1	ZINC000825636869	604580516	/nfs/dbraw/zinc/58/05/16/604580516.db2.gz	VNXHRZFWPWYZDJ-SNVBAGLBSA-N	-1	0	299.282	2.581	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1cccc(C(=O)[O-])c1)OCC	ZINC000833368389	604603997	/nfs/dbraw/zinc/60/39/97/604603997.db2.gz	GSCPSYVTIYLXDI-ZDUSSCGKSA-N	-1	0	278.304	2.662	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])s1)OCC	ZINC000833367432	604606533	/nfs/dbraw/zinc/60/65/33/604606533.db2.gz	LGVLTLCASWQSNK-SECBINFHSA-N	-1	0	283.349	2.756	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1C(=O)[O-])OCC	ZINC000833367026	604614047	/nfs/dbraw/zinc/61/40/47/604614047.db2.gz	GYBKZRGGIHUAMA-CYBMUJFWSA-N	-1	0	295.310	2.834	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cnn3ccccc23)cc1	ZINC000833309908	604628318	/nfs/dbraw/zinc/62/83/18/604628318.db2.gz	IRSHIPBXHNAZJA-HJWRWDBZSA-N	-1	0	292.294	2.929	20	30		CFEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000831856452	604629587	/nfs/dbraw/zinc/62/95/87/604629587.db2.gz	HNFZKQGCNYITED-KTKRTIGZSA-N	-1	0	298.294	2.995	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cncs2)cc1	ZINC000833309956	604630332	/nfs/dbraw/zinc/63/03/32/604630332.db2.gz	JURSRQMXQKLBRV-WAYWQWQTSA-N	-1	0	259.286	2.737	20	30		CFEDRM
Cc1ccsc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371002	604668430	/nfs/dbraw/zinc/66/84/30/604668430.db2.gz	XLXVJZIBWMJFCF-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C=CCOc1ccccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763377459	604669171	/nfs/dbraw/zinc/66/91/71/604669171.db2.gz	PAMMDTLWPNVBTI-UHFFFAOYSA-N	-1	0	297.314	2.791	20	30		CFEDRM
C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC000833527398	604709795	/nfs/dbraw/zinc/70/97/95/604709795.db2.gz	ZFIDNZJYSVALSV-SNVBAGLBSA-N	-1	0	267.288	2.825	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(C)cc(C)c1	ZINC000042344244	620677247	/nfs/dbraw/zinc/67/72/47/620677247.db2.gz	YBMKQSJUYBJZII-UHFFFAOYSA-N	-1	0	269.366	2.738	20	30		CFEDRM
N#Cc1ccc(/C=C(\C(=O)[O-])c2ccncc2)c(F)c1	ZINC000833072173	604772310	/nfs/dbraw/zinc/77/23/10/604772310.db2.gz	LBCINHQZAHAOGN-JYRVWZFOSA-N	-1	0	268.247	2.718	20	30		CFEDRM
C#CCOc1cc(F)ccc1NCc1ccc(C(=O)[O-])o1	ZINC000833366223	604774821	/nfs/dbraw/zinc/77/48/21/604774821.db2.gz	MHPADYPSUPNRQA-UHFFFAOYSA-N	-1	0	289.262	2.741	20	30		CFEDRM
C#CCOc1ccc(F)cc1NCc1ccoc1C(=O)[O-]	ZINC000833366962	604774892	/nfs/dbraw/zinc/77/48/92/604774892.db2.gz	MUDGQNDJQIHTNV-UHFFFAOYSA-N	-1	0	289.262	2.741	20	30		CFEDRM
C=C[C@H](CC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000833371310	604778256	/nfs/dbraw/zinc/77/82/56/604778256.db2.gz	NCEFLRZDQUAONE-GUTXKFCHSA-N	-1	0	287.359	2.525	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000832910447	604817295	/nfs/dbraw/zinc/81/72/95/604817295.db2.gz	KPCDQVJJXPRNQA-UHFFFAOYSA-N	-1	0	298.273	2.956	20	30		CFEDRM
N#Cc1c(Cl)nsc1NCCCCCC(=O)[O-]	ZINC000819090821	604821001	/nfs/dbraw/zinc/82/10/01/604821001.db2.gz	DWTGVJYZPDZQCM-UHFFFAOYSA-N	-1	0	273.745	2.725	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)OCC#Cc2ccc(F)cc2)cc1	ZINC000833311916	604859438	/nfs/dbraw/zinc/85/94/38/604859438.db2.gz	IENKFWYGZYZMOW-UHFFFAOYSA-N	-1	0	298.269	2.732	20	30		CFEDRM
O=C([O-])c1ccc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc1	ZINC000768842827	604889212	/nfs/dbraw/zinc/88/92/12/604889212.db2.gz	XDRQBSGFAGSERY-FMIVXFBMSA-N	-1	0	295.294	2.698	20	30		CFEDRM
CC(=NN[C@H](C)CC#N)[C@@H](C)CCCCC(=O)[O-]	ZINC000814883430	604984008	/nfs/dbraw/zinc/98/40/08/604984008.db2.gz	NJJBKZDKKXFTND-WDEREUQCSA-N	-1	0	253.346	2.535	20	30		CFEDRM
C[C@@H](CC#N)NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000827217407	604984113	/nfs/dbraw/zinc/98/41/13/604984113.db2.gz	CWRKEFOXWOIHOX-NSHDSACASA-N	-1	0	297.314	2.870	20	30		CFEDRM
C#CCCCCC(=O)N[C@](CC)(C(=O)[O-])c1ccccc1	ZINC000833363038	605010533	/nfs/dbraw/zinc/01/05/33/605010533.db2.gz	XJRUDJIOPHSQNC-KRWDZBQOSA-N	-1	0	287.359	2.686	20	30		CFEDRM
C=C(CC)COC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833369676	605015336	/nfs/dbraw/zinc/01/53/36/605015336.db2.gz	AYQVQVMFPMXXBC-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
C=CCCC[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000833374341	605021905	/nfs/dbraw/zinc/02/19/05/605021905.db2.gz	YAVCRILIIDELPP-WDEREUQCSA-N	-1	0	257.330	2.567	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1cc(F)ccc1C#N	ZINC000833455100	605034308	/nfs/dbraw/zinc/03/43/08/605034308.db2.gz	JDJZRIARRMUENF-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
C[C@H](Oc1ccc(C=NOC2CCCC2)cc1)C(=O)[O-]	ZINC000794921113	605040479	/nfs/dbraw/zinc/04/04/79/605040479.db2.gz	BRRPWCTXOVGVHX-NSHDSACASA-N	-1	0	277.320	2.832	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cccnc1	ZINC000254443950	605098067	/nfs/dbraw/zinc/09/80/67/605098067.db2.gz	VHIVMFGRYASXTR-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cnccc1C	ZINC000771550468	605100666	/nfs/dbraw/zinc/10/06/66/605100666.db2.gz	QJFCZKULLHIPDW-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
C=CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(C#N)c1	ZINC000833375591	605103416	/nfs/dbraw/zinc/10/34/16/605103416.db2.gz	AMAASIVJPFQART-UHFFFAOYSA-N	-1	0	295.342	2.773	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(F)c1F	ZINC000776259428	605122052	/nfs/dbraw/zinc/12/20/52/605122052.db2.gz	JIVPEFVLEFEKSB-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000164755460	605132619	/nfs/dbraw/zinc/13/26/19/605132619.db2.gz	QUZSGLFPQCNNMZ-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000148700995	605134998	/nfs/dbraw/zinc/13/49/98/605134998.db2.gz	ISVQJWCJUMPZSQ-UHFFFAOYSA-N	-1	0	290.319	2.599	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1scc(C(=O)[O-])c1C	ZINC000833373919	605158476	/nfs/dbraw/zinc/15/84/76/605158476.db2.gz	JBAHKWYOZMOHSQ-SECBINFHSA-N	-1	0	283.349	2.674	20	30		CFEDRM
C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C#N	ZINC000833531960	605163876	/nfs/dbraw/zinc/16/38/76/605163876.db2.gz	LVVALJCNFZLXJU-ZETCQYMHSA-N	-1	0	267.306	2.541	20	30		CFEDRM
C#CCCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000229722321	605191763	/nfs/dbraw/zinc/19/17/63/605191763.db2.gz	BZYZWHGQGPUWOO-UHFFFAOYSA-N	-1	0	262.265	2.508	20	30		CFEDRM
C#Cc1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1	ZINC000823475055	605249546	/nfs/dbraw/zinc/24/95/46/605249546.db2.gz	UEPXPZSOKARBCH-UHFFFAOYSA-N	-1	0	294.310	2.791	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833369241	605259642	/nfs/dbraw/zinc/25/96/42/605259642.db2.gz	MFEZGVDVTAXIJD-UHFFFAOYSA-N	-1	0	283.328	2.778	20	30		CFEDRM
C#Cc1ccc(C(=O)OCc2ccc(NC(=O)[O-])cc2)nc1	ZINC000833367905	605302909	/nfs/dbraw/zinc/30/29/09/605302909.db2.gz	AZFXOVVJDIUYKK-UHFFFAOYSA-N	-1	0	296.282	2.510	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1	ZINC000833550525	605340005	/nfs/dbraw/zinc/34/00/05/605340005.db2.gz	AWMZAPBELBFXQG-OAHLLOKOSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#Cc1cc(NCC2(NC(=O)[O-])CCC2)nc2ccccc12	ZINC000833974134	605361802	/nfs/dbraw/zinc/36/18/02/605361802.db2.gz	HYAMOJDOMZJECX-UHFFFAOYSA-N	-1	0	296.330	2.709	20	30		CFEDRM
C#CCN(CC)[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833364169	605374135	/nfs/dbraw/zinc/37/41/35/605374135.db2.gz	GBAKBKKBQBOQJC-LBPRGKRZSA-N	-1	0	269.703	2.560	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000135307599	605399638	/nfs/dbraw/zinc/39/96/38/605399638.db2.gz	CZXYWOYLDMEFTI-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000826705514	605428335	/nfs/dbraw/zinc/42/83/35/605428335.db2.gz	BHSMVUTYHKNFNA-NSHDSACASA-N	-1	0	275.308	2.507	20	30		CFEDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1	ZINC000833418567	605456037	/nfs/dbraw/zinc/45/60/37/605456037.db2.gz	JJTKOODYRVKTJP-UHFFFAOYSA-N	-1	0	297.314	2.501	20	30		CFEDRM
C=CCN(CCc1ccco1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000833374673	605474688	/nfs/dbraw/zinc/47/46/88/605474688.db2.gz	XJQQMNGXKQAOFK-UHFFFAOYSA-N	-1	0	293.363	2.728	20	30		CFEDRM
C[C@@H]1CCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833610497	605489902	/nfs/dbraw/zinc/48/99/02/605489902.db2.gz	WMDNCEWJFPQVNS-LERXQTSPSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000833819360	605499485	/nfs/dbraw/zinc/49/94/85/605499485.db2.gz	TYTSWSLFIYYUSK-ONGXEEELSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000833361787	605573315	/nfs/dbraw/zinc/57/33/15/605573315.db2.gz	LXSISCAVXGKJRA-UHFFFAOYSA-N	-1	0	259.305	2.907	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000833733392	605576803	/nfs/dbraw/zinc/57/68/03/605576803.db2.gz	GNSJGPXQZMRJIB-HYXAFXHYSA-N	-1	0	288.255	2.588	20	30		CFEDRM
C#CCCCCCC(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000833361831	605600738	/nfs/dbraw/zinc/60/07/38/605600738.db2.gz	NWAUAVGUVMHFEY-UHFFFAOYSA-N	-1	0	287.359	2.684	20	30		CFEDRM
C#CCCCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1	ZINC000833361605	605625609	/nfs/dbraw/zinc/62/56/09/605625609.db2.gz	CXBFAUBLRONZGF-UHFFFAOYSA-N	-1	0	299.330	2.783	20	30		CFEDRM
C#CCCCCCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000833361602	605627827	/nfs/dbraw/zinc/62/78/27/605627827.db2.gz	CPUGLZIVCWRWQV-XJKSGUPXSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])cc1O)C(C)C	ZINC000833788413	605645947	/nfs/dbraw/zinc/64/59/47/605645947.db2.gz	YMHLABAQTLPJKD-UHFFFAOYSA-N	-1	0	278.308	2.519	20	30		CFEDRM
CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833637351	605671954	/nfs/dbraw/zinc/67/19/54/605671954.db2.gz	DCDSCVCZUWRFQY-MISXGVKJSA-N	-1	0	289.331	2.909	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])oc1C	ZINC000833361662	605672693	/nfs/dbraw/zinc/67/26/93/605672693.db2.gz	GJOILKXHYYVFDZ-UHFFFAOYSA-N	-1	0	278.304	2.913	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NO[C@H]1CCCCO1	ZINC000834102396	605725472	/nfs/dbraw/zinc/72/54/72/605725472.db2.gz	DLUGZPXNUZNXJD-BNOWGMLFSA-N	-1	0	296.367	2.828	20	30		CFEDRM
N#Cc1ccc2nc(NC[C@@H](NC(=O)[O-])C3CC3)ccc2c1	ZINC000833977568	605769468	/nfs/dbraw/zinc/76/94/68/605769468.db2.gz	UFWRIGKDIPMWOP-CQSZACIVSA-N	-1	0	296.330	2.565	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C#N)cc1F	ZINC000781128093	605783270	/nfs/dbraw/zinc/78/32/70/605783270.db2.gz	NSRCGVGIVPILFZ-UHFFFAOYSA-N	-1	0	298.277	2.627	20	30		CFEDRM
CC(C[C@H]1CCCN1C(=O)[O-])N=Nc1ccnc(F)c1	ZINC000833804630	605855443	/nfs/dbraw/zinc/85/54/43/605855443.db2.gz	WXJOOLVTGRNVFK-LLVKDONJSA-N	-1	0	280.303	2.541	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1	ZINC000823485559	605899749	/nfs/dbraw/zinc/89/97/49/605899749.db2.gz	HUEXJYYHBUURBV-UHFFFAOYSA-N	-1	0	274.320	2.877	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833969892	605921231	/nfs/dbraw/zinc/92/12/31/605921231.db2.gz	HGXLIBWKXJUNRT-GFCCVEGCSA-N	-1	0	279.727	2.670	20	30		CFEDRM
N#Cc1ccc(SCCNC(=O)[O-])c(Cl)c1	ZINC000833976336	606017396	/nfs/dbraw/zinc/01/73/96/606017396.db2.gz	DVAMJKKEJIOWAD-UHFFFAOYSA-N	-1	0	256.714	2.571	20	30		CFEDRM
CCCCCCCCNC(=O)C1CCN(C(=O)[O-])CC1	ZINC000833852892	606019972	/nfs/dbraw/zinc/01/99/72/606019972.db2.gz	KYWPAWYPEMHYFD-UHFFFAOYSA-N	-1	0	284.400	2.853	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NN[C@@H]1CCSC1	ZINC000808003345	630938138	/nfs/dbraw/zinc/93/81/38/630938138.db2.gz	MPLOZOAOEGGDSC-SECBINFHSA-N	-1	0	274.748	2.614	20	30		CFEDRM
C#CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1F	ZINC000804833233	617905811	/nfs/dbraw/zinc/90/58/11/617905811.db2.gz	LWRWCWSBFGRBTI-UHFFFAOYSA-N	-1	0	283.302	2.807	20	30		CFEDRM
O=C(/C=C\c1cnn2ccccc12)c1ccc(O)cc1[O-]	ZINC000255501521	618032671	/nfs/dbraw/zinc/03/26/71/618032671.db2.gz	GTGPAVSSWYTYOA-DAXSKMNVSA-N	-1	0	280.283	2.642	20	30		CFEDRM
CC[C@H](CNc1nc2ccccc2c(C)c1C#N)C(=O)[O-]	ZINC000900977395	620736074	/nfs/dbraw/zinc/73/60/74/620736074.db2.gz	WDSXTDWFUWINER-LLVKDONJSA-N	-1	0	283.331	2.938	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1cccc(F)c1	ZINC000049418167	617604181	/nfs/dbraw/zinc/60/41/81/617604181.db2.gz	LAQYLZPUHCBIDX-SNVBAGLBSA-N	-1	0	287.356	2.699	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1Cl	ZINC000049417898	617604183	/nfs/dbraw/zinc/60/41/83/617604183.db2.gz	MZBWORAQMJHKCC-UHFFFAOYSA-N	-1	0	293.747	2.716	20	30		CFEDRM
COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)c1	ZINC000049515780	617608059	/nfs/dbraw/zinc/60/80/59/617608059.db2.gz	CPQOYNHYUJYXAL-LLVKDONJSA-N	-1	0	295.360	2.697	20	30		CFEDRM
CCC(CC)(CNc1cc(C)cc(C#N)n1)C(=O)[O-]	ZINC000900960701	620737056	/nfs/dbraw/zinc/73/70/56/620737056.db2.gz	CVFLNIAUUFIPNI-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
CCC(CC)(CNc1cc(C#N)nc(C2CC2)n1)C(=O)[O-]	ZINC000900961405	620737098	/nfs/dbraw/zinc/73/70/98/620737098.db2.gz	GNOXEQSVQYGGHF-UHFFFAOYSA-N	-1	0	288.351	2.529	20	30		CFEDRM
C=CCCSCCNc1nc(C)c(C(=O)[O-])s1	ZINC000900961912	620737738	/nfs/dbraw/zinc/73/77/38/620737738.db2.gz	HPIGMKOBCOVGMN-UHFFFAOYSA-N	-1	0	272.395	2.871	20	30		CFEDRM
CC[C@@H](O)CNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000811654570	617679865	/nfs/dbraw/zinc/67/98/65/617679865.db2.gz	YRQKDOWEBRXXFP-MRVPVSSYSA-N	-1	0	291.178	2.784	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2csc(C(=O)[O-])c2)n1	ZINC000811690171	617720637	/nfs/dbraw/zinc/72/06/37/617720637.db2.gz	WKZUNRZGUFXQSU-UPHRSURJSA-N	-1	0	290.325	2.671	20	30		CFEDRM
N#Cc1cc(-c2c(C(=O)[O-])nn3c2CCC3)ccc1C1CC1	ZINC000901081055	620750810	/nfs/dbraw/zinc/75/08/10/620750810.db2.gz	XJMXUDPORCGDRM-UHFFFAOYSA-N	-1	0	293.326	2.944	20	30		CFEDRM
O=C(/C=C\c1ccc(O)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000255040240	617782236	/nfs/dbraw/zinc/78/22/36/617782236.db2.gz	DNNHWPYMJHSVLN-CLTKARDFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)CSc1ccc2ccccc2c1	ZINC000048478831	617976307	/nfs/dbraw/zinc/97/63/07/617976307.db2.gz	ZEFOYSVAGMDCGZ-UHFFFAOYSA-N	-1	0	295.385	2.848	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048518829	617978388	/nfs/dbraw/zinc/97/83/88/617978388.db2.gz	AYXUHSCECDXZNY-SECBINFHSA-N	-1	0	273.329	2.658	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)c(F)c1	ZINC000075039717	618028930	/nfs/dbraw/zinc/02/89/30/618028930.db2.gz	OASWMMVXTNXQTR-UHFFFAOYSA-N	-1	0	273.329	2.825	20	30		CFEDRM
CC(C)OCCON=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000901245229	620770928	/nfs/dbraw/zinc/77/09/28/620770928.db2.gz	AMDLPCXUUONWFM-UHFFFAOYSA-N	-1	0	290.319	2.642	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])c(F)c3)C2)CO1	ZINC000901248560	620771253	/nfs/dbraw/zinc/77/12/53/620771253.db2.gz	BIEHWZCEZYJZRA-HJULIUOESA-N	-1	0	292.310	2.881	20	30		CFEDRM
Cc1ccc(C=NN[C@H](C)C(F)(F)F)cc1C(=O)[O-]	ZINC000901249887	620771993	/nfs/dbraw/zinc/77/19/93/620771993.db2.gz	KEWHPCYFLFPBSD-MRVPVSSYSA-N	-1	0	274.242	2.568	20	30		CFEDRM
CC1(C)OCC[C@H]1NN=Cc1cc(O)cc(Cl)c1	ZINC000901249256	620772048	/nfs/dbraw/zinc/77/20/48/620772048.db2.gz	WBEPGTYQTQRHES-GFCCVEGCSA-N	-1	0	268.744	2.537	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1	ZINC000901302721	620780297	/nfs/dbraw/zinc/78/02/97/620780297.db2.gz	LBLGFEAEUBOWIV-CLLJXQQHSA-N	-1	0	282.384	2.553	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(C)cc1	ZINC000846541641	618109720	/nfs/dbraw/zinc/10/97/20/618109720.db2.gz	JULWTLKFGCZUKN-LLVKDONJSA-N	-1	0	251.351	2.709	20	30		CFEDRM
C[C@H]1CC(NN=Cc2cccc(Cl)c2[O-])C[C@H](C)O1	ZINC000901310385	620782680	/nfs/dbraw/zinc/78/26/80/620782680.db2.gz	KEZHAJCGDIKFDC-UWVGGRQHSA-N	-1	0	282.771	2.925	20	30		CFEDRM
C[C@H]1CC(=NC(=O)c2cc(Cl)cc(Cl)c2[O-])NO1	ZINC000935136698	618189704	/nfs/dbraw/zinc/18/97/04/618189704.db2.gz	KJRJYRHDPSVKJP-YFKPBYRVSA-N	-1	0	289.118	2.551	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c(C)noc2C)c([O-])c1	ZINC000255323650	618197334	/nfs/dbraw/zinc/19/73/34/618197334.db2.gz	IVMFDQDPXCFNSD-SREVYHEPSA-N	-1	0	273.288	2.902	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CCCS2)c1	ZINC000255336412	618203646	/nfs/dbraw/zinc/20/36/46/618203646.db2.gz	BHZQBGJDVUOZBW-NUBYWOLOSA-N	-1	0	266.322	2.615	20	30		CFEDRM
Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2[O-])c(C)c1	ZINC000176822920	618207015	/nfs/dbraw/zinc/20/70/15/618207015.db2.gz	XTTZZBCQOJGHGU-UHFFFAOYSA-N	-1	0	296.326	2.898	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cccc(F)c2)c1	ZINC000176825069	618207171	/nfs/dbraw/zinc/20/71/71/618207171.db2.gz	APWLJCZAEUZPCR-UHFFFAOYSA-N	-1	0	270.263	2.584	20	30		CFEDRM
Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176825142	618207216	/nfs/dbraw/zinc/20/72/16/618207216.db2.gz	OHZRASNGZGIBJT-LBPRGKRZSA-N	-1	0	296.326	2.978	20	30		CFEDRM
COc1ccc(C)cc1N=Cc1ccc(O)c(O)c1O	ZINC000255598791	618220947	/nfs/dbraw/zinc/22/09/47/618220947.db2.gz	IOZOEJLUPBNECB-UHFFFAOYSA-N	-1	0	273.288	2.871	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C3CC3)o2)n1	ZINC000892417021	618234326	/nfs/dbraw/zinc/23/43/26/618234326.db2.gz	DVAWKCHELLSADP-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCF	ZINC000892424064	618253440	/nfs/dbraw/zinc/25/34/40/618253440.db2.gz	LMSJBMRZBKNTSX-NSHDSACASA-N	-1	0	272.279	2.728	20	30		CFEDRM
O=C(/C=C\c1ccc2c(c1)CCO2)c1ccc(O)cc1[O-]	ZINC000255683212	618262630	/nfs/dbraw/zinc/26/26/30/618262630.db2.gz	WGMSDEVWWIWRQD-KTAJNNJTSA-N	-1	0	282.295	2.929	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000909437158	618264568	/nfs/dbraw/zinc/26/45/68/618264568.db2.gz	FUBLMJXBCPCONL-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)CC(C)C	ZINC000841640511	618331074	/nfs/dbraw/zinc/33/10/74/618331074.db2.gz	GSPVXFUEDQPVCY-NSHDSACASA-N	-1	0	282.315	2.983	20	30		CFEDRM
COCCC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000179737357	618343575	/nfs/dbraw/zinc/34/35/75/618343575.db2.gz	BBCWMAWGEWPKCO-UHFFFAOYSA-N	-1	0	288.347	2.799	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000909480359	618405690	/nfs/dbraw/zinc/40/56/90/618405690.db2.gz	BSKIKWLUDLXERQ-DOMZBBRYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@@H](C)CC(=O)[O-])c1ccccc1	ZINC000909484530	618411686	/nfs/dbraw/zinc/41/16/86/618411686.db2.gz	FMIRHVDUCUURIS-GXTWGEPZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909485473	618412785	/nfs/dbraw/zinc/41/27/85/618412785.db2.gz	ATWQZCLNPXIKEJ-GFCCVEGCSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909495349	618423034	/nfs/dbraw/zinc/42/30/34/618423034.db2.gz	QGVYDPTXGAYTPC-LBPRGKRZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C1CCC(C(=O)N2CCCC[C@H]2CC(=O)[O-])CC1	ZINC000909498953	618430030	/nfs/dbraw/zinc/43/00/30/618430030.db2.gz	KGJCMGPPXJIVSH-ZDUSSCGKSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909507297	618487428	/nfs/dbraw/zinc/48/74/28/618487428.db2.gz	OOCUHCOINQOGRZ-SNVBAGLBSA-N	-1	0	294.376	2.521	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)s1	ZINC000909514205	618526877	/nfs/dbraw/zinc/52/68/77/618526877.db2.gz	DAJMWLLZWBXGPT-UHFFFAOYSA-N	-1	0	281.377	2.758	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC[C@H]1CCc2ccccc21	ZINC000909517042	618538838	/nfs/dbraw/zinc/53/88/38/618538838.db2.gz	YFFRCNXACMUFDN-CQSZACIVSA-N	-1	0	287.359	2.596	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901451803	620817423	/nfs/dbraw/zinc/81/74/23/620817423.db2.gz	UDSQOLNLEPACBU-DGCLKSJQSA-N	-1	0	279.286	2.968	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C	ZINC000119705106	618807041	/nfs/dbraw/zinc/80/70/41/618807041.db2.gz	HRCLHDKHWLQZBC-OAHLLOKOSA-N	-1	0	284.359	2.685	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1	ZINC000119887277	618808325	/nfs/dbraw/zinc/80/83/25/618808325.db2.gz	UKNUFJQTXMQQJN-HNNXBMFYSA-N	-1	0	284.359	2.584	20	30		CFEDRM
C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccco1	ZINC000077882501	619126033	/nfs/dbraw/zinc/12/60/33/619126033.db2.gz	QTCHSHKGZDAWCA-SNVBAGLBSA-N	-1	0	279.317	2.675	20	30		CFEDRM
CC(C)[C@@H]1CC(=NNc2cnnc([O-])c2Cl)CS1	ZINC000814782695	619258704	/nfs/dbraw/zinc/25/87/04/619258704.db2.gz	NPKFJJSCLBXOSQ-VIFPVBQESA-N	-1	0	286.788	2.765	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2)c1	ZINC000048505710	619346381	/nfs/dbraw/zinc/34/63/81/619346381.db2.gz	ZYFRGOVYKVCZCJ-UHFFFAOYSA-N	-1	0	275.329	2.689	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519152	619349480	/nfs/dbraw/zinc/34/94/80/619349480.db2.gz	PFNXBRVYAHCQJW-UHFFFAOYSA-N	-1	0	259.302	2.661	20	30		CFEDRM
CC[C@H](NN=Cc1cc2ccccc2s1)C(=O)[O-]	ZINC000793054462	619505404	/nfs/dbraw/zinc/50/54/04/619505404.db2.gz	GFWVYQUJGKQPCM-NSHDSACASA-N	-1	0	262.334	2.688	20	30		CFEDRM
CC[C@H](NN=Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000793080158	619507587	/nfs/dbraw/zinc/50/75/87/619507587.db2.gz	WKDXDMKZISRLCY-JTQLQIEISA-N	-1	0	292.232	2.631	20	30		CFEDRM
CC1(CNN=Cc2ccc([N+](=O)[O-])c([O-])c2)CCCC1	ZINC000793085057	619508467	/nfs/dbraw/zinc/50/84/67/619508467.db2.gz	WKKSKQUICDZVET-UHFFFAOYSA-N	-1	0	277.324	2.804	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1C	ZINC000046708615	619519606	/nfs/dbraw/zinc/51/96/06/619519606.db2.gz	VBFXPFWGLBQONM-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)C1CC1	ZINC000049134957	619534987	/nfs/dbraw/zinc/53/49/87/619534987.db2.gz	IYZMVYKSGABRIQ-JTQLQIEISA-N	-1	0	267.350	2.768	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135726	619535827	/nfs/dbraw/zinc/53/58/27/619535827.db2.gz	TVBNIFLTOOTEEW-SVRRBLITSA-N	-1	0	291.731	2.780	20	30		CFEDRM
CC[C@](C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840706813	619859233	/nfs/dbraw/zinc/85/92/33/619859233.db2.gz	KMKRJHKCNGCLRH-SJWLEHQBSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1oc(C)cc1C	ZINC000079153391	619862128	/nfs/dbraw/zinc/86/21/28/619862128.db2.gz	GEVZYCYBDKQSQS-UHFFFAOYSA-N	-1	0	273.354	2.719	20	30		CFEDRM
C=CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1	ZINC000909562838	619877819	/nfs/dbraw/zinc/87/78/19/619877819.db2.gz	OXDATRMIHYTURD-UHFFFAOYSA-N	-1	0	298.342	2.586	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C(=O)[O-])c2cccs2)CC1	ZINC000909638792	620009228	/nfs/dbraw/zinc/00/92/28/620009228.db2.gz	PQMYGGLZDKLZAM-LBPRGKRZSA-N	-1	0	279.361	2.736	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-]	ZINC000909655967	620036721	/nfs/dbraw/zinc/03/67/21/620036721.db2.gz	NZUZNMNLMFSKHI-WDEREUQCSA-N	-1	0	293.388	2.804	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000899295153	620541030	/nfs/dbraw/zinc/54/10/30/620541030.db2.gz	IVCDQCZTGPQXDK-JTQLQIEISA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000899296506	620541312	/nfs/dbraw/zinc/54/13/12/620541312.db2.gz	YMCCUMSXWZYIHG-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O	ZINC000899352660	620548246	/nfs/dbraw/zinc/54/82/46/620548246.db2.gz	MXTNMXFMWSSCCY-JTQLQIEISA-N	-1	0	290.754	2.615	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(SC)cc2)c1=O	ZINC000899349234	620549696	/nfs/dbraw/zinc/54/96/96/620549696.db2.gz	YZWJBCCRHKXCOS-CYBMUJFWSA-N	-1	0	258.346	2.771	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(C(=O)OCC)c(C)c2)c1=O	ZINC000899356700	620549852	/nfs/dbraw/zinc/54/98/52/620549852.db2.gz	QLTQJVGVKLTNKA-OAHLLOKOSA-N	-1	0	298.342	2.534	20	30		CFEDRM
C#CCCc1cc(=O)n(Cc2ccc(Cl)cc2)[n-]1	ZINC000899351169	620550795	/nfs/dbraw/zinc/55/07/95/620550795.db2.gz	BKVUWPDAHUALHU-UHFFFAOYSA-N	-1	0	260.724	2.842	20	30		CFEDRM
CCCn1cc(C(=O)/C=C\c2ccc(C)c(C(=O)[O-])c2)nn1	ZINC000899392606	620561724	/nfs/dbraw/zinc/56/17/24/620561724.db2.gz	SYJRPBSMEPDUIT-SREVYHEPSA-N	-1	0	299.330	2.591	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1cc(O)cc(F)c1	ZINC000899412509	620565586	/nfs/dbraw/zinc/56/55/86/620565586.db2.gz	IVWYLQMYIIVYOQ-SNAWJCMRSA-N	-1	0	286.306	2.960	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C=CCC2)cc1	ZINC000042235273	620576729	/nfs/dbraw/zinc/57/67/29/620576729.db2.gz	MFGSJKATCBRBRQ-GFCCVEGCSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042249741	620586192	/nfs/dbraw/zinc/58/61/92/620586192.db2.gz	YPNUDRSHPNWGQB-JTQLQIEISA-N	-1	0	283.324	2.827	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)NCC(C)(C)CCC#N	ZINC000899782192	620598681	/nfs/dbraw/zinc/59/86/81/620598681.db2.gz	KNSOIXXQDHVHBU-LBPRGKRZSA-N	-1	0	282.384	2.570	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1F	ZINC000899775742	620598812	/nfs/dbraw/zinc/59/88/12/620598812.db2.gz	NRBMXMLWMHATBQ-LLVKDONJSA-N	-1	0	292.310	2.773	20	30		CFEDRM
C=CCCCCCNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C)C(=O)[O-]	ZINC000899788858	620599796	/nfs/dbraw/zinc/59/97/96/620599796.db2.gz	MWCDDQSLIMZUMP-ZOMKSWQUSA-N	-1	0	291.391	2.762	20	30		CFEDRM
C#CC1(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)CCCC1	ZINC000899833820	620604702	/nfs/dbraw/zinc/60/47/02/620604702.db2.gz	FLQUTTUFQLGZPT-OAHLLOKOSA-N	-1	0	299.370	2.616	20	30		CFEDRM
C=CC(C)(C)NC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000899855185	620606904	/nfs/dbraw/zinc/60/69/04/620606904.db2.gz	TZGASDWRNKWAFG-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C#Cc1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1	ZINC000899855314	620607060	/nfs/dbraw/zinc/60/70/60/620607060.db2.gz	FQBYOZJMFIMIJU-UHFFFAOYSA-N	-1	0	273.332	2.888	20	30		CFEDRM
O=C([O-])c1coc2c1C(=O)/C(=C\c1cn(C3CC3)cn1)CC2	ZINC000901516195	620853648	/nfs/dbraw/zinc/85/36/48/620853648.db2.gz	RQBBTKQHNBHXKD-UITAMQMPSA-N	-1	0	298.298	2.722	20	30		CFEDRM
CCc1nocc1/C=C1/CCc2occ(C(=O)[O-])c2C1=O	ZINC000901516108	620853675	/nfs/dbraw/zinc/85/36/75/620853675.db2.gz	PYBYVQXANOXZOL-YVMONPNESA-N	-1	0	287.271	2.741	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1c([O-])cccc1F	ZINC000901561424	620857869	/nfs/dbraw/zinc/85/78/69/620857869.db2.gz	RRARANGSQBQJIN-BQYQJAHWSA-N	-1	0	287.294	2.744	20	30		CFEDRM
CC(C)(C)CC[C@H](NC(=O)C1(C#N)CCCCC1)C(=O)[O-]	ZINC000901568948	620859624	/nfs/dbraw/zinc/85/96/24/620859624.db2.gz	DSMHVWPUUXHCGM-LBPRGKRZSA-N	-1	0	294.395	2.856	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cnc(C2CCCC2)s1	ZINC000901586812	620862746	/nfs/dbraw/zinc/86/27/46/620862746.db2.gz	SSGAUNNUPGEDHG-UHFFFAOYSA-N	-1	0	280.393	2.873	20	30		CFEDRM
C=CCOC[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-]	ZINC000901808001	620921270	/nfs/dbraw/zinc/92/12/70/620921270.db2.gz	ABLSUMFAPPWOPO-WCQYABFASA-N	-1	0	289.331	2.739	20	30		CFEDRM
C#CCOc1cc(F)ccc1NC1CC(C)(C(=O)[O-])C1	ZINC000902311995	621029750	/nfs/dbraw/zinc/02/97/50/621029750.db2.gz	JZDJQZHOQYUJQX-UHFFFAOYSA-N	-1	0	277.295	2.503	20	30		CFEDRM
N#Cc1cc(NC(=O)C2(C(=O)[O-])CCC2)ccc1C1CC1	ZINC000902702077	621155227	/nfs/dbraw/zinc/15/52/27/621155227.db2.gz	NUQPHGFYCZKZAM-UHFFFAOYSA-N	-1	0	284.315	2.629	20	30		CFEDRM
CCCc1c(N[C@H](C)C(=O)[O-])cnn1-c1cccc(C#N)c1	ZINC000904233321	621557082	/nfs/dbraw/zinc/55/70/82/621557082.db2.gz	QKUAYMYWTWJXCA-LLVKDONJSA-N	-1	0	298.346	2.581	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000905117749	621702743	/nfs/dbraw/zinc/70/27/43/621702743.db2.gz	IJGDKUZMYLIFNK-OWCLPIDISA-N	-1	0	299.370	2.758	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(C(=O)[O-])cc1C	ZINC000905457266	621777084	/nfs/dbraw/zinc/77/70/84/621777084.db2.gz	WITICCYHRHUKNE-AWEZNQCLSA-N	-1	0	277.320	2.960	20	30		CFEDRM
CC(=NOCCOC(C)C)c1ccc(C(=O)[O-])cc1C	ZINC000905470659	621781130	/nfs/dbraw/zinc/78/11/30/621781130.db2.gz	VYPPYJKKFGUGAP-UHFFFAOYSA-N	-1	0	279.336	2.859	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCc1ccc(C)s1)C(=O)[O-]	ZINC000905512681	621784310	/nfs/dbraw/zinc/78/43/10/621784310.db2.gz	PGFBPZMDYHLHRB-LBPRGKRZSA-N	-1	0	296.392	2.665	20	30		CFEDRM
C[C@@H]1CCc2sc([N-]S(C)(=O)=O)c(C#N)c2[C@@H]1C	ZINC000906074610	621929096	/nfs/dbraw/zinc/92/90/96/621929096.db2.gz	IHKVEPZJLYXQGN-HTQZYQBOSA-N	-1	0	284.406	2.677	20	30		CFEDRM
CC#Cc1cccc(-c2c(C(=O)[O-])nn3c2CCC3)c1	ZINC000906241586	621964012	/nfs/dbraw/zinc/96/40/12/621964012.db2.gz	PLRALCPVUDCHKP-UHFFFAOYSA-N	-1	0	266.300	2.566	20	30		CFEDRM
Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)O2	ZINC000832905292	625538212	/nfs/dbraw/zinc/53/82/12/625538212.db2.gz	CTZQOXUMORWULH-AUWJEWJLSA-N	-1	0	283.283	2.946	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000907576798	622138329	/nfs/dbraw/zinc/13/83/29/622138329.db2.gz	LKMWBTIWAAKMRF-LKFCYVNXSA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000907579187	622139478	/nfs/dbraw/zinc/13/94/78/622139478.db2.gz	OAVBNYBANGNEDN-LRDDRELGSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000907635957	622144730	/nfs/dbraw/zinc/14/47/30/622144730.db2.gz	RAMLXZAQNZBREW-JMSVASOKSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])CCCCC1	ZINC000907653151	622147665	/nfs/dbraw/zinc/14/76/65/622147665.db2.gz	QTUHMUFLHQLLQU-VXGBXAGGSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC1(CC(=O)N[C@@](C)(CCF)C(=O)[O-])CCCCC1	ZINC000907709476	622154498	/nfs/dbraw/zinc/15/44/98/622154498.db2.gz	VXABDWLZHUTUIR-AWEZNQCLSA-N	-1	0	285.359	2.832	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C	ZINC000908031256	622188793	/nfs/dbraw/zinc/18/87/93/622188793.db2.gz	SFUPJSBGNMAMAV-SNVBAGLBSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908067022	622192765	/nfs/dbraw/zinc/19/27/65/622192765.db2.gz	DVXPELVRFDIMFX-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1	ZINC000908219720	622202652	/nfs/dbraw/zinc/20/26/52/622202652.db2.gz	XLCGIYDVDZVVAX-UHFFFAOYSA-N	-1	0	287.315	2.756	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908242594	622207551	/nfs/dbraw/zinc/20/75/51/622207551.db2.gz	DJTYFFBWSNZBDD-AWEZNQCLSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000908597657	622248736	/nfs/dbraw/zinc/24/87/36/622248736.db2.gz	HVIZGPGGZRFOBS-LSDHHAIUSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@@H](C(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC000908635541	622251203	/nfs/dbraw/zinc/25/12/03/622251203.db2.gz	NJRYOXOLRZZZRS-CQSZACIVSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccccc2CC(=O)[O-])CC1	ZINC000909069433	622307757	/nfs/dbraw/zinc/30/77/57/622307757.db2.gz	DXDBWKKDQAJHBG-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000909105948	622317428	/nfs/dbraw/zinc/31/74/28/622317428.db2.gz	OCNKZNLBDRSSKS-OAHLLOKOSA-N	-1	0	295.310	2.691	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCc1cccc(C(C)C)c1	ZINC000909110008	622318414	/nfs/dbraw/zinc/31/84/14/622318414.db2.gz	LPKAMPLWZNEVRO-UHFFFAOYSA-N	-1	0	290.363	2.592	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000909714703	622344440	/nfs/dbraw/zinc/34/44/40/622344440.db2.gz	ZSEHBJSIMKSJTI-HTAVTVPLSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-]	ZINC000909717993	622345843	/nfs/dbraw/zinc/34/58/43/622345843.db2.gz	KVCHLAAPTLQGJS-NSHDSACASA-N	-1	0	283.274	2.773	20	30		CFEDRM
C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909824221	622353075	/nfs/dbraw/zinc/35/30/75/622353075.db2.gz	QTUAQPUXQBAZBQ-GXTWGEPZSA-N	-1	0	289.375	2.647	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1	ZINC000909867495	622361637	/nfs/dbraw/zinc/36/16/37/622361637.db2.gz	AXWDUYXMDURSOT-UHFFFAOYSA-N	-1	0	285.343	2.626	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000909875692	622363345	/nfs/dbraw/zinc/36/33/45/622363345.db2.gz	UECVXRWOLLBJPQ-LBPRGKRZSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C#CCCCCCC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000833361854	625561175	/nfs/dbraw/zinc/56/11/75/625561175.db2.gz	PACZCXKGZCFQBW-UHFFFAOYSA-N	-1	0	279.380	2.674	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)OCC	ZINC000909954713	622379803	/nfs/dbraw/zinc/37/98/03/622379803.db2.gz	VYXBDDHABMQXOL-XJKCOSOUSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000909989961	622383008	/nfs/dbraw/zinc/38/30/08/622383008.db2.gz	PNAMBJTVHWNLSD-ZPVISIIKSA-N	-1	0	289.375	2.731	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)[C@H](C)CC(=O)[O-])CCCC1(C)C	ZINC000910024482	622387507	/nfs/dbraw/zinc/38/75/07/622387507.db2.gz	XULODGROCNATDS-NEPJUHHUSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H](CCCC=C)c1ccccc1)C(=O)[O-]	ZINC000910048390	622396726	/nfs/dbraw/zinc/39/67/26/622396726.db2.gz	KRSQWPOFFPZHPN-CVEARBPZSA-N	-1	0	299.370	2.719	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1ccccc1CCC(=O)[O-]	ZINC000910242446	622417500	/nfs/dbraw/zinc/41/75/00/622417500.db2.gz	QPXOKZGAJXSXQG-ZDUSSCGKSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21	ZINC000910246879	622418315	/nfs/dbraw/zinc/41/83/15/622418315.db2.gz	NYVSAIFQLFWKRH-RWMBFGLXSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910266576	622421242	/nfs/dbraw/zinc/42/12/42/622421242.db2.gz	NCKVSEWNIYEHHD-SPFNVWMYSA-N	-1	0	287.787	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC[C@@H](C)CC)C(=O)[O-]	ZINC000910265564	622421560	/nfs/dbraw/zinc/42/15/60/622421560.db2.gz	HOWPGYWHNMGQSJ-WPRPVWTQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-]	ZINC000910269305	622421849	/nfs/dbraw/zinc/42/18/49/622421849.db2.gz	AEBLMPOBHPUGRT-MRVPVSSYSA-N	-1	0	297.729	2.770	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910269741	622422006	/nfs/dbraw/zinc/42/20/06/622422006.db2.gz	DNAUKDWEJKLMIX-WDEREUQCSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910287036	622426423	/nfs/dbraw/zinc/42/64/23/622426423.db2.gz	MKOBUPMAHBCEHJ-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCCc1ccccc1)C(=O)[O-]	ZINC000910292832	622429908	/nfs/dbraw/zinc/42/99/08/622429908.db2.gz	JDHFIEPWBLSAKB-HNNXBMFYSA-N	-1	0	289.375	2.935	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C)c2c1CCC2)C(=O)[O-]	ZINC000910291452	622430192	/nfs/dbraw/zinc/43/01/92/622430192.db2.gz	IRCNVRXIJHNILL-HNNXBMFYSA-N	-1	0	287.359	2.633	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000910295474	622431160	/nfs/dbraw/zinc/43/11/60/622431160.db2.gz	WFWYNZGTYFDPOZ-SECBINFHSA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000910354503	622438069	/nfs/dbraw/zinc/43/80/69/622438069.db2.gz	AZRSBEZPEMQIHJ-SECBINFHSA-N	-1	0	264.281	2.978	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccc(C(=O)[O-])cc2F)C1	ZINC000833552018	625569619	/nfs/dbraw/zinc/56/96/19/625569619.db2.gz	YJTFDHQWUHWDIP-HNNXBMFYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)OCC	ZINC000910560718	622457706	/nfs/dbraw/zinc/45/77/06/622457706.db2.gz	UCNGCVHJEIDHLA-UONOGXRCSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CC[C@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC000910809855	622477373	/nfs/dbraw/zinc/47/73/73/622477373.db2.gz	OTQVVSNTFIIPMF-ZALBZXLWSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(SC)o1)C(=O)[O-]	ZINC000910914697	622486009	/nfs/dbraw/zinc/48/60/09/622486009.db2.gz	NACACFYINKHIAB-SECBINFHSA-N	-1	0	283.349	2.541	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)[O-]	ZINC000910913984	622486345	/nfs/dbraw/zinc/48/63/45/622486345.db2.gz	AOZZEVSTUQTNCR-AWEZNQCLSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C\C(C)(C)C)C(=O)[O-]	ZINC000910914640	622486363	/nfs/dbraw/zinc/48/63/63/622486363.db2.gz	MFVBCOUYWUJGNQ-JUDLJHIGSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)[O-]	ZINC000910914014	622486389	/nfs/dbraw/zinc/48/63/89/622486389.db2.gz	BKHIUAAYHJFCCO-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1C=CCCC1)C(=O)[O-]	ZINC000910916694	622486797	/nfs/dbraw/zinc/48/67/97/622486797.db2.gz	IHFWGPSSSARZSC-STQMWFEESA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)cc1OC)C(=O)[O-]	ZINC000910916062	622486818	/nfs/dbraw/zinc/48/68/18/622486818.db2.gz	SQZITNGKBPVOPG-CYBMUJFWSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)s1)C(=O)[O-]	ZINC000910918414	622487099	/nfs/dbraw/zinc/48/70/99/622487099.db2.gz	JUGMUHOGXFSHHY-JTQLQIEISA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1sc(C)cc1C)C(=O)[O-]	ZINC000910921075	622487184	/nfs/dbraw/zinc/48/71/84/622487184.db2.gz	ADEPBKJJHTVTAK-GFCCVEGCSA-N	-1	0	295.404	2.833	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000910917508	622487252	/nfs/dbraw/zinc/48/72/52/622487252.db2.gz	BKMXXVWJFXPJQP-NSHDSACASA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1CCC2(CC2)CC1)C(=O)[O-]	ZINC000910922642	622487602	/nfs/dbraw/zinc/48/76/02/622487602.db2.gz	LRZNFFLGYOTWGU-ZDUSSCGKSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H](C)c1ccco1)C(=O)[O-]	ZINC000910922873	622487775	/nfs/dbraw/zinc/48/77/75/622487775.db2.gz	OCHFGVXVZKVYRS-RYUDHWBXSA-N	-1	0	279.336	2.699	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-]	ZINC000910922643	622487795	/nfs/dbraw/zinc/48/77/95/622487795.db2.gz	LRZZJNOWBPUTIV-CHWSQXEVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@H]1CCC(C)(C)CO1)C(=O)[O-]	ZINC000910923598	622487825	/nfs/dbraw/zinc/48/78/25/622487825.db2.gz	UFBHWJLHQKPDCL-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1coc(C(F)F)c1)C(=O)[O-]	ZINC000910922136	622487884	/nfs/dbraw/zinc/48/78/84/622487884.db2.gz	HNEBRDJVDJDGAG-VIFPVBQESA-N	-1	0	287.262	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(SC)oc1C)C(=O)[O-]	ZINC000910927426	622488623	/nfs/dbraw/zinc/48/86/23/622488623.db2.gz	YIUPGKCSWWIYBZ-LLVKDONJSA-N	-1	0	297.376	2.849	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(CF)cc1)C(=O)[O-]	ZINC000910927470	622488636	/nfs/dbraw/zinc/48/86/36/622488636.db2.gz	ZGROCDSUXBHTNW-CYBMUJFWSA-N	-1	0	279.311	2.695	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc[nH]c1CCC)C(=O)[O-]	ZINC000910927033	622488791	/nfs/dbraw/zinc/48/87/91/622488791.db2.gz	WMNAYGKRYWNQBW-CYBMUJFWSA-N	-1	0	278.352	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000910927141	622488859	/nfs/dbraw/zinc/48/88/59/622488859.db2.gz	XHHGJZIFEWJUMF-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C1CCC(CNC(=O)c2c(C)coc2CC(=O)[O-])CC1	ZINC000910992159	622496986	/nfs/dbraw/zinc/49/69/86/622496986.db2.gz	XREVAWDWCBDACC-UHFFFAOYSA-N	-1	0	291.347	2.691	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](CC)Cc1ccccc1C	ZINC000819927515	622575054	/nfs/dbraw/zinc/57/50/54/622575054.db2.gz	SHKDHIOJRQGUEI-CQSZACIVSA-N	-1	0	289.375	2.663	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1cnccn1	ZINC000912961211	622805403	/nfs/dbraw/zinc/80/54/03/622805403.db2.gz	DMMGYKDTYYXERW-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
Cc1nc(C)c(/C=C/C(=O)c2csc(C(=O)[O-])c2)o1	ZINC000821039065	622828470	/nfs/dbraw/zinc/82/84/70/622828470.db2.gz	OVKXXBULSCGHMP-ONEGZZNKSA-N	-1	0	277.301	2.947	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCC1CCCC1	ZINC000821332163	622896146	/nfs/dbraw/zinc/89/61/46/622896146.db2.gz	JRVJKCYFEZNKNF-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CC1(C(=O)Nc2cc(C#N)ccc2[O-])CC(F)(F)C1	ZINC000821349409	622902204	/nfs/dbraw/zinc/90/22/04/622902204.db2.gz	QZBSHPSUBWSZGT-UHFFFAOYSA-N	-1	0	266.247	2.638	20	30		CFEDRM
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])cc1	ZINC000156638649	622952924	/nfs/dbraw/zinc/95/29/24/622952924.db2.gz	OOJSSEDJBRVSED-RUDMXATFSA-N	-1	0	297.310	2.952	20	30		CFEDRM
COC(=O)c1cc(/C=C/C(=O)c2ccc(C)cc2[O-])c[nH]1	ZINC000156708406	622956127	/nfs/dbraw/zinc/95/61/27/622956127.db2.gz	QJOJAPXLJYYGFG-GQCTYLIASA-N	-1	0	285.299	2.711	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccsc1	ZINC000045099892	622964817	/nfs/dbraw/zinc/96/48/17/622964817.db2.gz	QWZYCIUSYPMHNO-UHFFFAOYSA-N	-1	0	299.348	2.722	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1C	ZINC000046708581	623093786	/nfs/dbraw/zinc/09/37/86/623093786.db2.gz	SGVOHVZNEPYKHU-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccs1	ZINC000046927943	623104617	/nfs/dbraw/zinc/10/46/17/623104617.db2.gz	DLFVVLLMGMMMAY-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1	ZINC000046929448	623105418	/nfs/dbraw/zinc/10/54/18/623105418.db2.gz	BRMFZOSCRBKWGG-UHFFFAOYSA-N	-1	0	283.349	2.581	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C(C)=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000823369140	623299608	/nfs/dbraw/zinc/29/96/08/623299608.db2.gz	XSPVZUZAFSPNPX-BMSUMIBZSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(\C)c1ccc(F)cc1)C(=O)[O-]	ZINC000823368958	623300048	/nfs/dbraw/zinc/30/00/48/623300048.db2.gz	GTIGHXAQHQFLPA-VNDWYCCKSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1	ZINC000824028228	623435875	/nfs/dbraw/zinc/43/58/75/623435875.db2.gz	BTQKMPSDOFDICZ-UHFFFAOYSA-N	-1	0	290.697	2.759	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000824232214	623473631	/nfs/dbraw/zinc/47/36/31/623473631.db2.gz	GPULIURDHLOOMO-ZETCQYMHSA-N	-1	0	277.217	2.679	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC000814906006	623482216	/nfs/dbraw/zinc/48/22/16/623482216.db2.gz	BWOCYINUVQBBEB-MFKMUULPSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](CC(=O)[O-])[C@H]1C	ZINC000814906048	623482624	/nfs/dbraw/zinc/48/26/24/623482624.db2.gz	DJHDXTUWTNINBP-ZYHUDNBSSA-N	-1	0	254.374	2.889	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1Cl	ZINC000151541446	623483679	/nfs/dbraw/zinc/48/36/79/623483679.db2.gz	UWAJIXABINSCNW-LBPRGKRZSA-N	-1	0	290.750	2.593	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@]2(C#N)CC3CCC2CC3)c1	ZINC000913666555	623550669	/nfs/dbraw/zinc/55/06/69/623550669.db2.gz	CMQFYIOSWMEQOZ-AJUCZRQESA-N	-1	0	295.342	2.688	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NOCCC(F)(F)F	ZINC000814910337	623721897	/nfs/dbraw/zinc/72/18/97/623721897.db2.gz	SMPDTEGQJWDONU-UHFFFAOYSA-N	-1	0	267.247	2.976	20	30		CFEDRM
CC(=NOC[C@@H]1CCOC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814912518	623888452	/nfs/dbraw/zinc/88/84/52/623888452.db2.gz	VTZZARHFYBEFGE-WCQYABFASA-N	-1	0	271.357	2.697	20	30		CFEDRM
CC[C@@H](C)NN=C(C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814912854	623897551	/nfs/dbraw/zinc/89/75/51/623897551.db2.gz	CACGTLZADFXAEV-PWSUYJOCSA-N	-1	0	278.352	2.651	20	30		CFEDRM
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(O)c1	ZINC000914693050	623920261	/nfs/dbraw/zinc/92/02/61/623920261.db2.gz	HKYOJBGBJCBHCM-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CCC(=NOC[C@@H]1CCOC1)c1cc(C(=O)[O-])ccc1F	ZINC000788030510	623947335	/nfs/dbraw/zinc/94/73/35/623947335.db2.gz	OLEMYPUXFRKYCW-SNVBAGLBSA-N	-1	0	295.310	2.691	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@]2(C#N)CC23CCCC3)c1	ZINC000827828818	624104985	/nfs/dbraw/zinc/10/49/85/624104985.db2.gz	GCKOVAZRXFOECF-MRXNPFEDSA-N	-1	0	281.315	2.676	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])C(C)(F)F	ZINC000827830404	624105043	/nfs/dbraw/zinc/10/50/43/624105043.db2.gz	YJAJXCXZOXTULW-UHFFFAOYSA-N	-1	0	268.263	2.884	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCc2ccc(F)c(F)c2)cc1	ZINC000915976006	624199992	/nfs/dbraw/zinc/19/99/92/624199992.db2.gz	HMDCVTZBFAVYSV-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
Cc1cccc(NN=Cc2ccc(OCC(=O)[O-])cc2)c1	ZINC000916256450	624230915	/nfs/dbraw/zinc/23/09/15/624230915.db2.gz	ZJAFNAONDJTDIP-UHFFFAOYSA-N	-1	0	284.315	2.904	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc(F)c2)c1	ZINC000916255419	624231095	/nfs/dbraw/zinc/23/10/95/624231095.db2.gz	ZPUFQGCHCGBUTJ-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
CC(C)=CCCC(C)C=CN=Nc1nnc(C)c(=O)[n-]1	ZINC000916282448	624236125	/nfs/dbraw/zinc/23/61/25/624236125.db2.gz	GTZAIYPVMPADTM-USOHRHBCSA-N	-1	0	275.356	2.976	20	30		CFEDRM
CC(C)=CCC[C@@H](C)CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000916303521	624237389	/nfs/dbraw/zinc/23/73/89/624237389.db2.gz	KXGVSVTUROUHIG-LLVKDONJSA-N	-1	0	294.424	2.842	20	30		CFEDRM
Cc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1	ZINC000916304704	624237620	/nfs/dbraw/zinc/23/76/20/624237620.db2.gz	AIRXMGFAAXIMHQ-UHFFFAOYSA-N	-1	0	292.311	2.838	20	30		CFEDRM
Cc1nnc(NN=C(CC(C)C)c2cccs2)[n-]c1=O	ZINC000917538798	624351877	/nfs/dbraw/zinc/35/18/77/624351877.db2.gz	PHQZGZLUULIWOR-UHFFFAOYSA-N	-1	0	291.380	2.809	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)c(C)[nH]1	ZINC000917563086	624356677	/nfs/dbraw/zinc/35/66/77/624356677.db2.gz	FBXLKESGORVFLV-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ncccc2Cl)cc1	ZINC000917549285	624358641	/nfs/dbraw/zinc/35/86/41/624358641.db2.gz	KWUZGLCJYGEUJZ-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2sccc2s1	ZINC000918487643	624437506	/nfs/dbraw/zinc/43/75/06/624437506.db2.gz	WXTXRDGJTZWBSK-QMMMGPOBSA-N	-1	0	290.369	2.564	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000829546820	624454734	/nfs/dbraw/zinc/45/47/34/624454734.db2.gz	SMZJUMCVVZIYJB-LLVKDONJSA-N	-1	0	282.388	2.513	20	30		CFEDRM
Cc1cccc(CCC(C)N=Nc2nnc(C)c(=O)[n-]2)c1	ZINC000920364007	624714408	/nfs/dbraw/zinc/71/44/08/624714408.db2.gz	LRUYBLHLXVCRGF-UHFFFAOYSA-N	-1	0	285.351	2.615	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000831042944	624955188	/nfs/dbraw/zinc/95/51/88/624955188.db2.gz	XYADQYRIJHDQQF-ZIAGYGMSSA-N	-1	0	296.411	2.875	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)o1	ZINC000170851700	624962039	/nfs/dbraw/zinc/96/20/39/624962039.db2.gz	CXRSAOYYPWFWMY-ZZXKWVIFSA-N	-1	0	290.246	2.807	20	30		CFEDRM
C=CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CC1	ZINC000831639306	625079675	/nfs/dbraw/zinc/07/96/75/625079675.db2.gz	ZCKAKTPSNXHQLH-UHFFFAOYSA-N	-1	0	274.345	2.907	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000069525788	625141729	/nfs/dbraw/zinc/14/17/29/625141729.db2.gz	PITCDWYKZOZGSI-UHFFFAOYSA-N	-1	0	299.826	2.800	20	30		CFEDRM
CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)CC(C)C	ZINC000073289734	625820238	/nfs/dbraw/zinc/82/02/38/625820238.db2.gz	UZHBYSHBWVNKGL-GFCCVEGCSA-N	-1	0	291.413	2.667	20	30		CFEDRM
CCCCCCCC(=O)N[C@@](C)(CCF)C(=O)[O-]	ZINC000851621347	634459286	/nfs/dbraw/zinc/45/92/86/634459286.db2.gz	QKZICRABYCPLQJ-ZDUSSCGKSA-N	-1	0	261.337	2.666	20	30		CFEDRM
Cc1nnc(NN=C2CC[C@@H](C)c3ccsc32)[n-]c1=O	ZINC000834925296	625925045	/nfs/dbraw/zinc/92/50/45/625925045.db2.gz	LNPQFVUAHFCMLS-SSDOTTSWSA-N	-1	0	289.364	2.661	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834934754	625926610	/nfs/dbraw/zinc/92/66/10/625926610.db2.gz	GTUPBCHCWHWZHJ-JTQLQIEISA-N	-1	0	250.298	2.598	20	30		CFEDRM
O=C([O-])CNN=C1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000834982780	625945819	/nfs/dbraw/zinc/94/58/19/625945819.db2.gz	KZLQHMWRGFHKJP-JTQLQIEISA-N	-1	0	266.728	2.638	20	30		CFEDRM
C[C@@H]1CSCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835008149	625955128	/nfs/dbraw/zinc/95/51/28/625955128.db2.gz	GQTAVAKFHBVTSD-SSDOTTSWSA-N	-1	0	268.313	2.675	20	30		CFEDRM
Cc1ccc(CN=NC2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1	ZINC000835008519	625955269	/nfs/dbraw/zinc/95/52/69/625955269.db2.gz	KNBNGRKMGXBTKV-SWLSCSKDSA-N	-1	0	274.364	2.961	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC[C@H]2CCCO)cn1	ZINC000835010045	625956978	/nfs/dbraw/zinc/95/69/78/625956978.db2.gz	MITCZWMELWESKZ-NSHDSACASA-N	-1	0	291.351	2.510	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccccc2F)CC[C@@H]1C(=O)[O-]	ZINC000835011774	625957791	/nfs/dbraw/zinc/95/77/91/625957791.db2.gz	TWENAHMVFJVYRR-MFKMUULPSA-N	-1	0	278.327	2.792	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCSC2)c(F)c1	ZINC000835011424	625958148	/nfs/dbraw/zinc/95/81/48/625958148.db2.gz	FNSDNTGMUHNOLH-MRVPVSSYSA-N	-1	0	268.313	2.675	20	30		CFEDRM
N#Cc1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000083512752	625975182	/nfs/dbraw/zinc/97/51/82/625975182.db2.gz	DBVILQZSRZAWQS-UHFFFAOYSA-N	-1	0	269.260	2.784	20	30		CFEDRM
N#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1	ZINC000921544708	625981710	/nfs/dbraw/zinc/98/17/10/625981710.db2.gz	AYGNGUUJHPOPTP-LBPRGKRZSA-N	-1	0	296.729	2.997	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1cccc(OC)c1	ZINC000084695292	626020656	/nfs/dbraw/zinc/02/06/56/626020656.db2.gz	TUVJUFGRJIILEJ-LLVKDONJSA-N	-1	0	299.392	2.885	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(C)c1	ZINC000073837622	626396431	/nfs/dbraw/zinc/39/64/31/626396431.db2.gz	QOZYAXWPWLEQJY-UHFFFAOYSA-N	-1	0	269.366	2.818	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)C1	ZINC000923057791	626448106	/nfs/dbraw/zinc/44/81/06/626448106.db2.gz	IOBBDZFBWIDBIC-DAXSKMNVSA-N	-1	0	284.315	2.663	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000923063085	626448236	/nfs/dbraw/zinc/44/82/36/626448236.db2.gz	AAEWBKVXSOKYIN-MRXNPFEDSA-N	-1	0	288.347	2.927	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000923063084	626448275	/nfs/dbraw/zinc/44/82/75/626448275.db2.gz	AAEWBKVXSOKYIN-INIZCTEOSA-N	-1	0	288.347	2.927	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000923064023	626448494	/nfs/dbraw/zinc/44/84/94/626448494.db2.gz	LMXKHGSIIUBSPJ-ZDUSSCGKSA-N	-1	0	280.711	2.917	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000923064841	626448694	/nfs/dbraw/zinc/44/86/94/626448694.db2.gz	SKKNQXCBAUBBIZ-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923104605	626451575	/nfs/dbraw/zinc/45/15/75/626451575.db2.gz	QUIVAAOWEJOTGY-XJFOESAGSA-N	-1	0	279.380	2.738	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1	ZINC000923105726	626451623	/nfs/dbraw/zinc/45/16/23/626451623.db2.gz	DMKVDYRUACWVOU-CQSZACIVSA-N	-1	0	292.360	2.985	20	30		CFEDRM
C=CCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923179612	626454708	/nfs/dbraw/zinc/45/47/08/626454708.db2.gz	SUPNNRVDBFEUGK-ZDUSSCGKSA-N	-1	0	267.369	2.740	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])[nH]1	ZINC000757469128	626552894	/nfs/dbraw/zinc/55/28/94/626552894.db2.gz	ZNYUWPVDVRMQLR-QPJJXVBHSA-N	-1	0	289.262	2.542	20	30		CFEDRM
O=C(/C=C/c1cccnc1)c1cc(F)cc(F)c1[O-]	ZINC000757475059	626553192	/nfs/dbraw/zinc/55/31/92/626553192.db2.gz	VUSCCYAFQJKXIH-ONEGZZNKSA-N	-1	0	261.227	2.962	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NOCc2ccc(F)cc2)cc1[O-]	ZINC000758143425	626579032	/nfs/dbraw/zinc/57/90/32/626579032.db2.gz	RAGGJWOOOKNIPB-UHFFFAOYSA-N	-1	0	290.250	2.990	20	30		CFEDRM
CC(CC1CCC1)=NNc1cnnc([O-])c1Cl	ZINC000758373757	626590354	/nfs/dbraw/zinc/59/03/54/626590354.db2.gz	IZILYXJRPRTHKD-UHFFFAOYSA-N	-1	0	254.721	2.814	20	30		CFEDRM
N#CC(=C([O-])c1cc(Cl)cs1)c1ccncn1	ZINC000759641222	626679217	/nfs/dbraw/zinc/67/92/17/626679217.db2.gz	AZFZDJUMLYFZMU-QMMMGPOBSA-N	-1	0	263.709	2.682	20	30		CFEDRM
Cc1cc(C)c(C=NNc2cccc(C(=O)[O-])c2)[nH]1	ZINC000760216587	626720088	/nfs/dbraw/zinc/72/00/88/626720088.db2.gz	QMJICUZYDFXDFK-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
CCC(N=Nc1oc(C)nc1C#N)c1ccc(C(=O)[O-])cc1	ZINC000760254882	626724974	/nfs/dbraw/zinc/72/49/74/626724974.db2.gz	WSNZKRSZIBEFJU-UHFFFAOYSA-N	-1	0	298.302	2.779	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc2sccc2c1	ZINC000761037759	626792922	/nfs/dbraw/zinc/79/29/22/626792922.db2.gz	OEPXNWZTBKUYDL-LBPRGKRZSA-N	-1	0	284.340	2.502	20	30		CFEDRM
CCOC(=O)c1csc(C(C#N)=C([O-])C2=CCCC2)n1	ZINC000761111514	626806635	/nfs/dbraw/zinc/80/66/35/626806635.db2.gz	PSJDXWNSHRITTA-SNVBAGLBSA-N	-1	0	290.344	2.606	20	30		CFEDRM
Cc1sc(Cl)nc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000762893879	626947959	/nfs/dbraw/zinc/94/79/59/626947959.db2.gz	UBBAYIPXPXAGPM-UHFFFAOYSA-N	-1	0	293.735	2.935	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCc3ccccc3C2)nc1	ZINC000763367961	626983015	/nfs/dbraw/zinc/98/30/15/626983015.db2.gz	JOKSXWOKDDBCPM-UHFFFAOYSA-N	-1	0	281.315	2.737	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc3ccccc3n2)nc1	ZINC000763369471	626983614	/nfs/dbraw/zinc/98/36/14/626983614.db2.gz	GUNSGOGJRYWXIM-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
N#CCc1ccnc(NC(=O)c2c([O-])cccc2Cl)c1	ZINC000764348579	627052715	/nfs/dbraw/zinc/05/27/15/627052715.db2.gz	MJQJZCLOOIDKBN-UHFFFAOYSA-N	-1	0	287.706	2.759	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(C=NOCC(F)(F)F)c1[O-]	ZINC000764844114	627100696	/nfs/dbraw/zinc/10/06/96/627100696.db2.gz	GONUGFNWRZEJBH-UHFFFAOYSA-N	-1	0	298.604	2.867	20	30		CFEDRM
Cc1ccc(C=NNc2ccccc2C(=O)[O-])cn1	ZINC000764900865	627105427	/nfs/dbraw/zinc/10/54/27/627105427.db2.gz	QMVKXLZSDVXVPM-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)C(F)F)C(F)(F)F	ZINC000767100367	627235208	/nfs/dbraw/zinc/23/52/08/627235208.db2.gz	AMZDELKMAZCIGC-CRCLSJGQSA-N	-1	0	283.187	2.980	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2cncs2)ccc1Cl	ZINC000767744091	627281750	/nfs/dbraw/zinc/28/17/50/627281750.db2.gz	XSUUXTKGACBXFG-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
N#CCN(Cc1cccc(Br)c1[O-])C1CC1	ZINC000769096862	627402405	/nfs/dbraw/zinc/40/24/05/627402405.db2.gz	LMLWZRJDZXZIOD-UHFFFAOYSA-N	-1	0	281.153	2.643	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cscn2)cc1	ZINC000769266539	627417447	/nfs/dbraw/zinc/41/74/47/627417447.db2.gz	XIMQKSBHECNXMU-ZZXKWVIFSA-N	-1	0	259.286	2.737	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1	ZINC000769480011	627446409	/nfs/dbraw/zinc/44/64/09/627446409.db2.gz	WWGLEIQBLKOJSL-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1	ZINC000770570832	627530758	/nfs/dbraw/zinc/53/07/58/627530758.db2.gz	KMFKRILCGAFWBO-PLNGDYQASA-N	-1	0	290.344	2.638	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000770862372	627552078	/nfs/dbraw/zinc/55/20/78/627552078.db2.gz	MNGRWDBXZAGBOV-AGIUHOORSA-N	-1	0	287.363	2.528	20	30		CFEDRM
CCC1(O)CCC(/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000771518703	627611387	/nfs/dbraw/zinc/61/13/87/627611387.db2.gz	AMFDYDBIUWBQHS-MHWRWJLKSA-N	-1	0	292.335	2.803	20	30		CFEDRM
CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])o1	ZINC000772991274	627765290	/nfs/dbraw/zinc/76/52/90/627765290.db2.gz	STGBOKRHJCQBEN-UHFFFAOYSA-N	-1	0	289.247	2.722	20	30		CFEDRM
CC(N=Nc1nncc2ccccc21)c1ccc(C(=O)[O-])o1	ZINC000772999972	627767080	/nfs/dbraw/zinc/76/70/80/627767080.db2.gz	WKXVZIQGCCGTRB-UHFFFAOYSA-N	-1	0	296.286	2.757	20	30		CFEDRM
COc1ccc(NN=C(C)c2ccc(C(=O)[O-])o2)cc1	ZINC000773066499	627777783	/nfs/dbraw/zinc/77/77/83/627777783.db2.gz	AGBGRTDPUHGHGR-UHFFFAOYSA-N	-1	0	274.276	2.823	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774143890	627893116	/nfs/dbraw/zinc/89/31/16/627893116.db2.gz	YJCHFNBMQMYYOS-WAYWQWQTSA-N	-1	0	267.284	2.984	20	30		CFEDRM
N#Cc1ccc(CCCN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000774395491	627921372	/nfs/dbraw/zinc/92/13/72/627921372.db2.gz	DKLKVSHHWRQWFO-UHFFFAOYSA-N	-1	0	294.314	2.682	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NOC1CCOCC1	ZINC000774436291	627925610	/nfs/dbraw/zinc/92/56/10/627925610.db2.gz	YKGVHGQQAXNBQI-UHFFFAOYSA-N	-1	0	255.701	2.575	20	30		CFEDRM
CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(Cl)c1[O-]	ZINC000775773382	628065374	/nfs/dbraw/zinc/06/53/74/628065374.db2.gz	ZWNGOOWDUSEHRW-SNVBAGLBSA-N	-1	0	266.728	2.714	20	30		CFEDRM
N#CCSCCCOC(=O)c1cc([S-])ccc1F	ZINC000805554954	628087429	/nfs/dbraw/zinc/08/74/29/628087429.db2.gz	IRSSRRSBOBYTQC-UHFFFAOYSA-N	-1	0	285.365	2.918	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2cscn2)c1	ZINC000776191304	628114339	/nfs/dbraw/zinc/11/43/39/628114339.db2.gz	GBHKQIRZLPTLLN-PLNGDYQASA-N	-1	0	289.312	2.503	20	30		CFEDRM
Cc1ncsc1C=CC(=O)[C@@H](C#N)c1cc(C)nc(C)n1	ZINC000777292031	628212262	/nfs/dbraw/zinc/21/22/62/628212262.db2.gz	DXJNZMIOLZLORI-RXNFCKPNSA-N	-1	0	298.371	2.748	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NOC2CCCCC2)ccc1[O-]	ZINC000777457153	628227778	/nfs/dbraw/zinc/22/77/78/628227778.db2.gz	NCLLFAASFAPUEA-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NOCCC(F)(F)F)cc1[O-]	ZINC000777463012	628228775	/nfs/dbraw/zinc/22/87/75/628228775.db2.gz	VYBQTBWJXYKHQA-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779358467	628376748	/nfs/dbraw/zinc/37/67/48/628376748.db2.gz	QWRQXCVIHNMKOO-KRXBUXKQSA-N	-1	0	298.294	2.995	20	30		CFEDRM
Cc1nnc(N=NC(C)C[C@H](C)CC(C)C)[n-]c1=O	ZINC000779759196	628400415	/nfs/dbraw/zinc/40/04/15/628400415.db2.gz	FARNDRSBAGZERU-SECBINFHSA-N	-1	0	265.361	2.746	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cc(Cl)cs2)nc1	ZINC000782265472	628621005	/nfs/dbraw/zinc/62/10/05/628621005.db2.gz	AYIRRSNQDWJJHM-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC(C)(C)CCNN=Cc1ccccc1OCC(=O)[O-]	ZINC000782907669	628663027	/nfs/dbraw/zinc/66/30/27/628663027.db2.gz	MSETVUNNCXCVLI-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
CC(C)(C)CCNN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000782906980	628663231	/nfs/dbraw/zinc/66/32/31/628663231.db2.gz	HUXUCLUNMAERRE-UHFFFAOYSA-N	-1	0	265.313	2.660	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccnc(C3CC3)c2)c1	ZINC000783592162	628724509	/nfs/dbraw/zinc/72/45/09/628724509.db2.gz	DRCAIWAYVFAFPO-UHFFFAOYSA-N	-1	0	279.299	2.789	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cnccn2)c(Cl)c1	ZINC000783708412	628737018	/nfs/dbraw/zinc/73/70/18/628737018.db2.gz	YJNLHOHQQWLULQ-ARJAWSKDSA-N	-1	0	288.690	2.724	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1[O-]	ZINC000785415564	628881181	/nfs/dbraw/zinc/88/11/81/628881181.db2.gz	JLEGEKOUENONNS-UHFFFAOYSA-N	-1	0	296.330	2.828	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1C	ZINC000788436688	629066595	/nfs/dbraw/zinc/06/65/95/629066595.db2.gz	DXGXWKCIARGSOG-CQSZACIVSA-N	-1	0	277.320	2.960	20	30		CFEDRM
C#CCCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000788679837	629091504	/nfs/dbraw/zinc/09/15/04/629091504.db2.gz	IACSGPJKKQQCCB-INIZCTEOSA-N	-1	0	279.380	2.577	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NNC2CCCC2)c2ccccc21	ZINC000789004177	629116246	/nfs/dbraw/zinc/11/62/46/629116246.db2.gz	OXZTVWYHTMVNAK-AWEZNQCLSA-N	-1	0	272.348	2.885	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC1(C)C	ZINC000789033332	629119428	/nfs/dbraw/zinc/11/94/28/629119428.db2.gz	HPCYEQLUDWQRNI-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
Cn1ccnc1NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000790305319	629228837	/nfs/dbraw/zinc/22/88/37/629228837.db2.gz	JUIMOOKDOZIBRP-UHFFFAOYSA-N	-1	0	285.134	2.879	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)c2cccs2)CCCC1	ZINC000835028272	629322371	/nfs/dbraw/zinc/32/23/71/629322371.db2.gz	KZTFIFBZTMDBKT-UHFFFAOYSA-N	-1	0	299.417	2.690	20	30		CFEDRM
CCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000835064729	629367515	/nfs/dbraw/zinc/36/75/15/629367515.db2.gz	KEVXMSHSJBBJLN-CYBMUJFWSA-N	-1	0	298.342	2.842	20	30		CFEDRM
N#C[C@]1(F)CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000792181196	629406758	/nfs/dbraw/zinc/40/67/58/629406758.db2.gz	XVSNWRIIKWTIEE-GFCCVEGCSA-N	-1	0	272.682	2.622	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000792866926	629460209	/nfs/dbraw/zinc/46/02/09/629460209.db2.gz	QCFXYQJJBNHCSJ-UHFFFAOYSA-N	-1	0	299.286	2.933	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2ccc(C)cc2)C1)C(=O)[O-]	ZINC000793058595	629481631	/nfs/dbraw/zinc/48/16/31/629481631.db2.gz	WGKSCCYXAFLALN-TYZXPVIJSA-N	-1	0	260.337	2.681	20	30		CFEDRM
CC[C@H](NN=C(C)CCc1ccccc1F)C(=O)[O-]	ZINC000793071738	629482944	/nfs/dbraw/zinc/48/29/44/629482944.db2.gz	GQKVCIBTGJBVGS-ZDUSSCGKSA-N	-1	0	266.316	2.587	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)C(=NN[C@H](CC)C(=O)[O-])C1	ZINC000793070552	629482945	/nfs/dbraw/zinc/48/29/45/629482945.db2.gz	CIIXTXKBFBWLRD-VXGBXAGGSA-N	-1	0	250.342	2.728	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cccc(Br)c1)C(=O)[O-]	ZINC000793072276	629483044	/nfs/dbraw/zinc/48/30/44/629483044.db2.gz	MXWHQGPEWVLLHL-LLVKDONJSA-N	-1	0	299.168	2.626	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(C)c(OC)c(Cl)c1)C(=O)[O-]	ZINC000793072535	629483048	/nfs/dbraw/zinc/48/30/48/629483048.db2.gz	SWPDZLQVCMWRIC-LBPRGKRZSA-N	-1	0	298.770	2.834	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Cl)c2cccnc12)C(=O)[O-]	ZINC000793073317	629483531	/nfs/dbraw/zinc/48/35/31/629483531.db2.gz	SDRSXEQVZCKAHC-LBPRGKRZSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CCc1cccc(Cl)c1C=NN[C@@H](CC)C(=O)[O-]	ZINC000793073545	629483900	/nfs/dbraw/zinc/48/39/00/629483900.db2.gz	XGRORNICYJZNCK-LBPRGKRZSA-N	-1	0	268.744	2.689	20	30		CFEDRM
CCCCOc1ccccc1C=NN[C@H](CC)C(=O)[O-]	ZINC000793079777	629484116	/nfs/dbraw/zinc/48/41/16/629484116.db2.gz	TZHGFUBXKWIJRM-CYBMUJFWSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000793080334	629485178	/nfs/dbraw/zinc/48/51/78/629485178.db2.gz	XHHINVYBXKTCCP-AWEZNQCLSA-N	-1	0	262.353	2.987	20	30		CFEDRM
CC[C@@H](NN=C(C)CCc1cccc(C)c1)C(=O)[O-]	ZINC000793082047	629486018	/nfs/dbraw/zinc/48/60/18/629486018.db2.gz	UGWRJRFBMWUHFQ-CQSZACIVSA-N	-1	0	262.353	2.756	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(-c2cccs2)o1	ZINC000794028244	629612130	/nfs/dbraw/zinc/61/21/30/629612130.db2.gz	GCYSXELORRUYNC-UHFFFAOYSA-N	-1	0	299.377	2.506	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@H](CC(C)C)C2)[n-]c1=O	ZINC000794474902	629648867	/nfs/dbraw/zinc/64/88/67/629648867.db2.gz	VQWALZVTNBMTMZ-LLVKDONJSA-N	-1	0	277.372	2.890	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc3c2CCO3)c1	ZINC000794832335	629691513	/nfs/dbraw/zinc/69/15/13/629691513.db2.gz	HMDLGYRSYPGMOQ-UHFFFAOYSA-N	-1	0	284.271	2.986	20	30		CFEDRM
C[C@@H]1CSCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000794857893	629696161	/nfs/dbraw/zinc/69/61/61/629696161.db2.gz	YYTBZBULENIJBO-MRVPVSSYSA-N	-1	0	250.323	2.536	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1	ZINC000835450449	629734969	/nfs/dbraw/zinc/73/49/69/629734969.db2.gz	ZWNWHIJSJIIMLS-YNEHKIRRSA-N	-1	0	299.436	2.613	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)cc1Cl	ZINC000796630597	629943218	/nfs/dbraw/zinc/94/32/18/629943218.db2.gz	QAPVDGJAUSRAQQ-GFCCVEGCSA-N	-1	0	292.766	2.804	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cs1	ZINC000796789172	629967870	/nfs/dbraw/zinc/96/78/70/629967870.db2.gz	MQEDSNLOCVCGEI-CYBMUJFWSA-N	-1	0	290.388	2.828	20	30		CFEDRM
Cc1oc(C(C)C)cc1C([O-])=C(C#N)C(=O)NC(C)C	ZINC000796791768	629968308	/nfs/dbraw/zinc/96/83/08/629968308.db2.gz	HMOOLSAVGCPZMS-LBPRGKRZSA-N	-1	0	276.336	2.559	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(CC)cc1	ZINC000797076924	630013399	/nfs/dbraw/zinc/01/33/99/630013399.db2.gz	MLLVYJXIOZEHLX-UHFFFAOYSA-N	-1	0	295.404	2.656	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCCCCC1CCCC1	ZINC000797724709	630097757	/nfs/dbraw/zinc/09/77/57/630097757.db2.gz	PWGLSYQJGKRGDN-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C#Cc1cccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c1	ZINC000797736831	630098482	/nfs/dbraw/zinc/09/84/82/630098482.db2.gz	HDQQGHVVSQBMNN-NSHDSACASA-N	-1	0	286.331	2.527	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(CSC)c1	ZINC000797742740	630098550	/nfs/dbraw/zinc/09/85/50/630098550.db2.gz	DUBHUQCQEWDXHM-UHFFFAOYSA-N	-1	0	294.376	2.654	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1sccc1Cl	ZINC000835943307	630169786	/nfs/dbraw/zinc/16/97/86/630169786.db2.gz	DAPXILHGXLDBKP-UHFFFAOYSA-N	-1	0	293.797	2.563	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccoc1C1CC1	ZINC000798816633	630241337	/nfs/dbraw/zinc/24/13/37/630241337.db2.gz	NVVBHVYXRHSFPE-ZDUSSCGKSA-N	-1	0	286.331	2.538	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CCC	ZINC000798815332	630241500	/nfs/dbraw/zinc/24/15/00/630241500.db2.gz	PXGNMKDAWZFKBP-ZDUSSCGKSA-N	-1	0	290.363	2.861	20	30		CFEDRM
COCC[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000799864987	630349087	/nfs/dbraw/zinc/34/90/87/630349087.db2.gz	BIKQUYAXBKCLQJ-LLVKDONJSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CC(C)OCC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000799865830	630349835	/nfs/dbraw/zinc/34/98/35/630349835.db2.gz	MLIWDDIOSMBNRW-UHFFFAOYSA-N	-1	0	250.298	2.598	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558397	630811120	/nfs/dbraw/zinc/81/11/20/630811120.db2.gz	BFTXPQRNEACDKJ-SREVYHEPSA-N	-1	0	270.288	2.621	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cncs2)c1	ZINC000806558800	630811191	/nfs/dbraw/zinc/81/11/91/630811191.db2.gz	MGIKPVKYNKDKHZ-PLNGDYQASA-N	-1	0	259.286	2.737	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C1/C[C@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806562718	630812374	/nfs/dbraw/zinc/81/23/74/630812374.db2.gz	OFKAWUFRXCQVTR-QARUFBMTSA-N	-1	0	296.326	2.865	20	30		CFEDRM
CC[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1OC	ZINC000807982111	630929815	/nfs/dbraw/zinc/92/98/15/630929815.db2.gz	RYMLDRZSSXCXJC-SECBINFHSA-N	-1	0	262.309	2.981	20	30		CFEDRM
C=CCO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC000837044355	630943264	/nfs/dbraw/zinc/94/32/64/630943264.db2.gz	ZJIVUQAPJZKNLB-MELADBBJSA-N	-1	0	269.385	2.698	20	30		CFEDRM
C=CCO[N-]C(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC000837044351	630943434	/nfs/dbraw/zinc/94/34/34/630943434.db2.gz	ZJIVUQAPJZKNLB-BFHYXJOUSA-N	-1	0	269.385	2.698	20	30		CFEDRM
C=CCO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC000837044353	630943502	/nfs/dbraw/zinc/94/35/02/630943502.db2.gz	ZJIVUQAPJZKNLB-HZSPNIEDSA-N	-1	0	269.385	2.698	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(Br)c2)CC1	ZINC000837042871	630943548	/nfs/dbraw/zinc/94/35/48/630943548.db2.gz	GSUGDHNZCPXSMG-UHFFFAOYSA-N	-1	0	296.164	2.715	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccccc1Cl	ZINC000837045962	630944112	/nfs/dbraw/zinc/94/41/12/630944112.db2.gz	CAIUQRIKLLQMTJ-UHFFFAOYSA-N	-1	0	253.729	2.851	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](c1ccc(F)cc1)C(C)C	ZINC000837045825	630944400	/nfs/dbraw/zinc/94/44/00/630944400.db2.gz	BGEQUMCJDNIOCF-ZDUSSCGKSA-N	-1	0	251.301	2.799	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](OC1CCCC1)c1ccccc1	ZINC000837046998	630945254	/nfs/dbraw/zinc/94/52/54/630945254.db2.gz	UKQNLRVHAGFMHQ-HNNXBMFYSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)c1ccc(Br)s1	ZINC000837048840	630946425	/nfs/dbraw/zinc/94/64/25/630946425.db2.gz	YQCSKXJJMSHKDP-SSDOTTSWSA-N	-1	0	290.182	2.848	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000837266610	630990044	/nfs/dbraw/zinc/99/00/44/630990044.db2.gz	SXHPKXDQYKUAIL-UHFFFAOYSA-N	-1	0	253.248	2.658	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1	ZINC000042250706	649997246	/nfs/dbraw/zinc/99/72/46/649997246.db2.gz	YCSUMZULPAZJGG-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NCCCCCC(=O)[O-]	ZINC000841505121	631418208	/nfs/dbraw/zinc/41/82/08/631418208.db2.gz	UBQVGKJVBPZBHH-UHFFFAOYSA-N	-1	0	274.320	2.818	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(F)(F)F)c(C)c1)C(=O)[O-]	ZINC000841642320	631442074	/nfs/dbraw/zinc/44/20/74/631442074.db2.gz	NLCLMEFQHVXALB-NSHDSACASA-N	-1	0	288.269	2.801	20	30		CFEDRM
CC#CCS(=O)(=O)[N-]C(=O)CCCCCCCCC	ZINC000810776362	631443948	/nfs/dbraw/zinc/44/39/48/631443948.db2.gz	PYNIPQJBEZNFOR-UHFFFAOYSA-N	-1	0	287.425	2.596	20	30		CFEDRM
CCCCCC[C@@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000841800573	631472536	/nfs/dbraw/zinc/47/25/36/631472536.db2.gz	HJCJPIZVOUFSSU-CQSZACIVSA-N	-1	0	295.408	2.918	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@](C)(CC)CCC)CC1	ZINC000810981071	631490417	/nfs/dbraw/zinc/49/04/17/631490417.db2.gz	LHXQGLSFNDQRRO-CYBMUJFWSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2)CC1	ZINC000810989088	631491229	/nfs/dbraw/zinc/49/12/29/631491229.db2.gz	ZTTURNOQAHYFMI-UHFFFAOYSA-N	-1	0	299.779	2.508	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](C)C(CC)CC)CC1	ZINC000810983349	631491261	/nfs/dbraw/zinc/49/12/61/631491261.db2.gz	QWVVVXLFGNSTJK-LLVKDONJSA-N	-1	0	287.425	2.613	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1O	ZINC000811697578	631608224	/nfs/dbraw/zinc/60/82/24/631608224.db2.gz	FOYTUDVJVDMOCZ-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOC2CCC2)c2ccccc21	ZINC000812237137	631674706	/nfs/dbraw/zinc/67/47/06/631674706.db2.gz	LVCGFBRJLXGPNR-CYBMUJFWSA-N	-1	0	259.305	2.922	20	30		CFEDRM
CC(=NOCCOC(C)C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000812237907	631675856	/nfs/dbraw/zinc/67/58/56/631675856.db2.gz	OOOKUEXLOAIZTD-UHFFFAOYSA-N	-1	0	294.351	2.562	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(F)cc1	ZINC000812750325	631767248	/nfs/dbraw/zinc/76/72/48/631767248.db2.gz	SATKTMHODFUWQV-CQSZACIVSA-N	-1	0	287.265	2.775	20	30		CFEDRM
O=C(/C=C/c1cnn(CC(F)F)c1)c1cc(F)ccc1[O-]	ZINC000814189975	632028725	/nfs/dbraw/zinc/02/87/25/632028725.db2.gz	MDJGVTRTOTUYKT-HNQUOIGGSA-N	-1	0	296.248	2.889	20	30		CFEDRM
Cc1ccccc1-c1cccc(C=Nn2c(=O)[n-][nH]c2=O)c1	ZINC000814231927	632041637	/nfs/dbraw/zinc/04/16/37/632041637.db2.gz	ILBYKOUUJOJQMJ-UHFFFAOYSA-N	-1	0	294.314	2.547	20	30		CFEDRM
CC(=NOCCC1CC1)c1cc(C(=O)[O-])ccc1O	ZINC000814245614	632044857	/nfs/dbraw/zinc/04/48/57/632044857.db2.gz	ZVRBOADCSPWERM-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000856027817	635703088	/nfs/dbraw/zinc/70/30/88/635703088.db2.gz	BKZOYAAFCWCPOX-CYBMUJFWSA-N	-1	0	297.395	2.758	20	30		CFEDRM
CCc1cnc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000814680676	632106929	/nfs/dbraw/zinc/10/69/29/632106929.db2.gz	CVUDDXQLBYUIHH-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
O=C([O-])c1cccc(NN=C2COc3ccccc32)c1	ZINC000814687193	632109150	/nfs/dbraw/zinc/10/91/50/632109150.db2.gz	BKZAMMIZDODKNR-UHFFFAOYSA-N	-1	0	268.272	2.593	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(N=Nc2ccccn2)C1	ZINC000814731758	632115010	/nfs/dbraw/zinc/11/50/10/632115010.db2.gz	IAWIZXJGTMDODY-UHFFFAOYSA-N	-1	0	281.315	2.666	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000814763793	632119832	/nfs/dbraw/zinc/11/98/32/632119832.db2.gz	LNTRZCCYJHPLRQ-ZYHUDNBSSA-N	-1	0	299.440	2.518	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2oncc2c1	ZINC000814769177	632121017	/nfs/dbraw/zinc/12/10/17/632121017.db2.gz	VDIILJFYVZQYIH-UHFFFAOYSA-N	-1	0	281.271	2.972	20	30		CFEDRM
CCc1cnc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000814769138	632121044	/nfs/dbraw/zinc/12/10/44/632121044.db2.gz	UFZFMPLBJDWAFM-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
Cc1cc(N=NCc2cccc(O)c2Cl)nc(C)n1	ZINC000814807483	632128688	/nfs/dbraw/zinc/12/86/88/632128688.db2.gz	YFWSWSIMPKSVJT-UHFFFAOYSA-N	-1	0	276.727	2.898	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2ncccc2Cl)c1	ZINC000814810891	632130188	/nfs/dbraw/zinc/13/01/88/632130188.db2.gz	YPCBZTJSBCZOMV-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](CC(=O)[O-])[C@H]2C)nc1	ZINC000814831983	632134540	/nfs/dbraw/zinc/13/45/40/632134540.db2.gz	ZRDMKSMVXLONPJ-GHMZBOCLSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(F)cn2)CC[C@H]1CC(=O)[O-]	ZINC000814842420	632137011	/nfs/dbraw/zinc/13/70/11/632137011.db2.gz	HFBOKSADLWKERV-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc(F)cn1	ZINC000814842959	632137149	/nfs/dbraw/zinc/13/71/49/632137149.db2.gz	WGAAKUXRCNTFLV-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
O=c1[n-]c(N=NC2CC3(CC3)C2)nc2ccccc21	ZINC000814868719	632142998	/nfs/dbraw/zinc/14/29/98/632142998.db2.gz	GIQUMYFBNPNIOF-UHFFFAOYSA-N	-1	0	254.293	2.677	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814872896	632145213	/nfs/dbraw/zinc/14/52/13/632145213.db2.gz	CVAAKTZLDNYMRK-JSGCOSHPSA-N	-1	0	274.364	2.961	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c1	ZINC000814872898	632145289	/nfs/dbraw/zinc/14/52/89/632145289.db2.gz	CVAAKTZLDNYMRK-TZMCWYRMSA-N	-1	0	274.364	2.961	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1C[C@H](C)[C@@H]1C	ZINC000814887554	632149896	/nfs/dbraw/zinc/14/98/96/632149896.db2.gz	SMENCFBIBGUQQM-IUCAKERBSA-N	-1	0	262.309	2.837	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NO[C@H]1CCCCO1)CC2	ZINC000814887808	632150211	/nfs/dbraw/zinc/15/02/11/632150211.db2.gz	RHEVNIQUWUTGLF-HNNXBMFYSA-N	-1	0	289.331	2.773	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cccc3cc[nH]c32)nc1	ZINC000814889409	632150562	/nfs/dbraw/zinc/15/05/62/632150562.db2.gz	LRVWUJNYRKETGX-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC[C@@H]2CCCO)nc1	ZINC000814890668	632150571	/nfs/dbraw/zinc/15/05/71/632150571.db2.gz	URIIBSUNVXJLBI-LLVKDONJSA-N	-1	0	291.351	2.510	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(N=Nc1ccnc(F)c1)CC2	ZINC000814902150	632156076	/nfs/dbraw/zinc/15/60/76/632156076.db2.gz	GEKXTOJTKYZDHB-UHFFFAOYSA-N	-1	0	299.305	2.876	20	30		CFEDRM
COc1ccc(NN=C(C)c2cc(C(=O)[O-])cs2)nc1	ZINC000814908684	632160209	/nfs/dbraw/zinc/16/02/09/632160209.db2.gz	AWIJYANBZSUIQX-UHFFFAOYSA-N	-1	0	291.332	2.686	20	30		CFEDRM
C[C@H]1CC(N=Nc2ncccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814927560	632168156	/nfs/dbraw/zinc/16/81/56/632168156.db2.gz	UQXZECIRNIUGSW-WPRPVWTQSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncccc1F	ZINC000814927291	632168244	/nfs/dbraw/zinc/16/82/44/632168244.db2.gz	GLBKHRLUVJLERH-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1CC(N=Nc2cccc(F)n2)CC[C@@H]1C(=O)[O-]	ZINC000814927698	632168445	/nfs/dbraw/zinc/16/84/45/632168445.db2.gz	AODKOCRQZLFXGW-SCZZXKLOSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C(=NN[C@@H]2CCSC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814933557	632172087	/nfs/dbraw/zinc/17/20/87/632172087.db2.gz	RUFAMENWWXECDG-GMTAPVOTSA-N	-1	0	284.425	2.594	20	30		CFEDRM
C[C@@H](NN=C1CC[C@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C	ZINC000814937343	632174552	/nfs/dbraw/zinc/17/45/52/632174552.db2.gz	CMVHZAWAIOTZRD-FOGDFJRCSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC(=NOCCC1CC1)c1csc(C(=O)[O-])c1	ZINC000814941852	632175924	/nfs/dbraw/zinc/17/59/24/632175924.db2.gz	WXJKXUULYIWERN-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
CC(CC(C)(C)c1c[nH]c2ccccc21)=NNCC(=O)[O-]	ZINC000814956808	632179221	/nfs/dbraw/zinc/17/92/21/632179221.db2.gz	LYJQFXWGTUBLGQ-UHFFFAOYSA-N	-1	0	287.363	2.886	20	30		CFEDRM
COc1ccc(C(CCC(C)C)=NNCC(=O)[O-])cc1	ZINC000814957205	632179283	/nfs/dbraw/zinc/17/92/83/632179283.db2.gz	WSIIKUQQKLIMGQ-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
O=C([O-])CNN=C1CCC(C2CCCCC2)CC1	ZINC000814958233	632179974	/nfs/dbraw/zinc/17/99/74/632179974.db2.gz	GMJPOMMXZOCHJM-UHFFFAOYSA-N	-1	0	252.358	2.787	20	30		CFEDRM
CCC(=NNCC(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000814960995	632180375	/nfs/dbraw/zinc/18/03/75/632180375.db2.gz	VHTNZOPTEVMHLZ-UHFFFAOYSA-N	-1	0	275.135	2.782	20	30		CFEDRM
CCC(=NNc1cccc(C(=O)[O-])c1C)c1cnn(C)c1	ZINC000844623341	632266995	/nfs/dbraw/zinc/26/69/95/632266995.db2.gz	IWMXADHPEYSQSE-UHFFFAOYSA-N	-1	0	286.335	2.653	20	30		CFEDRM
CCc1ccc(C#CC(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000815878016	632327639	/nfs/dbraw/zinc/32/76/39/632327639.db2.gz	PIXKXTBLTFJDSH-UHFFFAOYSA-N	-1	0	290.322	2.816	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cocn1	ZINC000105754649	632362465	/nfs/dbraw/zinc/36/24/65/632362465.db2.gz	VZMLDIMLBIULTR-LLVKDONJSA-N	-1	0	293.282	2.670	20	30		CFEDRM
COCCN(CCC#N)Cc1ccc2ccccc2c1O	ZINC000816503932	632473667	/nfs/dbraw/zinc/47/36/67/632473667.db2.gz	RTDRLNPIKDXGFT-UHFFFAOYSA-N	-1	0	284.359	2.907	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@@H](C#N)CCc1ccccc1	ZINC000816981694	632544066	/nfs/dbraw/zinc/54/40/66/632544066.db2.gz	XWTVGIPPTLKYNO-UKRRQHHQSA-N	-1	0	274.364	2.853	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@H](C#N)CCc1ccccc1	ZINC000816981693	632544958	/nfs/dbraw/zinc/54/49/58/632544958.db2.gz	XWTVGIPPTLKYNO-HIFRSBDPSA-N	-1	0	274.364	2.853	20	30		CFEDRM
CO[C@H](C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845843115	632578066	/nfs/dbraw/zinc/57/80/66/632578066.db2.gz	XUQFEADXUJRVSS-MWLCHTKSSA-N	-1	0	291.372	2.553	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc(C2CCC2)c1	ZINC000846157272	632649036	/nfs/dbraw/zinc/64/90/36/632649036.db2.gz	SVSDNKYVBVAVQW-NSHDSACASA-N	-1	0	288.347	2.515	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(C)cc1Cl	ZINC000846157788	632649984	/nfs/dbraw/zinc/64/99/84/632649984.db2.gz	XGKMQWNXFWETFD-JTQLQIEISA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1csc(CCCC)n1	ZINC000846263856	632676952	/nfs/dbraw/zinc/67/69/52/632676952.db2.gz	ZLIWINRXSJHKRJ-UHFFFAOYSA-N	-1	0	268.382	2.558	20	30		CFEDRM
Cc1c(F)cccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000817712264	632689776	/nfs/dbraw/zinc/68/97/76/632689776.db2.gz	JTUVAQKXXYORNI-ZDUSSCGKSA-N	-1	0	288.322	2.515	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)c1ccc(OC)cc1	ZINC000846536010	632725155	/nfs/dbraw/zinc/72/51/55/632725155.db2.gz	POGPLVIEIUDODW-AWEZNQCLSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc2c(c1)CCCC2	ZINC000846536310	632725431	/nfs/dbraw/zinc/72/54/31/632725431.db2.gz	GJFFNPROJQBMAS-UHFFFAOYSA-N	-1	0	275.348	2.568	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)Oc1ccccc1C	ZINC000846537356	632726229	/nfs/dbraw/zinc/72/62/29/632726229.db2.gz	KWXRSIDGQYPWMK-ZDUSSCGKSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cn1c(C)cc2ccccc21	ZINC000846540448	632729316	/nfs/dbraw/zinc/72/93/16/632729316.db2.gz	VPPCEGLKAFOXJP-UHFFFAOYSA-N	-1	0	258.321	2.574	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccccc1C	ZINC000846542215	632731225	/nfs/dbraw/zinc/73/12/25/632731225.db2.gz	WZSDDGCETYMREM-LLVKDONJSA-N	-1	0	251.351	2.709	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846543091	632732260	/nfs/dbraw/zinc/73/22/60/632732260.db2.gz	KPNLUHLEPNXBMU-ZJUUUORDSA-N	-1	0	296.348	2.698	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cn1c(C)cc2ccccc21	ZINC000846542939	632732268	/nfs/dbraw/zinc/73/22/68/632732268.db2.gz	JKEFBQNRVNESJY-LBPRGKRZSA-N	-1	0	258.321	2.572	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1SCCc2sccc21	ZINC000846544969	632732754	/nfs/dbraw/zinc/73/27/54/632732754.db2.gz	DBEQWVHPVGTXJZ-KWQFWETISA-N	-1	0	269.391	2.701	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1SCCc2sccc21	ZINC000846544972	632733287	/nfs/dbraw/zinc/73/32/87/632733287.db2.gz	DBEQWVHPVGTXJZ-LDYMZIIASA-N	-1	0	269.391	2.701	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)OC1CCCCCC1	ZINC000846546918	632734890	/nfs/dbraw/zinc/73/48/90/632734890.db2.gz	GZBQAOUDIWYYTO-VXGBXAGGSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cc(C)cc(C)c2)CC1	ZINC000846549359	632737256	/nfs/dbraw/zinc/73/72/56/632737256.db2.gz	JSUYKCWYIPVROV-CYBMUJFWSA-N	-1	0	259.349	2.957	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CCCC)ON=C(C)C	ZINC000846549478	632737556	/nfs/dbraw/zinc/73/75/56/632737556.db2.gz	NWRGVHKDWIMOEO-VXGBXAGGSA-N	-1	0	256.346	2.580	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)OC1CCCCC1	ZINC000846550534	632738491	/nfs/dbraw/zinc/73/84/91/632738491.db2.gz	YALDHCGDLMOXDH-DGCLKSJQSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccnc2)CCCC1	ZINC000846552214	632739793	/nfs/dbraw/zinc/73/97/93/632739793.db2.gz	CLEYKFUUGMKPIA-GFCCVEGCSA-N	-1	0	260.337	2.516	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846555264	632742255	/nfs/dbraw/zinc/74/22/55/632742255.db2.gz	TWODVZHPJLQJRO-RDDDGLTNSA-N	-1	0	290.146	2.649	20	30		CFEDRM
CC[C@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000847412922	632984384	/nfs/dbraw/zinc/98/43/84/632984384.db2.gz	DNOKQNWBHWHLQS-GFCCVEGCSA-N	-1	0	286.253	2.833	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]OCc1ccccc1OC	ZINC000819522326	633201003	/nfs/dbraw/zinc/20/10/03/633201003.db2.gz	PKEBTWMGRXOPBX-UHFFFAOYSA-N	-1	0	263.337	2.845	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848413998	633252894	/nfs/dbraw/zinc/25/28/94/633252894.db2.gz	HECMHFMCXBCVCP-SECBINFHSA-N	-1	0	264.350	2.607	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@H]3C[C@H]32)cc1	ZINC000848414368	633253176	/nfs/dbraw/zinc/25/31/76/633253176.db2.gz	NJJFMCBWUJMFMA-WCQYABFASA-N	-1	0	258.321	2.902	20	30		CFEDRM
CCC(N=Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCOC1	ZINC000848415779	633253217	/nfs/dbraw/zinc/25/32/17/633253217.db2.gz	PWFCAGNFMNSIBQ-GFCCVEGCSA-N	-1	0	276.336	2.528	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCOC3(CCC3)C2)cc1	ZINC000848415308	633253249	/nfs/dbraw/zinc/25/32/49/633253249.db2.gz	ZBKRACOAZPKLSF-UHFFFAOYSA-N	-1	0	288.347	2.815	20	30		CFEDRM
CC(C)n1cncc1C=NNc1ccc(CC(=O)[O-])cc1	ZINC000848414552	633253268	/nfs/dbraw/zinc/25/32/68/633253268.db2.gz	OVOGIGCZTQYZQY-UHFFFAOYSA-N	-1	0	286.335	2.537	20	30		CFEDRM
CC(N=Nc1ccc(CC(=O)[O-])cc1)[C@]1(C)CCCO1	ZINC000848414726	633253333	/nfs/dbraw/zinc/25/33/33/633253333.db2.gz	RAFVKJBSUQTTFL-HNNXBMFYSA-N	-1	0	276.336	2.671	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)C[C@H](C)CC(=O)[O-])c1	ZINC000848876943	633356527	/nfs/dbraw/zinc/35/65/27/633356527.db2.gz	PJIJQWNMEVXUQC-LBPRGKRZSA-N	-1	0	273.332	2.522	20	30		CFEDRM
Cn1ncc(C2CC2)c1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000849247413	633589708	/nfs/dbraw/zinc/58/97/08/633589708.db2.gz	SLYAPQLOQBNYLP-VOTSOKGWSA-N	-1	0	284.315	2.605	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)s1	ZINC000850751329	634079658	/nfs/dbraw/zinc/07/96/58/634079658.db2.gz	AINAZYGHQFHBNB-SNVBAGLBSA-N	-1	0	296.367	2.906	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCC3(CC3)C2)CC1	ZINC000851032376	634187173	/nfs/dbraw/zinc/18/71/73/634187173.db2.gz	QDFKXWFIVIVXLL-LBPRGKRZSA-N	-1	0	297.420	2.512	20	30		CFEDRM
C=CC(C)(C)CCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000851300617	634311825	/nfs/dbraw/zinc/31/18/25/634311825.db2.gz	XFFTWCCFDNVGGT-UHFFFAOYSA-N	-1	0	295.301	2.589	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2SCCS2)c1	ZINC000852997883	634870729	/nfs/dbraw/zinc/87/07/29/634870729.db2.gz	DKLKZOOGPCLQGR-WUXMJOGZSA-N	-1	0	284.362	2.525	20	30		CFEDRM
O=c1[n-]c(N=NC[C@@H]2C[C@H]3C[C@H]3C2)nc2ccccc21	ZINC000853319038	634966835	/nfs/dbraw/zinc/96/68/35/634966835.db2.gz	JVWLTQIWJOQYPG-JGPRNRPPSA-N	-1	0	268.320	2.779	20	30		CFEDRM
O=C1Nc2cc([O-])c(Cl)cc2C1=NNC1CCCCC1	ZINC000853336577	634974271	/nfs/dbraw/zinc/97/42/71/634974271.db2.gz	FLIKRJLSGDOWJJ-UHFFFAOYSA-N	-1	0	293.754	2.624	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cn1	ZINC000853354301	634981495	/nfs/dbraw/zinc/98/14/95/634981495.db2.gz	DDGVEHRVCQHZKN-MXWKQRLJSA-N	-1	0	259.309	2.614	20	30		CFEDRM
Cc1cc(O)c(C=NNCCCn2ccnc2)cc1Cl	ZINC000853372621	634985726	/nfs/dbraw/zinc/98/57/26/634985726.db2.gz	SEPFNCULKCZHKJ-UHFFFAOYSA-N	-1	0	292.770	2.564	20	30		CFEDRM
COc1cc(C=NN2CCCC[C@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000853379336	634987547	/nfs/dbraw/zinc/98/75/47/634987547.db2.gz	NTYAKMNBYVUCGK-SNVBAGLBSA-N	-1	0	293.323	2.517	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000853380062	634987561	/nfs/dbraw/zinc/98/75/61/634987561.db2.gz	MVNCWMIEEBVWST-JTQLQIEISA-N	-1	0	263.297	2.509	20	30		CFEDRM
C[C@@H]1C(=NN2CCCC[C@@H]2C)CC[C@@H]1CC(=O)[O-]	ZINC000853382227	634989014	/nfs/dbraw/zinc/98/90/14/634989014.db2.gz	VXIYNFZKHBTQOT-SDDRHHMPSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H]1CC(=NN2CCCC[C@H]2C)CC[C@H]1C(=O)[O-]	ZINC000853382043	634989131	/nfs/dbraw/zinc/98/91/31/634989131.db2.gz	REQKIXYALZUGHE-NQBHXWOUSA-N	-1	0	252.358	2.738	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCOC(F)F)c(=O)c1CCC#N	ZINC000853675806	635070806	/nfs/dbraw/zinc/07/08/06/635070806.db2.gz	BMNWYYTWJGWTTQ-UHFFFAOYSA-N	-1	0	287.310	2.582	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(C)(C)C	ZINC000854478251	635313585	/nfs/dbraw/zinc/31/35/85/635313585.db2.gz	GJFQWNYKJGBAOT-LBPRGKRZSA-N	-1	0	288.372	2.894	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2n[n-]c3ccccc3c2=O)C1	ZINC000855439024	635552283	/nfs/dbraw/zinc/55/22/83/635552283.db2.gz	UAUBMDYSNPQJAM-GFCCVEGCSA-N	-1	0	297.358	2.764	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1c(O)cccc1Cl)C1CC1	ZINC000855582564	635590111	/nfs/dbraw/zinc/59/01/11/635590111.db2.gz	JYUSKGQOPZVMTL-QMMMGPOBSA-N	-1	0	264.712	2.562	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1	ZINC000855584679	635591658	/nfs/dbraw/zinc/59/16/58/635591658.db2.gz	VEIBGFADNVOMIK-MRVPVSSYSA-N	-1	0	287.344	2.633	20	30		CFEDRM
C=CCC1(NC(=O)c2n[n-]c3ccccc3c2=O)CCCC1	ZINC000855927117	635691086	/nfs/dbraw/zinc/69/10/86/635691086.db2.gz	CPKTWJWBBHRMNN-UHFFFAOYSA-N	-1	0	297.358	2.954	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Oc1cccc(C)c1	ZINC000856032614	635707767	/nfs/dbraw/zinc/70/77/67/635707767.db2.gz	NWPSIHRUROORRJ-CQSZACIVSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CC)OC1CCCCC1	ZINC000856032283	635708068	/nfs/dbraw/zinc/70/80/68/635708068.db2.gz	JNYWYUSBXKCSPI-CYBMUJFWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)[C@H]1OCCc2sccc21	ZINC000856035906	635710518	/nfs/dbraw/zinc/71/05/18/635710518.db2.gz	NEFHVCGVRSNUSC-GXFFZTMASA-N	-1	0	281.377	2.622	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@H]2CC2(F)F)c1	ZINC000856717059	635838090	/nfs/dbraw/zinc/83/80/90/635838090.db2.gz	BQHNOQQJZUEKSC-KLLFSAEGSA-N	-1	0	270.235	2.765	20	30		CFEDRM
Cc1c(N=NC[C@@H]2CCCOCC2)cccc1C(=O)[O-]	ZINC000857210847	635947677	/nfs/dbraw/zinc/94/76/77/635947677.db2.gz	FNEZROCVXAJEST-GFCCVEGCSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccco2)cc1	ZINC000048421481	650265538	/nfs/dbraw/zinc/26/55/38/650265538.db2.gz	ZWJTWZHKALKWPH-UHFFFAOYSA-N	-1	0	293.344	2.866	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048426987	650266212	/nfs/dbraw/zinc/26/62/12/650266212.db2.gz	NDQKHTTYCDUZAD-UHFFFAOYSA-N	-1	0	287.406	2.783	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000048472069	650268695	/nfs/dbraw/zinc/26/86/95/650268695.db2.gz	RYZBYXMNCJPGTO-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1	ZINC000048511526	650269139	/nfs/dbraw/zinc/26/91/39/650269139.db2.gz	OLTCIWGLJBQGGX-SNVBAGLBSA-N	-1	0	255.339	2.686	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518326	650269177	/nfs/dbraw/zinc/26/91/77/650269177.db2.gz	CKHICZOIBFZRBC-HUAGXHDJSA-N	-1	0	265.334	2.600	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000048568367	650271194	/nfs/dbraw/zinc/27/11/94/650271194.db2.gz	FLQNKWNHWDTEBF-UHFFFAOYSA-N	-1	0	297.307	2.562	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000862568175	637435125	/nfs/dbraw/zinc/43/51/25/637435125.db2.gz	URVAIDFNGTXGAV-JTQLQIEISA-N	-1	0	286.356	2.602	20	30		CFEDRM
N#Cc1ccc([O-])c(-c2cnn([C@H]3CCCCO3)c2)c1	ZINC000863725773	637760679	/nfs/dbraw/zinc/76/06/79/637760679.db2.gz	ASVFVIVVTFQMKK-OAHLLOKOSA-N	-1	0	269.304	2.826	20	30		CFEDRM
C#CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1	ZINC000864106695	637878556	/nfs/dbraw/zinc/87/85/56/637878556.db2.gz	KSNUJPUHAIBBOU-UHFFFAOYSA-N	-1	0	289.331	2.694	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864155557	637894565	/nfs/dbraw/zinc/89/45/65/637894565.db2.gz	MRDOZXHLFSATKB-CLFYSBASSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000864159836	637896614	/nfs/dbraw/zinc/89/66/14/637896614.db2.gz	AZAGQOYWBZTSTQ-VURMDHGXSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(C)ccc1C)C(=O)[O-]	ZINC000864182121	637906436	/nfs/dbraw/zinc/90/64/36/637906436.db2.gz	JKPIHYOUZQPMPZ-GFCCVEGCSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000864183353	637906753	/nfs/dbraw/zinc/90/67/53/637906753.db2.gz	IXTLXLQLSNUSJD-MWLCHTKSSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@@H](C)CCC)C(=O)[O-]	ZINC000864184957	637907550	/nfs/dbraw/zinc/90/75/50/637907550.db2.gz	UMHXXBTYBHPOGY-WCBMZHEXSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc(C)c1C)C(=O)[O-]	ZINC000864184885	637907717	/nfs/dbraw/zinc/90/77/17/637907717.db2.gz	YNRODVBGGLCCEV-LBPRGKRZSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000864186824	637908369	/nfs/dbraw/zinc/90/83/69/637908369.db2.gz	YEZZECWZGOZGBY-ZDUSSCGKSA-N	-1	0	293.750	2.890	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C1CCC2(CC2)CC1)C(=O)[O-]	ZINC000864186546	637908508	/nfs/dbraw/zinc/90/85/08/637908508.db2.gz	RPLBTVDMQHOLGM-NSHDSACASA-N	-1	0	285.771	2.669	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C\C1CCCCC1)C(=O)[O-]	ZINC000864187078	637908625	/nfs/dbraw/zinc/90/86/25/637908625.db2.gz	CZWLQXNUDWYEPC-YXVBKTCISA-N	-1	0	265.353	2.659	20	30		CFEDRM
CCn1ncc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])n1	ZINC000864344843	637945734	/nfs/dbraw/zinc/94/57/34/637945734.db2.gz	IAKYNSQGYSMQDQ-PJQLUOCWSA-N	-1	0	299.161	2.930	20	30		CFEDRM
CCO[C@@]1(C)C[C@H]1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000864346057	637946993	/nfs/dbraw/zinc/94/69/93/637946993.db2.gz	MYDFTFPQMJERMT-XHDDJYNTSA-N	-1	0	298.726	2.940	20	30		CFEDRM
C=C(C)C[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC000864529137	638013466	/nfs/dbraw/zinc/01/34/66/638013466.db2.gz	CWIUZCVTYBTLRO-SNVBAGLBSA-N	-1	0	282.409	2.950	20	30		CFEDRM
O=C(CC1CCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000076755621	650401226	/nfs/dbraw/zinc/40/12/26/650401226.db2.gz	QVOIFJWVWXQKLA-UHFFFAOYSA-N	-1	0	253.323	2.522	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1	ZINC000076756105	650401303	/nfs/dbraw/zinc/40/13/03/650401303.db2.gz	BJWGAAIJEARHSG-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C)C1	ZINC000076761904	650402174	/nfs/dbraw/zinc/40/21/74/650402174.db2.gz	ZYOVKMVCKSGVJX-WDEREUQCSA-N	-1	0	261.387	2.899	20	30		CFEDRM
CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000076877502	650408647	/nfs/dbraw/zinc/40/86/47/650408647.db2.gz	QRKQTUBBJPUVMJ-GFCCVEGCSA-N	-1	0	290.429	2.890	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)c1	ZINC000077944622	650464676	/nfs/dbraw/zinc/46/46/76/650464676.db2.gz	GUSOKNLIGAVXOU-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
CCCC[C@@H](CC)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122749644	639377483	/nfs/dbraw/zinc/37/74/83/639377483.db2.gz	INWWHWRTZISKQK-OLZOCXBDSA-N	-1	0	289.379	2.918	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCC1CCCC1	ZINC000123009509	639558295	/nfs/dbraw/zinc/55/82/95/639558295.db2.gz	YEBPHCKWYRBMQG-ZDUSSCGKSA-N	-1	0	287.363	2.672	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2sc(C)cc2C)CC1	ZINC000870370627	639613689	/nfs/dbraw/zinc/61/36/89/639613689.db2.gz	VCMOXTMIAFSNAB-UHFFFAOYSA-N	-1	0	299.417	2.533	20	30		CFEDRM
CCCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870690710	639773904	/nfs/dbraw/zinc/77/39/04/639773904.db2.gz	CUVKPICWKRYVPN-UHFFFAOYSA-N	-1	0	258.321	2.939	20	30		CFEDRM
C=CCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCC1	ZINC000870691836	639774707	/nfs/dbraw/zinc/77/47/07/639774707.db2.gz	RWRLHBGAOVSOHS-UHFFFAOYSA-N	-1	0	256.305	2.715	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2ccc(C(C)C)cc2)CC1	ZINC000870831142	641091561	/nfs/dbraw/zinc/09/15/61/641091561.db2.gz	PNABGCJWMLWUSB-UHFFFAOYSA-N	-1	0	293.388	2.588	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCC2(C)C)CC1	ZINC000870833375	641091845	/nfs/dbraw/zinc/09/18/45/641091845.db2.gz	CGRCSVFHYNWRFO-LBPRGKRZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCCC2)CC1	ZINC000870838695	641091890	/nfs/dbraw/zinc/09/18/90/641091890.db2.gz	KIUUJQZOFIGVFQ-KTKRTIGZSA-N	-1	0	297.420	2.678	20	30		CFEDRM
C#CCOc1cccc(NC(=O)c2c([O-])cccc2F)c1	ZINC000123700550	641361787	/nfs/dbraw/zinc/36/17/87/641361787.db2.gz	NMJPTBDVXRUDOR-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CCC[C@@]1(C)C(=O)[O-]	ZINC000871646049	641380101	/nfs/dbraw/zinc/38/01/01/641380101.db2.gz	DDFYCWRZKLTITI-HNNXBMFYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000871647005	641380319	/nfs/dbraw/zinc/38/03/19/641380319.db2.gz	VKRPKZMKCDCQDW-HNNXBMFYSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1noc(C(C)(C)C)c1C	ZINC000872008861	641546432	/nfs/dbraw/zinc/54/64/32/641546432.db2.gz	QPFGYFKRNSYEOJ-UHFFFAOYSA-N	-1	0	286.397	2.988	20	30		CFEDRM
Cc1nnc(N=NC2CCCCCC2(C)C)[n-]c1=O	ZINC000872331279	641758554	/nfs/dbraw/zinc/75/85/54/641758554.db2.gz	BMCSJLJFTDFONF-UHFFFAOYSA-N	-1	0	263.345	2.644	20	30		CFEDRM
Cc1cc(C)c(CC=CN=Nc2nnc(C)c(=O)[n-]2)c(C)c1	ZINC000872331346	641758581	/nfs/dbraw/zinc/75/85/81/641758581.db2.gz	DZZDBOYWAGIPEP-NYPBNNSBSA-N	-1	0	297.362	2.922	20	30		CFEDRM
CC[C@@H](NN=Cc1cn(C)c2cc(Cl)ccc12)C(=O)[O-]	ZINC000872376925	641780790	/nfs/dbraw/zinc/78/07/90/641780790.db2.gz	VRGLNFDUWKDWNJ-GFCCVEGCSA-N	-1	0	293.754	2.618	20	30		CFEDRM
O=C([O-])Cc1ccc(NN=CC(F)(F)C(F)(F)F)cc1	ZINC000872387111	641786094	/nfs/dbraw/zinc/78/60/94/641786094.db2.gz	MAPHPJJNHPZLJQ-UHFFFAOYSA-N	-1	0	296.195	2.909	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNC[C@@H]1CCCC1(F)F	ZINC000872407420	641797099	/nfs/dbraw/zinc/79/70/99/641797099.db2.gz	SRYOGEVMDNJDHK-MXWKQRLJSA-N	-1	0	288.338	2.888	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1cc(C(=O)[O-])co1	ZINC000872752769	641921236	/nfs/dbraw/zinc/92/12/36/641921236.db2.gz	PEVJPQMMZJHLAR-UHFFFAOYSA-N	-1	0	265.309	2.700	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000872752917	641921607	/nfs/dbraw/zinc/92/16/07/641921607.db2.gz	QFOIWULOHPFKMZ-STQMWFEESA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#CCOc1ccc(NC(=O)[C@](C)(CC)CC(=O)[O-])cc1	ZINC000872842454	641949488	/nfs/dbraw/zinc/94/94/88/641949488.db2.gz	AXHOCGDUSWNWOE-MRXNPFEDSA-N	-1	0	289.331	2.528	20	30		CFEDRM
C#CC[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccccc1	ZINC000872853670	641951826	/nfs/dbraw/zinc/95/18/26/641951826.db2.gz	UQUUVIIAWBCJRY-INIZCTEOSA-N	-1	0	297.354	2.822	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000872982011	641977030	/nfs/dbraw/zinc/97/70/30/641977030.db2.gz	QZFIKWHZTGNAMY-WMLDXEAASA-N	-1	0	293.407	2.775	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872994426	641980313	/nfs/dbraw/zinc/98/03/13/641980313.db2.gz	PKLSNKRWWPXBCZ-UHFFFAOYSA-N	-1	0	287.425	2.691	20	30		CFEDRM
Cc1cc(F)c(C#N)cc1NC(=O)CC(C)(C)CC(=O)[O-]	ZINC000873003702	641982582	/nfs/dbraw/zinc/98/25/82/641982582.db2.gz	DELYBUMAWTXHPN-UHFFFAOYSA-N	-1	0	292.310	2.835	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000194743209	650726716	/nfs/dbraw/zinc/72/67/16/650726716.db2.gz	UIJZQLYOFIVQHC-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000874420825	642381312	/nfs/dbraw/zinc/38/13/12/642381312.db2.gz	UEQYZSSNAWNDHH-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1sccc1-c1ccc(OCC(=O)[O-])c(C=O)c1	ZINC000874969108	642566776	/nfs/dbraw/zinc/56/67/76/642566776.db2.gz	CUEOEJVSLLEKKF-UHFFFAOYSA-N	-1	0	287.296	2.563	20	30		CFEDRM
N#Cc1c(OCC(=O)[O-])cccc1-c1ccc(C=O)s1	ZINC000874971053	642567719	/nfs/dbraw/zinc/56/77/19/642567719.db2.gz	NSOFXVVKHOYIIV-UHFFFAOYSA-N	-1	0	287.296	2.563	20	30		CFEDRM
CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)CCOC	ZINC000084694740	650778604	/nfs/dbraw/zinc/77/86/04/650778604.db2.gz	RHBAXYOUUYXLAR-UHFFFAOYSA-N	-1	0	279.402	2.526	20	30		CFEDRM
CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]S(C)(=O)=O	ZINC000084844162	650782640	/nfs/dbraw/zinc/78/26/40/650782640.db2.gz	HONHGPNVIYWSDE-UHFFFAOYSA-N	-1	0	289.784	2.825	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1C(=O)/C=C/c1cn(C(C)C)nn1	ZINC000876497893	642893357	/nfs/dbraw/zinc/89/33/57/642893357.db2.gz	HUOIFLNDXQZCPL-VOTSOKGWSA-N	-1	0	299.330	2.762	20	30		CFEDRM
O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054849	650794730	/nfs/dbraw/zinc/79/47/30/650794730.db2.gz	XTNKTGFFBYHJIY-LLVKDONJSA-N	-1	0	289.397	2.565	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)CC(C)C)c(F)cc1F	ZINC000086068041	650795657	/nfs/dbraw/zinc/79/56/57/650795657.db2.gz	WTZJFDXAXWVURL-UHFFFAOYSA-N	-1	0	291.319	2.965	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)CC)cc1	ZINC000126109233	642974667	/nfs/dbraw/zinc/97/46/67/642974667.db2.gz	YJVAVCVLPKVDLO-OAHLLOKOSA-N	-1	0	298.386	2.999	20	30		CFEDRM
CCc1noc(CC)c1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000088401194	650812046	/nfs/dbraw/zinc/81/20/46/650812046.db2.gz	UPHKRJWSAFYOGK-UHFFFAOYSA-N	-1	0	299.330	2.558	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1	ZINC000088799903	650819957	/nfs/dbraw/zinc/81/99/57/650819957.db2.gz	XDQBNEZCRHLFOA-UHFFFAOYSA-N	-1	0	293.344	2.645	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000878726958	644009442	/nfs/dbraw/zinc/00/94/42/644009442.db2.gz	ZKZQIICYSBXYKM-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125778	650892333	/nfs/dbraw/zinc/89/23/33/650892333.db2.gz	PRRYRCYOSMXGBP-UHFFFAOYSA-N	-1	0	297.376	2.703	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1coc(-c2ccc(C)cc2)n1	ZINC000092466404	650920506	/nfs/dbraw/zinc/92/05/06/650920506.db2.gz	PIIIWQXNZLBSFO-UHFFFAOYSA-N	-1	0	286.331	2.723	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccnc2)CC2(CCC2)C1	ZINC000880549541	644761089	/nfs/dbraw/zinc/76/10/89/644761089.db2.gz	YXUFBSSEMSTWBX-ZDUSSCGKSA-N	-1	0	286.375	2.906	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1oc(CC)cc1C	ZINC000128673983	644852294	/nfs/dbraw/zinc/85/22/94/644852294.db2.gz	CLYILPVZUMVMEY-ZDUSSCGKSA-N	-1	0	290.363	2.779	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(O)c1	ZINC000129526914	645252547	/nfs/dbraw/zinc/25/25/47/645252547.db2.gz	DJOOWMQTMGMOFZ-FNORWQNLSA-N	-1	0	285.255	2.902	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(C3CC3)CC2)c1	ZINC000129619173	645295155	/nfs/dbraw/zinc/29/51/55/645295155.db2.gz	ODPYBLAKJZPHBL-OVCLIPMQSA-N	-1	0	260.293	2.910	20	30		CFEDRM
[O-]c1ccc(C=NOCCC(F)(F)F)c(F)c1F	ZINC000884451984	646366430	/nfs/dbraw/zinc/36/64/30/646366430.db2.gz	FZXRRWFSJDEVLI-UHFFFAOYSA-N	-1	0	269.169	2.973	20	30		CFEDRM
CO[C@H]1C[C@H](C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000887268018	647255005	/nfs/dbraw/zinc/25/50/05/647255005.db2.gz	ABEASCWQLZCSLR-VRJQDOFLSA-N	-1	0	298.726	2.798	20	30		CFEDRM
N#Cc1cc(F)ccc1N1CCCC[C@H]1CC(=O)[O-]	ZINC000111025900	647824061	/nfs/dbraw/zinc/82/40/61/647824061.db2.gz	CIDUZVXSFFJAIV-LBPRGKRZSA-N	-1	0	262.284	2.531	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)OC1CCCCC1)C(=O)[O-]	ZINC000926569036	648537086	/nfs/dbraw/zinc/53/70/86/648537086.db2.gz	WXYOJBVMEPBAED-SNVBAGLBSA-N	-1	0	275.732	2.641	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)OCC1CCCCC1)C(=O)[O-]	ZINC000926569148	648537291	/nfs/dbraw/zinc/53/72/91/648537291.db2.gz	YFFRIOBSXAIELQ-LLVKDONJSA-N	-1	0	289.759	2.889	20	30		CFEDRM
C#CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C(C)C	ZINC000928625980	648937933	/nfs/dbraw/zinc/93/79/33/648937933.db2.gz	KESVIONWFHLYPH-UHFFFAOYSA-N	-1	0	269.703	2.669	20	30		CFEDRM
Cc1noc(C(C)C)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000928786376	648953917	/nfs/dbraw/zinc/95/39/17/648953917.db2.gz	BSLFZHHPKXBCKJ-UHFFFAOYSA-N	-1	0	285.303	2.936	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)s1	ZINC000119856635	651301405	/nfs/dbraw/zinc/30/14/05/651301405.db2.gz	PZFJYXKAYHITES-GFCCVEGCSA-N	-1	0	290.388	2.692	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ncc1C#N	ZINC001241183043	782262818	/nfs/dbraw/zinc/26/28/18/782262818.db2.gz	IOMSWIZBGMKVCA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000692300599	770479777	/nfs/dbraw/zinc/47/97/77/770479777.db2.gz	LCWCSWSSUKNAGA-SNVBAGLBSA-N	-1	0	263.724	2.531	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240106	776763125	/nfs/dbraw/zinc/76/31/25/776763125.db2.gz	TZTUSTXVXDPQDG-VIFPVBQESA-N	-1	0	260.293	2.687	20	30		CFEDRM
N#Cc1cn(-c2cc(F)cc(C(=O)[O-])c2)c2ccc(N)cc12	ZINC001209894242	770156901	/nfs/dbraw/zinc/15/69/01/770156901.db2.gz	TZOYPMKMRQYCGD-UHFFFAOYSA-N	-1	0	295.273	2.922	20	30		CFEDRM
C#Cc1cccnc1Nc1cccc(C(=O)[O-])c1F	ZINC001210238735	770247341	/nfs/dbraw/zinc/24/73/41/770247341.db2.gz	IVSWGOJXTQUHIZ-UHFFFAOYSA-N	-1	0	256.236	2.644	20	30		CFEDRM
C[C@@H]1CC(=O)C=C(Nc2cc(C#N)c(F)cc2[O-])C1	ZINC001210775852	770364068	/nfs/dbraw/zinc/36/40/68/770364068.db2.gz	PTIPGKGPFYLZRF-QMMMGPOBSA-N	-1	0	260.268	2.698	20	30		CFEDRM
N#Cc1cccc(O)c1Nc1ccccc1C(=O)[O-]	ZINC001210968047	770406712	/nfs/dbraw/zinc/40/67/12/770406712.db2.gz	BFDZVGBPTWLZDO-UHFFFAOYSA-N	-1	0	254.245	2.706	20	30		CFEDRM
N#Cc1cc2cccnc2nc1Nc1ccccc1C(=O)[O-]	ZINC001210969204	770408382	/nfs/dbraw/zinc/40/83/82/770408382.db2.gz	IEMRICXAUPMFSZ-UHFFFAOYSA-N	-1	0	290.282	2.943	20	30		CFEDRM
N#Cc1cc(Nc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1	ZINC001211330646	770484826	/nfs/dbraw/zinc/48/48/26/770484826.db2.gz	XVRRNNHWBHTYSB-UHFFFAOYSA-N	-1	0	283.243	2.908	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000693448231	770648389	/nfs/dbraw/zinc/64/83/89/770648389.db2.gz	YBECRYOSNIYQAB-WKFQBHICSA-N	-1	0	284.237	2.852	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCCCCCC1	ZINC000178473815	770814334	/nfs/dbraw/zinc/81/43/34/770814334.db2.gz	TXZLUKQFYQHRFI-ZDUSSCGKSA-N	-1	0	287.363	2.672	20	30		CFEDRM
Cc1cc(Nc2cc(F)cnc2C#N)cc(C(=O)[O-])c1	ZINC001211539097	770872550	/nfs/dbraw/zinc/87/25/50/770872550.db2.gz	FOTHXAZNILTPDI-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
N#CC(=C([O-])C=Cc1ccncn1)c1nc2ccccc2o1	ZINC000588539146	770964700	/nfs/dbraw/zinc/96/47/00/770964700.db2.gz	DVMQZNRFNNVFCD-FJOGCWAESA-N	-1	0	290.282	2.507	20	30		CFEDRM
Cc1c(Nc2cnccc2C#N)cccc1C(=O)[O-]	ZINC001216657410	773207558	/nfs/dbraw/zinc/20/75/58/773207558.db2.gz	ZDXQWXBYUKVXBH-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
Cc1nc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000176407573	773221157	/nfs/dbraw/zinc/22/11/57/773221157.db2.gz	JBVIQWCBZJPMQO-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
Cc1ccc(Nc2ccc(N)cc2C#N)cc1C(=O)[O-]	ZINC001211606480	775203840	/nfs/dbraw/zinc/20/38/40/775203840.db2.gz	PXECGPBYFZFLEJ-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=C[C@@H](CCCCCC)OCC[P@@](=O)([O-])O	ZINC001224602429	775224233	/nfs/dbraw/zinc/22/42/33/775224233.db2.gz	RAOQRVWSJULFHV-NSHDSACASA-N	-1	0	250.275	2.706	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cncc(C#N)c1	ZINC001211616352	775251483	/nfs/dbraw/zinc/25/14/83/775251483.db2.gz	ISWZAVARRMCLDS-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
CCC[C@H](C#Cc1ccccc1)OCCCS(=O)(=O)[O-]	ZINC001224896370	775301610	/nfs/dbraw/zinc/30/16/10/775301610.db2.gz	CQYPAEFVIIGBGB-OAHLLOKOSA-N	-1	0	296.388	2.501	20	30		CFEDRM
C=CC[C@H](CCC)OCCCC[P@@](=O)([O-])O	ZINC001225021890	775338738	/nfs/dbraw/zinc/33/87/38/775338738.db2.gz	JYOSGULIDAXFDR-LLVKDONJSA-N	-1	0	250.275	2.706	20	30		CFEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1ccccc1[S-]	ZINC001225588298	775514396	/nfs/dbraw/zinc/51/43/96/775514396.db2.gz	QPTMAHCUGRKLPX-VIFPVBQESA-N	-1	0	250.319	2.964	20	30		CFEDRM
CC1=C(Oc2c(F)c(F)c([O-])c(F)c2F)C(=O)[C@@H](C)O1	ZINC001225878499	775620796	/nfs/dbraw/zinc/62/07/96/775620796.db2.gz	CUNJGBYRZGYDEG-GSVOUGTGSA-N	-1	0	292.184	2.547	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225979631	775656602	/nfs/dbraw/zinc/65/66/02/775656602.db2.gz	IJGPYDBXZNMMDW-SSDOTTSWSA-N	-1	0	262.231	2.935	20	30		CFEDRM
C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009347	775666495	/nfs/dbraw/zinc/66/64/95/775666495.db2.gz	VSYYHVDJFFETEP-JTQLQIEISA-N	-1	0	272.279	2.808	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000328346986	775739168	/nfs/dbraw/zinc/73/91/68/775739168.db2.gz	MUFQCAQFAWWFLT-UONOGXRCSA-N	-1	0	279.380	2.906	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCCC[C@@H]2F)c1C#N	ZINC001226223357	775742779	/nfs/dbraw/zinc/74/27/79/775742779.db2.gz	OUDSKUHRHAPETC-QWRGUYRKSA-N	-1	0	250.273	2.627	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2nccs2)c1C#N	ZINC001226223361	775742999	/nfs/dbraw/zinc/74/29/99/775742999.db2.gz	OVGRYUKTIOUABL-MRVPVSSYSA-N	-1	0	261.306	2.564	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556473	775872631	/nfs/dbraw/zinc/87/26/31/775872631.db2.gz	NSMUZPQFMYJPBR-VIFPVBQESA-N	-1	0	291.738	2.811	20	30		CFEDRM
CCCCCCC[C@H](CC)Oc1c([O-])c(=O)c1=O	ZINC001226604844	775890103	/nfs/dbraw/zinc/89/01/03/775890103.db2.gz	GPFJGBKCUROATF-JTQLQIEISA-N	-1	0	254.326	2.506	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226780513	775961288	/nfs/dbraw/zinc/96/12/88/775961288.db2.gz	NDTVBZRWFWUPSN-VIFPVBQESA-N	-1	0	276.365	2.603	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788303	775965006	/nfs/dbraw/zinc/96/50/06/775965006.db2.gz	VDWHSQMPASJXRO-QMMMGPOBSA-N	-1	0	287.157	2.987	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977490	776043681	/nfs/dbraw/zinc/04/36/81/776043681.db2.gz	QONGBEOLWSIJQT-LLVKDONJSA-N	-1	0	286.407	2.984	20	30		CFEDRM
C#C[C@H](CCCC)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977760	776043694	/nfs/dbraw/zinc/04/36/94/776043694.db2.gz	USJVHPCHYKLYKC-LLVKDONJSA-N	-1	0	256.305	2.906	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071070	776083966	/nfs/dbraw/zinc/08/39/66/776083966.db2.gz	VKSCQNAOXSWCKD-GARJFASQSA-N	-1	0	288.351	2.818	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)nc2[nH]ccc21	ZINC001227274645	776167897	/nfs/dbraw/zinc/16/78/97/776167897.db2.gz	OGDVQHVHDMKYDJ-SNVBAGLBSA-N	-1	0	271.320	2.646	20	30		CFEDRM
CCOC(=O)[C@H](CC(C)C)Oc1cc(C#N)ccc1O	ZINC001227345539	776180590	/nfs/dbraw/zinc/18/05/90/776180590.db2.gz	NSXATOYKLVLFGB-AWEZNQCLSA-N	-1	0	277.320	2.620	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227348647	776181986	/nfs/dbraw/zinc/18/19/86/776181986.db2.gz	CZGQJVOIVVUKPS-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C(C)C[C@H](Oc1[n-]c(=S)nnc1C)C(=C)C	ZINC001227600547	776237982	/nfs/dbraw/zinc/23/79/82/776237982.db2.gz	FHRDNFQYIFNAOM-JTQLQIEISA-N	-1	0	251.355	2.758	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227625028	776247876	/nfs/dbraw/zinc/24/78/76/776247876.db2.gz	MSAXFHZFFXMOGW-QMMMGPOBSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C#C[C@H](Oc1nc(=O)[n-]c2c1COC2)[C@@H](CC)CCCC	ZINC001227690664	776259305	/nfs/dbraw/zinc/25/93/05/776259305.db2.gz	NRHKVYYORYRNNP-FZMZJTMJSA-N	-1	0	290.363	2.809	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227690829	776259760	/nfs/dbraw/zinc/25/97/60/776259760.db2.gz	PMHHAWVYNIVPEO-SNVBAGLBSA-N	-1	0	264.325	2.726	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC001227743641	776275201	/nfs/dbraw/zinc/27/52/01/776275201.db2.gz	WGLUVEXHJROVSK-LLVKDONJSA-N	-1	0	273.292	2.898	20	30		CFEDRM
C#C[C@@H](Oc1ncc(Cl)cc1O)c1ccncc1	ZINC001227983658	776349430	/nfs/dbraw/zinc/34/94/30/776349430.db2.gz	QZDNZKWPLPAKOP-GFCCVEGCSA-N	-1	0	260.680	2.589	20	30		CFEDRM
C=CCC(CC=C)Oc1[n-]c(=O)nc2cccnc21	ZINC001228007669	776360688	/nfs/dbraw/zinc/36/06/88/776360688.db2.gz	LPBDCJCUBMDFKD-UHFFFAOYSA-N	-1	0	257.293	2.630	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21	ZINC001228241766	776431786	/nfs/dbraw/zinc/43/17/86/776431786.db2.gz	FYROLBPJMKLLBO-SNVBAGLBSA-N	-1	0	289.291	2.977	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21	ZINC001228241762	776431807	/nfs/dbraw/zinc/43/18/07/776431807.db2.gz	FYROLBPJMKLLBO-JTQLQIEISA-N	-1	0	289.291	2.977	20	30		CFEDRM
C=CCCCCCC[C@@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228312403	776454442	/nfs/dbraw/zinc/45/44/42/776454442.db2.gz	SKINOWMIDOXGLI-LLVKDONJSA-N	-1	0	281.356	2.885	20	30		CFEDRM
C#CC[C@H](CC)Oc1c(O)ccc2c(C)cc(=O)oc21	ZINC001228621491	776542597	/nfs/dbraw/zinc/54/25/97/776542597.db2.gz	APOSRIDSPZBJIY-NSHDSACASA-N	-1	0	272.300	2.988	20	30		CFEDRM
C#C[C@H](Oc1c(O)ccc2c(C)cc(=O)oc21)C(C)C	ZINC001228621489	776542823	/nfs/dbraw/zinc/54/28/23/776542823.db2.gz	AONSFXRFFIYSNZ-ZDUSSCGKSA-N	-1	0	272.300	2.844	20	30		CFEDRM
C=CC[C@H](C=C)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-]	ZINC001228814428	776620998	/nfs/dbraw/zinc/62/09/98/776620998.db2.gz	NRDSMJOWQBJZRG-VIFPVBQESA-N	-1	0	293.275	2.597	20	30		CFEDRM
COc1ccccc1[C@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228899366	776649888	/nfs/dbraw/zinc/64/98/88/776649888.db2.gz	WEKRNYGTFWVYLJ-JTQLQIEISA-N	-1	0	270.288	2.807	20	30		CFEDRM
CC(C)[C@@H](Oc1[n-]c(=O)ccc1C#N)C(F)(F)F	ZINC001228899561	776650024	/nfs/dbraw/zinc/65/00/24/776650024.db2.gz	ZCNGBHMKYLBWKE-SECBINFHSA-N	-1	0	260.215	2.625	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1C[C@@H](OCc2ccccc2)C1	ZINC001228901513	776651419	/nfs/dbraw/zinc/65/14/19/776651419.db2.gz	LXHQJIRFLLBVHG-GASCZTMLSA-N	-1	0	296.326	2.785	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973492	776673725	/nfs/dbraw/zinc/67/37/25/776673725.db2.gz	JNDRQZRYQLRSQE-SSDOTTSWSA-N	-1	0	287.337	2.872	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973472	776674467	/nfs/dbraw/zinc/67/44/67/776674467.db2.gz	IQTDQJGFRYLMNA-SECBINFHSA-N	-1	0	251.238	2.516	20	30		CFEDRM
C=CC[C@@H](Oc1[nH]c(=O)[n-]c(=O)c1F)c1ccccc1	ZINC001229124432	776726818	/nfs/dbraw/zinc/72/68/18/776726818.db2.gz	MDWDTVILBGPYLF-SNVBAGLBSA-N	-1	0	276.267	2.723	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137174	776730256	/nfs/dbraw/zinc/73/02/56/776730256.db2.gz	HICLTPBMWULVSV-VIFPVBQESA-N	-1	0	260.293	2.687	20	30		CFEDRM
C=C[C@@H](Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001229378129	776794872	/nfs/dbraw/zinc/79/48/72/776794872.db2.gz	HQIPGVJFGMXESG-LLVKDONJSA-N	-1	0	287.275	2.705	20	30		CFEDRM
C=C[C@@H](CC)Oc1nc(SCCC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229791193	776893208	/nfs/dbraw/zinc/89/32/08/776893208.db2.gz	GWIHUNQVJOOVMJ-QMMMGPOBSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=CC[C@@H](Oc1nc(Cl)nc(=O)[n-]1)c1ccccc1	ZINC001230240026	776963496	/nfs/dbraw/zinc/96/34/96/776963496.db2.gz	GBCQWYCPTRVODE-SNVBAGLBSA-N	-1	0	277.711	2.927	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230280687	776971066	/nfs/dbraw/zinc/97/10/66/776971066.db2.gz	YTEICVHGBZXAIS-JTQLQIEISA-N	-1	0	252.314	2.710	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861991	777076332	/nfs/dbraw/zinc/07/63/32/777076332.db2.gz	IGIQMUSGRRCJSU-NSHDSACASA-N	-1	0	286.331	2.915	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882124	777080868	/nfs/dbraw/zinc/08/08/68/777080868.db2.gz	DNCYNHVBZFLPIU-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882983	777081384	/nfs/dbraw/zinc/08/13/84/777081384.db2.gz	IJIGJSPZARUXBC-JTQLQIEISA-N	-1	0	260.268	2.655	20	30		CFEDRM
C[C@H](CS)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230887103	777082310	/nfs/dbraw/zinc/08/23/10/777082310.db2.gz	VMKLFTXIPUUINL-ZCFIWIBFSA-N	-1	0	270.741	2.686	20	30		CFEDRM
C[C@@H](CS)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231050406	777124866	/nfs/dbraw/zinc/12/48/66/777124866.db2.gz	SNBYNCABPRPLIG-BYPYZUCNSA-N	-1	0	278.164	2.962	20	30		CFEDRM
C[Si](C)(C)C#C[C@@H](Oc1n[nH]c(=O)[n-]1)c1ccccc1	ZINC001231306508	777188224	/nfs/dbraw/zinc/18/82/24/777188224.db2.gz	XNPUASKNQPWVEW-GFCCVEGCSA-N	-1	0	287.395	2.511	20	30		CFEDRM
O=c1[n-]c(O[C@@H](C#Cc2ccccc2)c2ccccc2)n[nH]1	ZINC001231308562	777188794	/nfs/dbraw/zinc/18/87/94/777188794.db2.gz	UOBCBVUHAAVUDX-HNNXBMFYSA-N	-1	0	291.310	2.682	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCC[C@@H](F)C(F)(F)C2)c1	ZINC001232673475	777637115	/nfs/dbraw/zinc/63/71/15/777637115.db2.gz	HKQJPTDOFONDRX-CYBMUJFWSA-N	-1	0	284.281	2.833	20	30		CFEDRM
Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000714358983	778005532	/nfs/dbraw/zinc/00/55/32/778005532.db2.gz	HXCPUVWPQFSRKT-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
N#C[C@H]1CC[C@@H](Oc2cc([O-])cc3occc(=O)c23)C1	ZINC001233827004	778088029	/nfs/dbraw/zinc/08/80/29/778088029.db2.gz	KZGNNCPFUVCBIB-GXSJLCMTSA-N	-1	0	271.272	2.570	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234510504	778239515	/nfs/dbraw/zinc/23/95/15/778239515.db2.gz	BGQOGZSXHAVFEG-JTQLQIEISA-N	-1	0	255.277	2.550	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(O[C@H]3CCC(F)(F)C3)c2c1	ZINC001234520820	778242387	/nfs/dbraw/zinc/24/23/87/778242387.db2.gz	YAFDRRTYYWACRJ-VIFPVBQESA-N	-1	0	291.257	2.774	20	30		CFEDRM
C[C@@H](Oc1[nH]c(=O)nc2ccc(C#N)cc21)C1=CC=C[CH]1	ZINC001234530750	778244790	/nfs/dbraw/zinc/24/47/90/778244790.db2.gz	MAYYGBXMDUQNCB-SNVBAGLBSA-N	-1	0	278.291	2.675	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(OCCOC3CCCC3)c2c1	ZINC001234531232	778245710	/nfs/dbraw/zinc/24/57/10/778245710.db2.gz	WCYLRYSQQIAZRD-UHFFFAOYSA-N	-1	0	299.330	2.545	20	30		CFEDRM
C#Cc1cnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C#C)n1	ZINC001211961179	778296670	/nfs/dbraw/zinc/29/66/70/778296670.db2.gz	YZNWLJJNTOQHBA-UHFFFAOYSA-N	-1	0	297.701	2.534	20	30		CFEDRM
C[C@@H](Oc1ccccc1C=N[O-])C(=O)OC(C)(C)C	ZINC001234819770	778298897	/nfs/dbraw/zinc/29/88/97/778298897.db2.gz	PANPMOAAPSHWDJ-SNVBAGLBSA-N	-1	0	265.309	2.604	20	30		CFEDRM
[O-]N=Cc1ccccc1O[C@H]1CC(F)(F)C1(F)F	ZINC001234818786	778300702	/nfs/dbraw/zinc/30/07/02/778300702.db2.gz	DRWMZQOWXFKOLD-VIFPVBQESA-N	-1	0	263.190	2.916	20	30		CFEDRM
Cc1cc(=O)c2c(O[C@H](C)[C@H](C)S)cc([O-])cc2o1	ZINC001234818289	778302034	/nfs/dbraw/zinc/30/20/34/778302034.db2.gz	ICAVXLNIZDLSOU-BDAKNGLRSA-N	-1	0	280.345	2.893	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1[O-]	ZINC001235056562	778368964	/nfs/dbraw/zinc/36/89/64/778368964.db2.gz	AZTVUIUFZPGOHW-JTQLQIEISA-N	-1	0	299.143	2.782	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC001235149854	778397547	/nfs/dbraw/zinc/39/75/47/778397547.db2.gz	QOEBLVVBGCFGPH-QPJJXVBHSA-N	-1	0	280.283	2.727	20	30		CFEDRM
C=CC[C@H](OCCS(=O)(=O)[O-])c1ccc(Cl)cc1	ZINC001224571413	778579709	/nfs/dbraw/zinc/57/97/09/778579709.db2.gz	LAVQAMKBCLDHBV-LBPRGKRZSA-N	-1	0	290.768	2.862	20	30		CFEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)nc1	ZINC001235985034	778639619	/nfs/dbraw/zinc/63/96/19/778639619.db2.gz	IHLFAAOIWUCZMI-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1cnc(-c2c(F)cc(F)c([O-])c2F)c(C#N)c1	ZINC001235985710	778640410	/nfs/dbraw/zinc/64/04/10/778640410.db2.gz	NRWLWCOSYYFCDE-UHFFFAOYSA-N	-1	0	275.189	2.615	20	30		CFEDRM
N#Cc1cccc(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235988045	778642326	/nfs/dbraw/zinc/64/23/26/778642326.db2.gz	ZXTRFOIPGCAOOV-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1ccc2ncc(-c3ccc(C(=O)[O-])cc3)nc2c1	ZINC001236056780	778670950	/nfs/dbraw/zinc/67/09/50/778670950.db2.gz	MBWOQKNSQUBKKY-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])cc3)cc12	ZINC001236066382	778679710	/nfs/dbraw/zinc/67/97/10/778679710.db2.gz	VYYSWFAZGUQFTN-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
Cc1nc(-c2ccc(C(=O)[O-])c(C)c2Cl)cnc1C#N	ZINC001236115930	778699567	/nfs/dbraw/zinc/69/95/67/778699567.db2.gz	SKZCICGHZQVNGQ-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
CSc1ncc(C#N)c(-c2c(F)ccc(C)c2[O-])n1	ZINC001236391331	778799777	/nfs/dbraw/zinc/79/97/77/778799777.db2.gz	IMPMMWRFZRFWPD-UHFFFAOYSA-N	-1	0	275.308	2.890	20	30		CFEDRM
C[C@]1(CF)CC(F)(F)CN1Cc1cc(C#N)ccc1[O-]	ZINC001232674351	778962394	/nfs/dbraw/zinc/96/23/94/778962394.db2.gz	XTJURGYWRQSSFK-CYBMUJFWSA-N	-1	0	284.281	2.833	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234568013	779245570	/nfs/dbraw/zinc/24/55/70/779245570.db2.gz	KDKMJSFCLAFLNU-SECBINFHSA-N	-1	0	299.168	2.680	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(C)c2Cl)nc(C#N)n1	ZINC001236115121	779473441	/nfs/dbraw/zinc/47/34/41/779473441.db2.gz	XYOHPRFFPLBBHY-UHFFFAOYSA-N	-1	0	287.706	2.984	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001239257190	779486975	/nfs/dbraw/zinc/48/69/75/779486975.db2.gz	SXHUDJFNNQYLPU-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1nc(-c2cc(F)c(C(=O)[O-])c(F)c2)ccc1C#N	ZINC001239336946	779527193	/nfs/dbraw/zinc/52/71/93/779527193.db2.gz	NGPYVSBRFPUDST-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)cnc1F	ZINC001239351730	779531413	/nfs/dbraw/zinc/53/14/13/779531413.db2.gz	LSGHOJPSWHMTKC-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239366196	779539188	/nfs/dbraw/zinc/53/91/88/779539188.db2.gz	OJDXEJGOZAGBJF-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1cc(Nc2ccc(F)c(N)c2)c([O-])cc1F	ZINC001212345221	779640009	/nfs/dbraw/zinc/64/00/09/779640009.db2.gz	HCLMZLHCQMLGHW-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
CCN(CCC#N)Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237535484	779695920	/nfs/dbraw/zinc/69/59/20/779695920.db2.gz	SHBVTNNOFOTESR-UHFFFAOYSA-N	-1	0	274.151	2.830	20	30		CFEDRM
[O-]N=Cc1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1	ZINC001240241397	780023553	/nfs/dbraw/zinc/02/35/53/780023553.db2.gz	MQSJSVNMKMRAJZ-HAVNEIBRSA-N	-1	0	255.199	2.904	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1cc(F)ccc1[O-]	ZINC001240694195	780363617	/nfs/dbraw/zinc/36/36/17/780363617.db2.gz	QBQGQKFBSATUEC-UHFFFAOYSA-N	-1	0	288.278	2.756	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)c(C#N)c1	ZINC001240735274	780402820	/nfs/dbraw/zinc/40/28/20/780402820.db2.gz	VOMGXZHAXUWFDV-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cncc(CC#N)c1	ZINC001240737991	780405312	/nfs/dbraw/zinc/40/53/12/780405312.db2.gz	WQCXYRGEKDIPOB-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2nc3c(cc2C#N)CCC3)ccc1C(=O)[O-]	ZINC001240741736	780407960	/nfs/dbraw/zinc/40/79/60/780407960.db2.gz	UAXFHIWOIZPWIA-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3ccc(CC(=O)[O-])cc3)c2c1	ZINC001240971489	780559923	/nfs/dbraw/zinc/55/99/23/780559923.db2.gz	BIIHNNSPJRGZMS-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
C=CCn1ccc2c1ncnc2-c1ccc(CC(=O)[O-])cc1	ZINC001240972936	780561516	/nfs/dbraw/zinc/56/15/16/780561516.db2.gz	WXGWCNGOVGIRIZ-UHFFFAOYSA-N	-1	0	293.326	2.911	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nccc(F)c1C#N	ZINC001240999661	780583657	/nfs/dbraw/zinc/58/36/57/780583657.db2.gz	PUXMJCYBOWHDEA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(N)ccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212515175	780624631	/nfs/dbraw/zinc/62/46/31/780624631.db2.gz	QURUXPFZFULMOX-UHFFFAOYSA-N	-1	0	289.241	2.860	20	30		CFEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])c(F)c2)c1	ZINC001241185764	780689782	/nfs/dbraw/zinc/68/97/82/780689782.db2.gz	PXCZBPITPWQTOD-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])c(F)c3)cn12	ZINC001241186285	780691261	/nfs/dbraw/zinc/69/12/61/780691261.db2.gz	GCBMOEAPHCIIHV-UHFFFAOYSA-N	-1	0	281.246	2.710	20	30		CFEDRM
C#CCO[N-]C(=O)CSc1cc(Cl)ccc1Cl	ZINC000700610630	780705175	/nfs/dbraw/zinc/70/51/75/780705175.db2.gz	SQUGGJZBCJAVCW-UHFFFAOYSA-N	-1	0	290.171	2.767	20	30		CFEDRM
N#Cc1ccnc(-c2c(F)ccc([O-])c2F)c1F	ZINC001241291895	780763366	/nfs/dbraw/zinc/76/33/66/780763366.db2.gz	WKHPMTDRRKKCSX-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241350470	780802647	/nfs/dbraw/zinc/80/26/47/780802647.db2.gz	PDKZJGJKROOYLC-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#Cc1ccc2ncc(-c3cccc(C(=O)[O-])c3)nc2c1	ZINC001241358433	780807668	/nfs/dbraw/zinc/80/76/68/780807668.db2.gz	OHODKECVVBDVRR-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cccc(C(=O)[O-])c1)CCC2	ZINC001241358328	780807833	/nfs/dbraw/zinc/80/78/33/780807833.db2.gz	UTFITELIHATMAU-UHFFFAOYSA-N	-1	0	264.284	2.807	20	30		CFEDRM
N#Cc1c[nH]c2ccc(-c3cncc(C(=O)[O-])c3)cc12	ZINC001241801554	781132612	/nfs/dbraw/zinc/13/26/12/781132612.db2.gz	OTRSVIFXOKHKQR-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#CCc1ccc(-c2cncc(C(=O)[O-])c2)cc1F	ZINC001241801255	781132615	/nfs/dbraw/zinc/13/26/15/781132615.db2.gz	GLBVZEIWYPCMHB-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1ccc(-c2cc(CC#N)ccn2)cc1C(=O)[O-]	ZINC001241855865	781155737	/nfs/dbraw/zinc/15/57/37/781155737.db2.gz	GIXYDTYFPKPZIA-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2ncc(C)cc2/C=N/O)cc1C(=O)[O-]	ZINC001241856728	781156036	/nfs/dbraw/zinc/15/60/36/781156036.db2.gz	YJGAGVVGFMMUKL-CAOOACKPSA-N	-1	0	286.287	2.572	20	30		CFEDRM
COc1ccc(-c2ccc(CC#N)cn2)cc1C(=O)[O-]	ZINC001241856016	781156044	/nfs/dbraw/zinc/15/60/44/781156044.db2.gz	KCQRLCBUOLTQGP-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2c(C)ccnc2C#N)cc1C(=O)[O-]	ZINC001241881471	781162574	/nfs/dbraw/zinc/16/25/74/781162574.db2.gz	XLXNDKLLVBBWAI-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1ccc(-c2cc(C(F)(F)F)ccc2[O-])nn1	ZINC001242126007	781293583	/nfs/dbraw/zinc/29/35/83/781293583.db2.gz	FMUKJJDATURPKC-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cccc(CC#N)n1	ZINC001242204367	781324488	/nfs/dbraw/zinc/32/44/88/781324488.db2.gz	CDXACJIYXRPGDG-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(F)cc3[O-])ccc12	ZINC001242216300	781332627	/nfs/dbraw/zinc/33/26/27/781332627.db2.gz	SSIIKZJCMTWAQL-UHFFFAOYSA-N	-1	0	253.236	2.946	20	30		CFEDRM
COc1nc(-c2ccc(F)cc2[O-])c(F)cc1C#N	ZINC001242217896	781332946	/nfs/dbraw/zinc/33/29/46/781332946.db2.gz	MXEGXLNSCBNQAY-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2cccc(CC(=O)[O-])c2)n1	ZINC001242261738	781347026	/nfs/dbraw/zinc/34/70/26/781347026.db2.gz	LBSVAHSZCVGBOF-UHFFFAOYSA-N	-1	0	299.355	2.673	20	30		CFEDRM
C=CCc1cc(C)cnc1-c1ccc(C(=O)[O-])nc1	ZINC001242334077	781405013	/nfs/dbraw/zinc/40/50/13/781405013.db2.gz	KURODSBCAXUXIU-UHFFFAOYSA-N	-1	0	254.289	2.879	20	30		CFEDRM
N#Cc1nc2c(cccc2-c2ccc(C(=O)[O-])nc2)s1	ZINC001242337887	781409862	/nfs/dbraw/zinc/40/98/62/781409862.db2.gz	QQKQGZYQDWZYGI-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
COc1cc(-c2cccc(Cl)c2[O-])ncc1C#N	ZINC001242362825	781436417	/nfs/dbraw/zinc/43/64/17/781436417.db2.gz	TUFVXGXURRYZEB-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
Cc1cc(C#N)cnc1-c1cccc(C(=O)[O-])c1F	ZINC001242378256	781447118	/nfs/dbraw/zinc/44/71/18/781447118.db2.gz	OBPYXWILTJHAIY-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(C(=O)[O-])c1F)CCOC2	ZINC001242378845	781447811	/nfs/dbraw/zinc/44/78/11/781447811.db2.gz	OKHVZUWVNNAIDG-UHFFFAOYSA-N	-1	0	298.273	2.530	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3cccc(C(=O)[O-])c3F)cc12	ZINC001242379614	781447998	/nfs/dbraw/zinc/44/79/98/781447998.db2.gz	HBRIRVFZDPZEJM-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#CCc1ncccc1-c1cccc(C(=O)[O-])c1F	ZINC001242380083	781449173	/nfs/dbraw/zinc/44/91/73/781449173.db2.gz	XLOLDPCCXDLRTR-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
O=C([O-])c1cccc(-c2ccccc2C=NO)c1F	ZINC001242381554	781449981	/nfs/dbraw/zinc/44/99/81/781449981.db2.gz	DRQVTYUEIUUWDS-UHFFFAOYSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ncc(C)cc1/C=N/O	ZINC001242389648	781457874	/nfs/dbraw/zinc/45/78/74/781457874.db2.gz	SPWNZYNRZBMSKZ-CAOOACKPSA-N	-1	0	286.287	2.572	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cn1cc(C)c2ccccc21	ZINC001118333241	781578897	/nfs/dbraw/zinc/57/88/97/781578897.db2.gz	IHRFWKAZZVFDJV-LBPRGKRZSA-N	-1	0	258.321	2.572	20	30		CFEDRM
Cc1nnc(-c2cccc([O-])c2Cl)c(C#N)c1C	ZINC001242798757	781763849	/nfs/dbraw/zinc/76/38/49/781763849.db2.gz	YFYQUYBUORZLEE-UHFFFAOYSA-N	-1	0	259.696	2.991	20	30		CFEDRM
COc1ncc(-c2cccc([O-])c2Cl)cc1C#N	ZINC001242801159	781766284	/nfs/dbraw/zinc/76/62/84/781766284.db2.gz	YKUXSHBVVZWUFF-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
CCc1nc(C#N)c(C#N)nc1-c1cccc([S-])c1	ZINC001242863731	781808743	/nfs/dbraw/zinc/80/87/43/781808743.db2.gz	HKUZHTWIPDDQCZ-UHFFFAOYSA-N	-1	0	266.329	2.738	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1ccccc1C(=O)[O-]	ZINC001242879650	781818561	/nfs/dbraw/zinc/81/85/61/781818561.db2.gz	ZITZOEKSQJOUSZ-UHFFFAOYSA-N	-1	0	298.298	2.610	20	30		CFEDRM
COC(=O)c1cc(-c2ccccc2C(=O)[O-])ccc1C#N	ZINC001242881213	781821198	/nfs/dbraw/zinc/82/11/98/781821198.db2.gz	STCIWQAWHCDVRY-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C)c(C#N)cn1	ZINC001242919676	781841178	/nfs/dbraw/zinc/84/11/78/781841178.db2.gz	BBFSFFJHHUUNHN-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccccc1C=NO	ZINC001242927779	781849457	/nfs/dbraw/zinc/84/94/57/781849457.db2.gz	ZUMQRGYJRUSLHE-UHFFFAOYSA-N	-1	0	271.272	2.869	20	30		CFEDRM
Cc1cc(C#N)cc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)n1	ZINC000594541413	349444160	/nfs/dbraw/zinc/44/41/60/349444160.db2.gz	UIKXDSOUAJJKSC-KGYLQXTDSA-N	-1	0	287.363	2.809	20	30		CFEDRM
C=CCOCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000594736116	349484635	/nfs/dbraw/zinc/48/46/35/349484635.db2.gz	QARZKUVWOPYDKM-UHFFFAOYSA-N	-1	0	294.307	2.606	20	30		CFEDRM
Cc1ccc(-c2cnn([C@@H](C)CC(=O)[O-])c2)c(C#N)c1	ZINC000594871962	349491536	/nfs/dbraw/zinc/49/15/36/349491536.db2.gz	JKFPOXSPWFLIRD-NSHDSACASA-N	-1	0	269.304	2.766	20	30		CFEDRM
N#Cc1ccc([N+](=O)[O-])c(NC2CCC(C(=O)[O-])CC2)c1	ZINC000124585183	187144089	/nfs/dbraw/zinc/14/40/89/187144089.db2.gz	ITTYJBQCLPFROX-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
CCC(CC)(CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000125802088	282122973	/nfs/dbraw/zinc/12/29/73/282122973.db2.gz	YGAVZZJYKZTKOV-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
CC1(C(=O)[N-]S(=O)(=O)c2cccs2)CCCC1	ZINC000069579132	346896602	/nfs/dbraw/zinc/89/66/02/346896602.db2.gz	HGFWSOWFPKTOJD-UHFFFAOYSA-N	-1	0	273.379	2.974	20	30		CFEDRM
N#Cc1c(Cl)cccc1NCCCCC(=O)[O-]	ZINC000070200216	346907952	/nfs/dbraw/zinc/90/79/52/346907952.db2.gz	JJBPWJJROGLMKE-UHFFFAOYSA-N	-1	0	252.701	2.878	20	30		CFEDRM
Cc1c(Cl)cnc(N2C[C@H](C(=O)[O-])CC[C@H]2C)c1C#N	ZINC000595972342	349773883	/nfs/dbraw/zinc/77/38/83/349773883.db2.gz	ASYBPMGPEIKJKI-PSASIEDQSA-N	-1	0	293.754	2.605	20	30		CFEDRM
CCCC[C@H](COC)N=c1[n-]c(C#N)c(Cl)s1	ZINC000596128935	349801238	/nfs/dbraw/zinc/80/12/38/349801238.db2.gz	AHWYPKAZMTUHLR-MRVPVSSYSA-N	-1	0	273.789	2.707	20	30		CFEDRM
N#Cc1nc(NC[C@H]2CCCC2(F)F)sc1Cl	ZINC000596254665	349842071	/nfs/dbraw/zinc/84/20/71/349842071.db2.gz	LUUMFFCFBMOBRJ-ZCFIWIBFSA-N	-1	0	277.727	2.937	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000041574555	346353248	/nfs/dbraw/zinc/35/32/48/346353248.db2.gz	ADFYAGVLUXTZJT-LLVKDONJSA-N	-1	0	286.360	2.657	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000076766690	347151699	/nfs/dbraw/zinc/15/16/99/347151699.db2.gz	UBYSEPANFNJYEG-RMKNXTFCSA-N	-1	0	291.372	2.787	20	30		CFEDRM
C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000080251454	347352257	/nfs/dbraw/zinc/35/22/57/347352257.db2.gz	ILBWZOKOXWWCJF-VXGBXAGGSA-N	-1	0	296.392	2.943	20	30		CFEDRM
CC(C)[C@H](C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000081369074	347415765	/nfs/dbraw/zinc/41/57/65/347415765.db2.gz	IABIOGQOPZRNDM-JTQLQIEISA-N	-1	0	275.333	2.768	20	30		CFEDRM
N#Cc1cc(NC2(CC(=O)[O-])CCC2)nc2ccccc12	ZINC000094291306	347694991	/nfs/dbraw/zinc/69/49/91/347694991.db2.gz	XVLCVYCLCNFJTJ-UHFFFAOYSA-N	-1	0	281.315	2.916	20	30		CFEDRM
N#Cc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)nc2ccccc12	ZINC000097065814	347706210	/nfs/dbraw/zinc/70/62/10/347706210.db2.gz	GVHTYZYPDDOFEM-PWSUYJOCSA-N	-1	0	281.315	2.772	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc(-c2ccncc2)cs1	ZINC000114621242	347774193	/nfs/dbraw/zinc/77/41/93/347774193.db2.gz	NPMSDYNNGWIJLM-SNVBAGLBSA-N	-1	0	296.311	2.683	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c3c(c2=O)CCCCC3)c1	ZINC000107892468	347736901	/nfs/dbraw/zinc/73/69/01/347736901.db2.gz	CHKCFMUTNVQVJY-CYBMUJFWSA-N	-1	0	253.305	2.841	20	30		CFEDRM
Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NO	ZINC000671995287	539569739	/nfs/dbraw/zinc/56/97/39/539569739.db2.gz	ITCVZYINUNVKAP-UHFFFAOYSA-N	-1	0	262.334	2.854	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1Cl	ZINC000132654568	347886324	/nfs/dbraw/zinc/88/63/24/347886324.db2.gz	OYBNHRYKKDTOLZ-QWRGUYRKSA-N	-1	0	292.722	2.651	20	30		CFEDRM
CCCc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1	ZINC000187628357	348131073	/nfs/dbraw/zinc/13/10/73/348131073.db2.gz	HITGZIHVFCBZEQ-IJDCCNJMSA-N	-1	0	298.338	2.867	20	30		CFEDRM
C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1C(=O)[O-]	ZINC000302557675	348373973	/nfs/dbraw/zinc/37/39/73/348373973.db2.gz	XHUKWWVPTOFCSE-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1csc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C#N	ZINC000585818415	348746276	/nfs/dbraw/zinc/74/62/76/348746276.db2.gz	OKLGDODGQLITFJ-VHSXEESVSA-N	-1	0	290.344	2.534	20	30		CFEDRM
N#Cc1cc(CSc2nc(C(F)F)cc(=O)[nH]2)ccn1	ZINC000589261736	348823489	/nfs/dbraw/zinc/82/34/89/348823489.db2.gz	VYUDPMACZZFJQM-UHFFFAOYSA-N	-1	0	294.286	2.679	20	30		CFEDRM
Cc1n[nH]c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1[O-]	ZINC000590477914	348902756	/nfs/dbraw/zinc/90/27/56/348902756.db2.gz	JSCVFNXFUOCJAY-ZDUSSCGKSA-N	-1	0	298.346	2.589	20	30		CFEDRM
Cc1n[nH]c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1[O-]	ZINC000590477913	348902960	/nfs/dbraw/zinc/90/29/60/348902960.db2.gz	JSCVFNXFUOCJAY-CYBMUJFWSA-N	-1	0	298.346	2.589	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCc2ccc(CC#N)cc2)s1	ZINC000591959951	349065685	/nfs/dbraw/zinc/06/56/85/349065685.db2.gz	KHDVIGNNCYRZRO-UHFFFAOYSA-N	-1	0	286.404	2.936	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(N[C@@H]3CC[C@H](C(=O)[O-])C3)c2c1	ZINC000592421539	349118987	/nfs/dbraw/zinc/11/89/87/349118987.db2.gz	VTVIFXILGHSRHL-WCQYABFASA-N	-1	0	295.342	2.502	20	30		CFEDRM
Cc1c(C#N)c(=NC(=O)c2ccc(C(C)(C)C)cc2)[n-]n1C	ZINC000592647421	349145666	/nfs/dbraw/zinc/14/56/66/349145666.db2.gz	SEYZYFJFJGZXJX-UHFFFAOYSA-N	-1	0	296.374	2.572	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc2cc(F)ccc2s1	ZINC000592975751	349179489	/nfs/dbraw/zinc/17/94/89/349179489.db2.gz	OTQSYKIBVDRTNW-QMMMGPOBSA-N	-1	0	287.275	2.913	20	30		CFEDRM
N#CCCCCC(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000593965537	349341559	/nfs/dbraw/zinc/34/15/59/349341559.db2.gz	TXCGOAOKABZPEH-UHFFFAOYSA-N	-1	0	286.360	2.649	20	30		CFEDRM
N#Cc1ccc(CSc2n[n-]c(=NC3CC3)s2)s1	ZINC000594437772	349422829	/nfs/dbraw/zinc/42/28/29/349422829.db2.gz	PFIJTRLXAALOBA-UHFFFAOYSA-N	-1	0	294.430	2.760	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000398111257	539761761	/nfs/dbraw/zinc/76/17/61/539761761.db2.gz	YPXGBIWIWWLTST-GFCCVEGCSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000597996974	350175684	/nfs/dbraw/zinc/17/56/84/350175684.db2.gz	CHAZGKSCECFIFY-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
C[C@H]1C[C@@H]1c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000601064124	350656866	/nfs/dbraw/zinc/65/68/66/350656866.db2.gz	MRQVNMIGJJOHHW-FZMZJTMJSA-N	-1	0	294.358	2.782	20	30		CFEDRM
CCC[C@H](CC1CCCC1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601641056	350751929	/nfs/dbraw/zinc/75/19/29/350751929.db2.gz	NAUXVGBYNIYWMA-GFCCVEGCSA-N	-1	0	274.368	2.638	20	30		CFEDRM
CC[C@H](CC1CCCCC1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601641067	350752047	/nfs/dbraw/zinc/75/20/47/350752047.db2.gz	NFAPCYYJWHXCHR-GFCCVEGCSA-N	-1	0	274.368	2.638	20	30		CFEDRM
Cc1[n-]n(CCCOCc2ccccc2)c(=O)c1CCC#N	ZINC000601954613	350817847	/nfs/dbraw/zinc/81/78/47/350817847.db2.gz	QIQUCZRAOOZDPF-MRXNPFEDSA-N	-1	0	299.374	2.731	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C#N)c(F)c1	ZINC000601982681	350823346	/nfs/dbraw/zinc/82/33/46/350823346.db2.gz	AIFTXMUOPKGNBT-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601933348	350806766	/nfs/dbraw/zinc/80/67/66/350806766.db2.gz	XIWGEWZYBJQNFJ-MFKMUULPSA-N	-1	0	253.305	2.697	20	30		CFEDRM
C[C@H](CC#N)n1[n-]c(-c2ccc(Cl)cc2F)cc1=O	ZINC000601935121	350807984	/nfs/dbraw/zinc/80/79/84/350807984.db2.gz	HHLUBMDGVVEQGJ-MRVPVSSYSA-N	-1	0	279.702	2.718	20	30		CFEDRM
Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1CCC#N	ZINC000601939520	350809996	/nfs/dbraw/zinc/80/99/96/350809996.db2.gz	LNAFRDKGABXWIG-NSHDSACASA-N	-1	0	286.291	2.546	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000602013803	350831333	/nfs/dbraw/zinc/83/13/33/350831333.db2.gz	ZAIGLGLSCBLYPT-GHMZBOCLSA-N	-1	0	287.425	2.690	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000601992694	350824984	/nfs/dbraw/zinc/82/49/84/350824984.db2.gz	RZDPIJRFPHJFEI-UHFFFAOYSA-N	-1	0	274.320	2.696	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1F	ZINC000601994707	350825005	/nfs/dbraw/zinc/82/50/05/350825005.db2.gz	ZEGSQWWRDVAGDS-AWEZNQCLSA-N	-1	0	278.283	2.527	20	30		CFEDRM
COc1ccc(-c2n[n-]c(=N[C@H]3CC[C@@H](CC#N)C3)o2)cc1	ZINC000603390071	351154365	/nfs/dbraw/zinc/15/43/65/351154365.db2.gz	VLOKMXRDNHPWQL-AAEUAGOBSA-N	-1	0	298.346	2.661	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=N[C@H]2CC[C@@H](CC#N)C2)o1	ZINC000603390378	351154602	/nfs/dbraw/zinc/15/46/02/351154602.db2.gz	YURXJEZSMJUUAR-QWRGUYRKSA-N	-1	0	262.357	2.673	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCc2ccc(C#N)c(F)c2)o1	ZINC000603390439	351154725	/nfs/dbraw/zinc/15/47/25/351154725.db2.gz	JWPQOYPVZBPTTK-UHFFFAOYSA-N	-1	0	288.326	2.802	20	30		CFEDRM
O=C(N=c1cccn[n-]1)c1ccc(C#Cc2ccccc2)cc1	ZINC000605468276	351248375	/nfs/dbraw/zinc/24/83/75/351248375.db2.gz	PGNURQKZCXFSSI-UHFFFAOYSA-N	-1	0	299.333	2.551	20	30		CFEDRM
C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(C#N)c1	ZINC000610334899	351554916	/nfs/dbraw/zinc/55/49/16/351554916.db2.gz	CFZCGDYBNWCPSL-LLVKDONJSA-N	-1	0	288.347	2.626	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cn1	ZINC000611305110	351667054	/nfs/dbraw/zinc/66/70/54/351667054.db2.gz	SDZVLBKTFXXKNI-UHFFFAOYSA-N	-1	0	299.355	2.631	20	30		CFEDRM
N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1ccccn1	ZINC000613296716	351934546	/nfs/dbraw/zinc/93/45/46/351934546.db2.gz	WJEJSHHQFRPQIF-LLVKDONJSA-N	-1	0	278.271	2.555	20	30		CFEDRM
CCc1ccccc1CNC(=O)c1cc(O)cc(C#N)c1	ZINC000614370083	352086123	/nfs/dbraw/zinc/08/61/23/352086123.db2.gz	VDEYKPRYYWENNX-UHFFFAOYSA-N	-1	0	280.327	2.756	20	30		CFEDRM
CC(C)C[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1	ZINC000614370616	352086485	/nfs/dbraw/zinc/08/64/85/352086485.db2.gz	XGPBVJOVTAPEEC-LBPRGKRZSA-N	-1	0	272.348	2.772	20	30		CFEDRM
CO[C@H](C)c1nc(=N[C@@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000619745007	353062806	/nfs/dbraw/zinc/06/28/06/353062806.db2.gz	ZNXFPUYMPGBJGJ-VHSXEESVSA-N	-1	0	288.376	2.712	20	30		CFEDRM
C[C@@H](CN(C)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-]	ZINC000263565037	295888869	/nfs/dbraw/zinc/88/88/69/295888869.db2.gz	VGVXEKVPXUPZGK-QMMMGPOBSA-N	-1	0	286.253	2.734	20	30		CFEDRM
N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2ccccc2o1	ZINC000528927747	383679692	/nfs/dbraw/zinc/67/96/92/383679692.db2.gz	KTKGEADHIWODTR-GFCCVEGCSA-N	-1	0	292.298	2.849	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1cc(C(=O)[O-])oc1C	ZINC000630229564	355030903	/nfs/dbraw/zinc/03/09/03/355030903.db2.gz	SIAIXDOKKQRWQP-UHFFFAOYSA-N	-1	0	265.309	2.618	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630289324	355038877	/nfs/dbraw/zinc/03/88/77/355038877.db2.gz	OOZPCYQSNTWCMM-SNVBAGLBSA-N	-1	0	265.284	2.608	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000630180945	355023871	/nfs/dbraw/zinc/02/38/71/355023871.db2.gz	FBZOBOFYIWIFIB-SNVBAGLBSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1C)C(=O)[O-]	ZINC000630183466	355024311	/nfs/dbraw/zinc/02/43/11/355024311.db2.gz	XFVFNAHPZGDXOL-ZFWWWQNUSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(=O)[O-]	ZINC000630183428	355024613	/nfs/dbraw/zinc/02/46/13/355024613.db2.gz	WGOKZBOEJUUBOP-RRFJBIMHSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc(C)c(C(=O)[O-])o2)C1	ZINC000630206908	355027751	/nfs/dbraw/zinc/02/77/51/355027751.db2.gz	XHWSAGOKGOSLLH-NSHDSACASA-N	-1	0	277.320	2.715	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CCc1ccccc1C(=O)[O-]	ZINC000630301870	355046636	/nfs/dbraw/zinc/04/66/36/355046636.db2.gz	RBFGQHHUSVNXPP-AWEZNQCLSA-N	-1	0	287.359	2.885	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(OCCC)c1)C(=O)[O-]	ZINC000630317834	355049552	/nfs/dbraw/zinc/04/95/52/355049552.db2.gz	BIDHBFJBXHVXBJ-CQSZACIVSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1sc(CCC)nc1C)C(=O)[O-]	ZINC000630317485	355049656	/nfs/dbraw/zinc/04/96/56/355049656.db2.gz	QKJZUBHPWWCVSD-SNVBAGLBSA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000630320199	355049992	/nfs/dbraw/zinc/04/99/92/355049992.db2.gz	QPQFFLMISUZUAI-LBPRGKRZSA-N	-1	0	279.311	2.592	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000630319942	355050000	/nfs/dbraw/zinc/05/00/00/355050000.db2.gz	LKYJRDDGQKKTCG-GXTWGEPZSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000630320524	355050735	/nfs/dbraw/zinc/05/07/35/355050735.db2.gz	YTEJYCHCVNIWFI-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000630321299	355051018	/nfs/dbraw/zinc/05/10/18/355051018.db2.gz	HKNNVILDEAIVOG-AWEZNQCLSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000630326978	355053092	/nfs/dbraw/zinc/05/30/92/355053092.db2.gz	UTDBIMJKCZVRLT-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000630475149	355092188	/nfs/dbraw/zinc/09/21/88/355092188.db2.gz	DOMVEWORGDFZCJ-XIKARTHZSA-N	-1	0	280.368	2.522	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC000630482862	355092912	/nfs/dbraw/zinc/09/29/12/355092912.db2.gz	JZRVERLNEMOXLE-NSHDSACASA-N	-1	0	282.384	2.626	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000630484497	355093508	/nfs/dbraw/zinc/09/35/08/355093508.db2.gz	YZXYTVAIQCXIPJ-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N[C@@](C)(C(=O)[O-])C1CC1	ZINC000630496154	355095177	/nfs/dbraw/zinc/09/51/77/355095177.db2.gz	XYDOZRBUKIDDKN-OAHLLOKOSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1csc(C)c1C)C(=O)[O-]	ZINC000630495673	355095209	/nfs/dbraw/zinc/09/52/09/355095209.db2.gz	RSVKMQLAESPRLR-LBPRGKRZSA-N	-1	0	296.392	2.584	20	30		CFEDRM
C=CCOc1cccc(NC(=O)NCCCCC(=O)[O-])c1	ZINC000669496925	540202688	/nfs/dbraw/zinc/20/26/88/540202688.db2.gz	OZUHOSYLPKBUAM-UHFFFAOYSA-N	-1	0	292.335	2.628	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(F)c(F)c2[O-])C1	ZINC000633383739	355883096	/nfs/dbraw/zinc/88/30/96/355883096.db2.gz	LPWBHBDALZVUEM-UHFFFAOYSA-N	-1	0	253.248	2.965	20	30		CFEDRM
C=C1CC(C)(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)C1	ZINC000633601013	355943237	/nfs/dbraw/zinc/94/32/37/355943237.db2.gz	CEFSRFPBIHTQTG-UHFFFAOYSA-N	-1	0	271.320	2.695	20	30		CFEDRM
Cc1conc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000634011829	356058240	/nfs/dbraw/zinc/05/82/40/356058240.db2.gz	JNHXGWHDXSMVFR-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1	ZINC000683307486	540750632	/nfs/dbraw/zinc/75/06/32/540750632.db2.gz	KLSFHFCAQQRWOU-SWLSCSKDSA-N	-1	0	289.375	2.962	20	30		CFEDRM
N#Cc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1	ZINC000426797434	239264155	/nfs/dbraw/zinc/26/41/55/239264155.db2.gz	BHMBGIHQYDNBBP-ZDUSSCGKSA-N	-1	0	272.329	2.535	20	30		CFEDRM
Cc1ccccc1[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000116442288	376190430	/nfs/dbraw/zinc/19/04/30/376190430.db2.gz	OAPCXAYSKUTWDB-LLVKDONJSA-N	-1	0	293.330	2.594	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N[C@H](CCC)C(=O)[O-])c1	ZINC000574110353	334993165	/nfs/dbraw/zinc/99/31/65/334993165.db2.gz	XPPZTCVGLTXTFO-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519806	260655833	/nfs/dbraw/zinc/65/58/33/260655833.db2.gz	ZGBKQJBDGUEEFE-UHFFFAOYSA-N	-1	0	277.292	2.656	20	30		CFEDRM
CCCn1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435337425	240304617	/nfs/dbraw/zinc/30/46/17/240304617.db2.gz	VWZZIHRWIAPRGN-DHZHZOJOSA-N	-1	0	282.347	2.722	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(C(F)F)s2)ccc1C#N	ZINC000446963399	241343498	/nfs/dbraw/zinc/34/34/98/241343498.db2.gz	XTJLLSQTIATJRU-UHFFFAOYSA-N	-1	0	280.303	2.690	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000019269495	372152871	/nfs/dbraw/zinc/15/28/71/372152871.db2.gz	OZLXPDZBDPXXMI-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
C=C(C)CN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000019845367	372198718	/nfs/dbraw/zinc/19/87/18/372198718.db2.gz	SKVJNYONQRTUHN-UHFFFAOYSA-N	-1	0	264.281	2.695	20	30		CFEDRM
N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc2ccccc2o1	ZINC000041540218	372848255	/nfs/dbraw/zinc/84/82/55/372848255.db2.gz	VLTZJYBAOOVOOH-SNVBAGLBSA-N	-1	0	292.298	2.918	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)c1	ZINC000048518094	373193769	/nfs/dbraw/zinc/19/37/69/373193769.db2.gz	WMENBEHYLFKGJC-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000574489606	335023462	/nfs/dbraw/zinc/02/34/62/335023462.db2.gz	UMWFKQCQMGSVRQ-KRTXAFLBSA-N	-1	0	285.702	2.714	20	30		CFEDRM
CC(C)(CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)[O-]	ZINC000078880211	374570787	/nfs/dbraw/zinc/57/07/87/374570787.db2.gz	YWFYMJNPADZZGO-UHFFFAOYSA-N	-1	0	280.711	2.651	20	30		CFEDRM
CCOc1ncccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000093242853	375199274	/nfs/dbraw/zinc/19/92/74/375199274.db2.gz	WTBDJVPAINDRFJ-NSHDSACASA-N	-1	0	287.344	2.735	20	30		CFEDRM
COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000097261612	375546466	/nfs/dbraw/zinc/54/64/66/375546466.db2.gz	OESFSDDPUIWTPC-NSHDSACASA-N	-1	0	295.298	2.792	20	30		CFEDRM
CC#CCCNS(=O)(=O)c1cc2cccc(C)c2s1	ZINC000645642826	383725464	/nfs/dbraw/zinc/72/54/64/383725464.db2.gz	JOIQRMCZXMATPV-UHFFFAOYSA-N	-1	0	293.413	2.901	20	30		CFEDRM
N#Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2c1	ZINC000154235301	378550923	/nfs/dbraw/zinc/55/09/23/378550923.db2.gz	DVCFEULDNDWWTL-UHFFFAOYSA-N	-1	0	280.243	2.715	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)o1	ZINC000334403451	379238803	/nfs/dbraw/zinc/23/88/03/379238803.db2.gz	DVXRLZUXNDODCD-UHFFFAOYSA-N	-1	0	288.737	2.667	20	30		CFEDRM
CC1=C(C)C[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000335565791	379520683	/nfs/dbraw/zinc/52/06/83/379520683.db2.gz	QJHWZDNPEQGKAT-GFCCVEGCSA-N	-1	0	284.363	2.656	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC[C@H]2C)[n-]1	ZINC000335605436	379592185	/nfs/dbraw/zinc/59/21/85/379592185.db2.gz	RFXKXXFNYBVWKA-YPMHNXCESA-N	-1	0	274.368	2.522	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)o1	ZINC000334739044	379856036	/nfs/dbraw/zinc/85/60/36/379856036.db2.gz	KRBSNQIGMIPXLA-UHFFFAOYSA-N	-1	0	298.270	2.890	20	30		CFEDRM
Cc1cc(C(=O)Nc2scc(C)c2C#N)ns1	ZINC000335992273	380207218	/nfs/dbraw/zinc/20/72/18/380207218.db2.gz	JTDXAKNOCLBLPS-UHFFFAOYSA-N	-1	0	263.347	2.945	20	30		CFEDRM
CN(CC(C)(C)C#N)C(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000336292736	380310329	/nfs/dbraw/zinc/31/03/29/380310329.db2.gz	AIQBFXHCHYBATE-UHFFFAOYSA-N	-1	0	284.718	2.806	20	30		CFEDRM
Cc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1	ZINC000179917201	380596462	/nfs/dbraw/zinc/59/64/62/380596462.db2.gz	RCRJHUVKCARPBA-LLVKDONJSA-N	-1	0	292.298	2.725	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c(C)o1	ZINC000180735617	380695339	/nfs/dbraw/zinc/69/53/39/380695339.db2.gz	QQEWYAWJXZXLBJ-UHFFFAOYSA-N	-1	0	294.307	2.708	20	30		CFEDRM
CCCC(CCC)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410537406	380982426	/nfs/dbraw/zinc/98/24/26/380982426.db2.gz	CQJGRICBASRXRV-UHFFFAOYSA-N	-1	0	276.384	2.912	20	30		CFEDRM
CC(C)C[C@@H]1C[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000410541393	380983420	/nfs/dbraw/zinc/98/34/20/380983420.db2.gz	SOLOTLGTLDXXFY-DGCLKSJQSA-N	-1	0	288.395	2.552	20	30		CFEDRM
C=C(C)Cn1c([C@H](C)CC)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000358826871	381108814	/nfs/dbraw/zinc/10/88/14/381108814.db2.gz	JDZFOXAAFKDXAT-SNVBAGLBSA-N	-1	0	288.399	2.873	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000183860733	381331017	/nfs/dbraw/zinc/33/10/17/381331017.db2.gz	IPIJQZKKGHKKIX-VIFPVBQESA-N	-1	0	275.333	2.539	20	30		CFEDRM
CC(C)(CC(=O)Nc1ccc(CC#N)cc1Cl)C(=O)[O-]	ZINC000414083343	381559612	/nfs/dbraw/zinc/55/96/12/381559612.db2.gz	DHWMQIWXMZBFQZ-UHFFFAOYSA-N	-1	0	294.738	2.845	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)c1cccc(CC(C)C)c1	ZINC000291299469	381739906	/nfs/dbraw/zinc/73/99/06/381739906.db2.gz	QLUZGKIWAFLLDU-CYBMUJFWSA-N	-1	0	259.349	2.670	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(C(C)(C)C)s1	ZINC000291831314	381774968	/nfs/dbraw/zinc/77/49/68/381774968.db2.gz	GHLDHCLPWWXXEG-UHFFFAOYSA-N	-1	0	289.426	2.544	20	30		CFEDRM
N#CCC1(CN=c2[n-]c(-c3cccc(Cl)c3)no2)CC1	ZINC000362359760	382024314	/nfs/dbraw/zinc/02/43/14/382024314.db2.gz	POZUIODHZOZHTN-UHFFFAOYSA-N	-1	0	288.738	2.918	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc(C(=O)[O-])cc1	ZINC000352027445	382138098	/nfs/dbraw/zinc/13/80/98/382138098.db2.gz	PDLVQXAMKWGCQZ-VMPITWQZSA-N	-1	0	250.257	2.822	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000345367359	382299616	/nfs/dbraw/zinc/29/96/16/382299616.db2.gz	DPNXLGFVGMJBCH-SNVBAGLBSA-N	-1	0	280.287	2.658	20	30		CFEDRM
Cc1nc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2o1	ZINC000188234641	382373988	/nfs/dbraw/zinc/37/39/88/382373988.db2.gz	JQTZWNFKGVHIGY-UHFFFAOYSA-N	-1	0	293.282	2.966	20	30		CFEDRM
Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F	ZINC000188248666	382376831	/nfs/dbraw/zinc/37/68/31/382376831.db2.gz	ZVLLIANNEFVNPE-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1csc([C@@H](C)NC(=O)c2ccc(C#N)c(O)c2)n1	ZINC000188431079	382412486	/nfs/dbraw/zinc/41/24/86/382412486.db2.gz	POPADRWOAWQOEW-SECBINFHSA-N	-1	0	287.344	2.520	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1	ZINC000188879897	382498350	/nfs/dbraw/zinc/49/83/50/382498350.db2.gz	ZRYZKTDJHZDWPL-HUUCEWRRSA-N	-1	0	275.348	2.921	20	30		CFEDRM
CCCCc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1	ZINC000190859949	382682835	/nfs/dbraw/zinc/68/28/35/382682835.db2.gz	FKLYABKRWUFSEE-UHFFFAOYSA-N	-1	0	284.319	2.582	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000398200264	382635335	/nfs/dbraw/zinc/63/53/35/382635335.db2.gz	DZTQBJXYCHXSLX-GFCCVEGCSA-N	-1	0	282.384	2.770	20	30		CFEDRM
COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000193276191	382717861	/nfs/dbraw/zinc/71/78/61/382717861.db2.gz	BORXRZVWDUQIQI-LLVKDONJSA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000336831450	382726521	/nfs/dbraw/zinc/72/65/21/382726521.db2.gz	JGDRAKITUUPINZ-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000194464383	382744705	/nfs/dbraw/zinc/74/47/05/382744705.db2.gz	DVVNUYCBKHUSOO-VHDGCEQUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCSCCNC(=O)c1ccc([O-])c(Cl)c1	ZINC000194581726	382749089	/nfs/dbraw/zinc/74/90/89/382749089.db2.gz	UAGFVZKWMMPADP-UHFFFAOYSA-N	-1	0	271.769	2.695	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C)s2)n1	ZINC000194678202	382751806	/nfs/dbraw/zinc/75/18/06/382751806.db2.gz	CLLJIKTZRCRUSH-QMMMGPOBSA-N	-1	0	263.347	2.707	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)n(C)n2)n1	ZINC000442598291	382938047	/nfs/dbraw/zinc/93/80/47/382938047.db2.gz	CQMLRFASYAUPRO-SNVBAGLBSA-N	-1	0	286.360	2.553	20	30		CFEDRM
Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000442653738	382941051	/nfs/dbraw/zinc/94/10/51/382941051.db2.gz	PDPRNZJIZCOFBP-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
C=C(C)CN(CC)C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000236916757	382931803	/nfs/dbraw/zinc/93/18/03/382931803.db2.gz	YDMINTFUBFQZCY-JXMROGBWSA-N	-1	0	273.332	2.823	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1	ZINC000543573697	382971543	/nfs/dbraw/zinc/97/15/43/382971543.db2.gz	FRNLURSRIMDOAB-LLVKDONJSA-N	-1	0	294.314	2.966	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457289725	383012886	/nfs/dbraw/zinc/01/28/86/383012886.db2.gz	JBASVGKINMNTKN-CQSZACIVSA-N	-1	0	285.290	2.838	20	30		CFEDRM
CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000553483756	383109864	/nfs/dbraw/zinc/10/98/64/383109864.db2.gz	YMDDAVRSXWIMBI-AAEUAGOBSA-N	-1	0	296.392	2.788	20	30		CFEDRM
C=CCCCCCNC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000566419894	383186272	/nfs/dbraw/zinc/18/62/72/383186272.db2.gz	CADROUJHKHIRFD-SNVBAGLBSA-N	-1	0	298.412	2.535	20	30		CFEDRM
C=C[C@@H]1CCCCN1c1nc(C(=O)[O-])c(C)s1	ZINC000566290099	383186343	/nfs/dbraw/zinc/18/63/43/383186343.db2.gz	AUHNJHDJVOJBMJ-SECBINFHSA-N	-1	0	252.339	2.695	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncoc2C2CC2)n1	ZINC000515358592	383159306	/nfs/dbraw/zinc/15/93/06/383159306.db2.gz	DNHFMWBMHDJIQB-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
N#CCc1ccc(CN=c2[n-]nc(C(F)F)s2)cc1	ZINC000563710470	383167646	/nfs/dbraw/zinc/16/76/46/383167646.db2.gz	VOGDSGHOPQHGQU-UHFFFAOYSA-N	-1	0	280.303	2.576	20	30		CFEDRM
C=C1CCN(C(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)CC1	ZINC000634912140	383400863	/nfs/dbraw/zinc/40/08/63/383400863.db2.gz	TXPVTZZBTIZTBS-HNNXBMFYSA-N	-1	0	293.388	2.659	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)CC2(C(=O)[O-])CCCC2)C1	ZINC000634926854	383407459	/nfs/dbraw/zinc/40/74/59/383407459.db2.gz	BRULIVVKJDXJBV-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c1	ZINC000634818554	383367516	/nfs/dbraw/zinc/36/75/16/383367516.db2.gz	PCGYADHDDPJXCH-KBPBESRZSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1	ZINC000634818555	383367864	/nfs/dbraw/zinc/36/78/64/383367864.db2.gz	PCGYADHDDPJXCH-KGLIPLIRSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000634818557	383367885	/nfs/dbraw/zinc/36/78/85/383367885.db2.gz	PCGYADHDDPJXCH-ZIAGYGMSSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCCCNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634832779	383372707	/nfs/dbraw/zinc/37/27/07/383372707.db2.gz	MJLFMNUGEYLRKM-CQSZACIVSA-N	-1	0	281.377	2.563	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000634844087	383378062	/nfs/dbraw/zinc/37/80/62/383378062.db2.gz	CWHCWDUGXPCZTN-OLZOCXBDSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634847291	383378873	/nfs/dbraw/zinc/37/88/73/383378873.db2.gz	DNHHGZRUXDVAPJ-CQSZACIVSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=CCC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCC1	ZINC000450512939	383444030	/nfs/dbraw/zinc/44/40/30/383444030.db2.gz	VPYCMNYNUMQACR-UHFFFAOYSA-N	-1	0	273.332	2.747	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@H](C)c2cnc(C)cn2)s1	ZINC000488252861	383510134	/nfs/dbraw/zinc/51/01/34/383510134.db2.gz	RZXIUPAFGTZQCQ-SECBINFHSA-N	-1	0	293.421	2.510	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncccc2C)n1	ZINC000429352908	383521142	/nfs/dbraw/zinc/52/11/42/383521142.db2.gz	XZIHELRHLDDXIK-SNVBAGLBSA-N	-1	0	257.318	2.645	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000335110906	296349567	/nfs/dbraw/zinc/34/95/67/296349567.db2.gz	PSKHLGOTCXUUJR-DGCLKSJQSA-N	-1	0	288.395	2.696	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC000263531576	383676724	/nfs/dbraw/zinc/67/67/24/383676724.db2.gz	MPGXQPFEMFAUIZ-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000432917324	383751394	/nfs/dbraw/zinc/75/13/94/383751394.db2.gz	KOHCFLGCOWJQRP-UHFFFAOYSA-N	-1	0	296.440	2.981	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000436642623	383862073	/nfs/dbraw/zinc/86/20/73/383862073.db2.gz	BTTNPLQQIQOQKA-NSHDSACASA-N	-1	0	291.347	2.905	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436960861	383897319	/nfs/dbraw/zinc/89/73/19/383897319.db2.gz	RVENJXBEMZDRJS-JTQLQIEISA-N	-1	0	278.308	2.775	20	30		CFEDRM
N#CC1(F)CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1	ZINC000436840176	383898341	/nfs/dbraw/zinc/89/83/41/383898341.db2.gz	OCUJQONZDYXLPE-UHFFFAOYSA-N	-1	0	282.702	2.513	20	30		CFEDRM
C=CCSCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000573806113	383993663	/nfs/dbraw/zinc/99/36/63/383993663.db2.gz	ZABOITAOGDJFJZ-UHFFFAOYSA-N	-1	0	296.348	2.553	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-]	ZINC000573541967	383946793	/nfs/dbraw/zinc/94/67/93/383946793.db2.gz	HHQAGBRERRUZBK-UHFFFAOYSA-N	-1	0	297.376	2.710	20	30		CFEDRM
C=C1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000277868522	384430012	/nfs/dbraw/zinc/43/00/12/384430012.db2.gz	BMYUMBLUUQHZCQ-UHFFFAOYSA-N	-1	0	269.703	2.977	20	30		CFEDRM
C=CCCOCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000278432903	384570299	/nfs/dbraw/zinc/57/02/99/384570299.db2.gz	DIAPYZSMJWLEDS-UHFFFAOYSA-N	-1	0	287.718	2.507	20	30		CFEDRM
CC(C)[C@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271311496	385379131	/nfs/dbraw/zinc/37/91/31/385379131.db2.gz	LYOUQPOKLSMMOK-VHDKWSFPSA-N	-1	0	292.335	2.923	20	30		CFEDRM
C[C@H]1C[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271260077	385379269	/nfs/dbraw/zinc/37/92/69/385379269.db2.gz	IIVZOXZQLCRWEY-BVLLQVSASA-N	-1	0	278.308	2.534	20	30		CFEDRM
CO[C@@H]1[C@H](C)[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000271779652	385391709	/nfs/dbraw/zinc/39/17/09/385391709.db2.gz	GQWSYKQBXGZSFH-UCCLUECRSA-N	-1	0	292.335	2.779	20	30		CFEDRM
COc1nc(C)ccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000347227621	533181150	/nfs/dbraw/zinc/18/11/50/533181150.db2.gz	MKGBAVBBNWAJDN-NSHDSACASA-N	-1	0	287.344	2.654	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1	ZINC000262021268	533521079	/nfs/dbraw/zinc/52/10/79/533521079.db2.gz	GFJKDNMYYKHWML-KGLIPLIRSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000262069705	131188372	/nfs/dbraw/zinc/18/83/72/131188372.db2.gz	FFOKHTKUAGMFRS-GHMZBOCLSA-N	-1	0	293.388	2.946	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-]	ZINC000262100669	131191343	/nfs/dbraw/zinc/19/13/43/131191343.db2.gz	MBERUMRLMQIYGV-ZIAGYGMSSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000263303164	131289720	/nfs/dbraw/zinc/28/97/20/131289720.db2.gz	VBOCAQZPEYOMBG-OCCSQVGLSA-N	-1	0	275.348	2.573	20	30		CFEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3nccs3)nc21	ZINC000683689725	542709294	/nfs/dbraw/zinc/70/92/94/542709294.db2.gz	KHMGJASKZPTAET-VIFPVBQESA-N	-1	0	282.328	2.818	20	30		CFEDRM
Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1cc(C)nc(C)n1	ZINC000329511647	393540516	/nfs/dbraw/zinc/54/05/16/393540516.db2.gz	KRMAHBRZFUGSIO-LBPRGKRZSA-N	-1	0	296.330	2.757	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)c1n[nH]c(C)c1[O-]	ZINC000684333291	542789280	/nfs/dbraw/zinc/78/92/80/542789280.db2.gz	UJGYFIYFYDJTGL-UHFFFAOYSA-N	-1	0	285.347	2.642	20	30		CFEDRM
CCC[C@@H]1CCC[C@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544463	393629347	/nfs/dbraw/zinc/62/93/47/393629347.db2.gz	WDMKVXHXPSTWNL-TZMCWYRMSA-N	-1	0	288.395	2.912	20	30		CFEDRM
N#C[C@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1	ZINC000113710762	393898074	/nfs/dbraw/zinc/89/80/74/393898074.db2.gz	OBNNEOGYNAKNQM-LBPRGKRZSA-N	-1	0	285.234	2.619	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(NCCC(=O)[O-])c2c1	ZINC000416390261	393914023	/nfs/dbraw/zinc/91/40/23/393914023.db2.gz	NZZGMVYCTBNRHM-UHFFFAOYSA-N	-1	0	283.331	2.538	20	30		CFEDRM
CCC(C)(C)CNC(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000430095497	393958581	/nfs/dbraw/zinc/95/85/81/393958581.db2.gz	BMAYAOMOICIOLL-UHFFFAOYSA-N	-1	0	293.392	2.547	20	30		CFEDRM
Cc1nn(C(C)C)cc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000280951160	394074840	/nfs/dbraw/zinc/07/48/40/394074840.db2.gz	JDWSKPNJTOVVOZ-AATRIKPKSA-N	-1	0	296.330	2.908	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000281871289	394086643	/nfs/dbraw/zinc/08/66/43/394086643.db2.gz	ZMJDVOIZTXUJOL-ZETCQYMHSA-N	-1	0	273.254	2.894	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000685019787	542888531	/nfs/dbraw/zinc/88/85/31/542888531.db2.gz	XLBNCGBHQOQWBR-OLZOCXBDSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000685019423	542888547	/nfs/dbraw/zinc/88/85/47/542888547.db2.gz	UNPXXSOBDUPSHI-QWRGUYRKSA-N	-1	0	281.377	2.982	20	30		CFEDRM
CCC#C[C@@H](C)Sc1n[n-]c(=NCCC)s1	ZINC000381349342	543087131	/nfs/dbraw/zinc/08/71/31/543087131.db2.gz	BHJSFGSXYDWMOK-SECBINFHSA-N	-1	0	255.412	2.676	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(F)c1	ZINC000356841926	155389721	/nfs/dbraw/zinc/38/97/21/155389721.db2.gz	XIMIVNIFABMNCI-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(C#N)c1	ZINC000019272090	170767950	/nfs/dbraw/zinc/76/79/50/170767950.db2.gz	BPWYLKAJBAIRJN-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000652070124	413811683	/nfs/dbraw/zinc/81/16/83/413811683.db2.gz	JAIAVLZLTFKONJ-GWCFXTLKSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCOc1ccc(C(=O)NCCCCCC(=O)[O-])cc1	ZINC000037430223	173200800	/nfs/dbraw/zinc/20/08/00/173200800.db2.gz	MKTHKJZDUHQDAA-UHFFFAOYSA-N	-1	0	291.347	2.626	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665309014	414274808	/nfs/dbraw/zinc/27/48/08/414274808.db2.gz	KAQOBRYUQBKWEZ-DGCLKSJQSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCC1(CNC(=O)C(C)(C)C(=O)[O-])CCCC1	ZINC000659165384	414460387	/nfs/dbraw/zinc/46/03/87/414460387.db2.gz	BPVIMFVGZWMBIS-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000659169513	414461535	/nfs/dbraw/zinc/46/15/35/414461535.db2.gz	DLXNVKNJIKRTDE-LLVKDONJSA-N	-1	0	291.322	2.952	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1	ZINC000659170185	414462042	/nfs/dbraw/zinc/46/20/42/414462042.db2.gz	RAZGIIGHIPMZKU-GFCCVEGCSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1	ZINC000659170169	414462077	/nfs/dbraw/zinc/46/20/77/414462077.db2.gz	QNQHYUHJMFGCJK-MCIONIFRSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1	ZINC000659169503	414462136	/nfs/dbraw/zinc/46/21/36/414462136.db2.gz	DADKLGWUCHLGEC-CYBMUJFWSA-N	-1	0	291.391	2.836	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000659183002	414463377	/nfs/dbraw/zinc/46/33/77/414463377.db2.gz	OTFSPPRSGMNALY-NEPJUHHUSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-]	ZINC000659236065	414476312	/nfs/dbraw/zinc/47/63/12/414476312.db2.gz	FCPJUDYQISIASF-DOMZBBRYSA-N	-1	0	265.353	2.514	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@H](C(=O)[O-])C(C)C)c1	ZINC000656092699	414507424	/nfs/dbraw/zinc/50/74/24/414507424.db2.gz	OTDQCFRQHGCICZ-ZDUSSCGKSA-N	-1	0	274.320	2.530	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@@H](C(=O)[O-])C(C)C)c1	ZINC000656092698	414507888	/nfs/dbraw/zinc/50/78/88/414507888.db2.gz	OTDQCFRQHGCICZ-CYBMUJFWSA-N	-1	0	274.320	2.530	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])CCCC1	ZINC000656487409	414590271	/nfs/dbraw/zinc/59/02/71/414590271.db2.gz	UCEVAANRIDPBQZ-CHWSQXEVSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000656583325	414610842	/nfs/dbraw/zinc/61/08/42/414610842.db2.gz	ZNLXJYVEZHOCTF-LALPHHSUSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1	ZINC000663125983	414653938	/nfs/dbraw/zinc/65/39/38/414653938.db2.gz	AVBVHUCFQVSFKF-OCCSQVGLSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000663125859	414654230	/nfs/dbraw/zinc/65/42/30/414654230.db2.gz	TVFNNSZDXRIZSR-QWHCGFSZSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000040547170	174325461	/nfs/dbraw/zinc/32/54/61/174325461.db2.gz	KLYWETOTBWFYSM-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)NCC1(C(=O)[O-])CC1	ZINC000663354098	414679317	/nfs/dbraw/zinc/67/93/17/414679317.db2.gz	KQYCGLHNOVCDKK-UHFFFAOYSA-N	-1	0	288.347	2.792	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(C#N)c(Cl)c2)C1	ZINC000062926473	175677970	/nfs/dbraw/zinc/67/79/70/175677970.db2.gz	ULBAHGUGYZPRDY-ZDUSSCGKSA-N	-1	0	264.712	2.513	20	30		CFEDRM
CCc1cc(=O)[nH]c(SCCCC(C)(C)C#N)n1	ZINC000188113140	260071929	/nfs/dbraw/zinc/07/19/29/260071929.db2.gz	BXCLOALPJZHWOJ-UHFFFAOYSA-N	-1	0	265.382	2.754	20	30		CFEDRM
CC(=O)c1cc(Cl)cc(CN(C)CCC#N)c1O	ZINC000050132684	260207005	/nfs/dbraw/zinc/20/70/05/260207005.db2.gz	UJSMNZKNPHQZLT-UHFFFAOYSA-N	-1	0	266.728	2.594	20	30		CFEDRM
N#C[C@H](NC(=O)c1cccc(O)c1)C1CCCCC1	ZINC000040360494	260222686	/nfs/dbraw/zinc/22/26/86/260222686.db2.gz	IJZUMGMLPJNRBR-AWEZNQCLSA-N	-1	0	258.321	2.594	20	30		CFEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1	ZINC000089490255	260237122	/nfs/dbraw/zinc/23/71/22/260237122.db2.gz	JSBMWAZYFOPEDX-UHFFFAOYSA-N	-1	0	299.396	2.690	20	30		CFEDRM
CC1(C)[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H]2CCO[C@@H]21	ZINC000078052648	260299126	/nfs/dbraw/zinc/29/91/26/260299126.db2.gz	VMMWWPYKHJYCLS-VHFZNHTKSA-N	-1	0	290.319	2.533	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C(C)C)c1	ZINC000046929183	260653643	/nfs/dbraw/zinc/65/36/43/260653643.db2.gz	JYSFQQMPQHFTID-UHFFFAOYSA-N	-1	0	255.339	2.605	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCO[C@@H](C3CC3)C2)c1	ZINC000154226415	261089170	/nfs/dbraw/zinc/08/91/70/261089170.db2.gz	MIPHKXQJBXYBFN-VHDKWSFPSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CC(C)(CC(=O)N[C@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000178529271	261397308	/nfs/dbraw/zinc/39/73/08/261397308.db2.gz	XTSQCVOMHUQYBC-CYBMUJFWSA-N	-1	0	288.347	2.649	20	30		CFEDRM
CC(C)(CC(=O)N[C@@H](CCC#N)c1ccccc1)C(=O)[O-]	ZINC000178529255	261397828	/nfs/dbraw/zinc/39/78/28/261397828.db2.gz	XTSQCVOMHUQYBC-ZDUSSCGKSA-N	-1	0	288.347	2.649	20	30		CFEDRM
COC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])OC	ZINC000272637218	263007868	/nfs/dbraw/zinc/00/78/68/263007868.db2.gz	MXGHWWXWBDHKCI-XSFFOXFNSA-N	-1	0	292.162	2.779	20	30		CFEDRM
CCN(CCC#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000274452747	263024256	/nfs/dbraw/zinc/02/42/56/263024256.db2.gz	IZEWKOZFUISXEH-UHFFFAOYSA-N	-1	0	270.691	2.560	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2c([O-])cccc2F)[C@H]1C#N	ZINC000277616191	263042320	/nfs/dbraw/zinc/04/23/20/263042320.db2.gz	VTAGEXBNJGHTTC-LBPRGKRZSA-N	-1	0	276.311	2.686	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000286844100	263099727	/nfs/dbraw/zinc/09/97/27/263099727.db2.gz	WIGBKUZMCBUCTM-CYBMUJFWSA-N	-1	0	275.333	2.995	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCc2ccc(F)cc2)CC12CCCC2	ZINC000294964099	263170263	/nfs/dbraw/zinc/17/02/63/263170263.db2.gz	NIBKZUQPQDISRC-MRXNPFEDSA-N	-1	0	288.322	2.848	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ncc(C3CC3)o2)s1	ZINC000340578256	263207936	/nfs/dbraw/zinc/20/79/36/263207936.db2.gz	YIQDCZRSTTXYSR-UHFFFAOYSA-N	-1	0	294.405	2.716	20	30		CFEDRM
C=CCOc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1	ZINC000341211583	263326979	/nfs/dbraw/zinc/32/69/79/263326979.db2.gz	GLTARXJAMPVYHK-UHFFFAOYSA-N	-1	0	295.342	2.593	20	30		CFEDRM
CCc1noc(C)c1NC(=O)c1ncc(C)cc1[O-]	ZINC000331211258	264162638	/nfs/dbraw/zinc/16/26/38/264162638.db2.gz	RPAGLWGMXMJDHZ-UHFFFAOYSA-N	-1	0	261.281	2.591	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000192913165	264596167	/nfs/dbraw/zinc/59/61/67/264596167.db2.gz	FUUGHIFZRFZQKX-QWHCGFSZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000192944978	264599724	/nfs/dbraw/zinc/59/97/24/264599724.db2.gz	AUTMBLFNHTZMFE-AWEZNQCLSA-N	-1	0	285.343	2.970	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncc(C#N)cc2F)c1	ZINC001243176753	782037832	/nfs/dbraw/zinc/03/78/32/782037832.db2.gz	CIHRMTNTAFMSRI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc3cc(C#N)ccc3n2)C1	ZINC000518959735	265249762	/nfs/dbraw/zinc/24/97/62/265249762.db2.gz	JDJFRZSQHDDBQK-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CCC(CC)c1n[n-]c(=NCc2nc(C#N)cs2)s1	ZINC000357714727	266006413	/nfs/dbraw/zinc/00/64/13/266006413.db2.gz	WKKXJQNRHCEBBP-UHFFFAOYSA-N	-1	0	293.421	2.804	20	30		CFEDRM
Cn1nccc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000356713799	266163924	/nfs/dbraw/zinc/16/39/24/266163924.db2.gz	RPDVTAUHKYFCDC-SECBINFHSA-N	-1	0	282.328	2.520	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N=c1nc(C)[n-]s1	ZINC000362816625	267049948	/nfs/dbraw/zinc/04/99/48/267049948.db2.gz	CZIKQQUYIARVEZ-UHFFFAOYSA-N	-1	0	291.401	2.799	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C#N)c3ccccc3n2)C1	ZINC000399121350	267073233	/nfs/dbraw/zinc/07/32/33/267073233.db2.gz	ZMATVFVJYMXIQG-DGCLKSJQSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CC(C)CC(CC(C)C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000449805874	278728628	/nfs/dbraw/zinc/72/86/28/278728628.db2.gz	XIOZXYHKNAMRPB-UHFFFAOYSA-N	-1	0	287.367	2.800	20	30		CFEDRM
N#C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1Cl	ZINC000172029134	335089773	/nfs/dbraw/zinc/08/97/73/335089773.db2.gz	WSOZZPACOCACPU-SECBINFHSA-N	-1	0	276.645	2.973	20	30		CFEDRM
COc1cc(-c2ccc(C)c(C(=O)[O-])c2)ncc1C#N	ZINC001243193149	782053471	/nfs/dbraw/zinc/05/34/71/782053471.db2.gz	LOXVKGZWBKTIPL-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2cnc(C#N)c(F)c2)cc1C(=O)[O-]	ZINC001243194009	782054880	/nfs/dbraw/zinc/05/48/80/782054880.db2.gz	GNPILRXSSHEDPD-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2cc(C)c(C#N)cn2)cc1C(=O)[O-]	ZINC001243194468	782055643	/nfs/dbraw/zinc/05/56/43/782055643.db2.gz	AGAGVSMTXQNPQV-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C)c(C(=O)[O-])c2)n1	ZINC001243198731	782059610	/nfs/dbraw/zinc/05/96/10/782059610.db2.gz	JYSFIIMHBYGYGR-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2C)c(/C=N/O)c1	ZINC001243200651	782061024	/nfs/dbraw/zinc/06/10/24/782061024.db2.gz	MYTOJHPWWXRDBH-CAOOACKPSA-N	-1	0	270.288	2.872	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1nccc(C#N)c1F	ZINC001243201765	782062256	/nfs/dbraw/zinc/06/22/56/782062256.db2.gz	FPHYLGHVPASASC-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C#N)c(Cl)c2)C1	ZINC000263130105	300407655	/nfs/dbraw/zinc/40/76/55/300407655.db2.gz	FWHAPYPWGPBSAY-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2c(Cl)cccc2C#N)C1	ZINC000263265994	300474098	/nfs/dbraw/zinc/47/40/98/300474098.db2.gz	VKEBHLUZICRIEW-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(N(C)C[C@@H](C)C(=O)[O-])c2c1	ZINC000263550512	301214046	/nfs/dbraw/zinc/21/40/46/301214046.db2.gz	KLRBITXQBJQLDV-GFCCVEGCSA-N	-1	0	297.358	2.880	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2c([O-])cccc2F)CC1	ZINC000335385367	335092253	/nfs/dbraw/zinc/09/22/53/335092253.db2.gz	WJZYHEOKRLXYQK-UHFFFAOYSA-N	-1	0	276.311	2.687	20	30		CFEDRM
N#Cc1nnc2ccccc2c1NC1CCC(C(=O)[O-])CC1	ZINC000263569524	303218986	/nfs/dbraw/zinc/21/89/86/303218986.db2.gz	ZLFVJTFNJKUFPV-UHFFFAOYSA-N	-1	0	296.330	2.557	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])s2)nc(C2CC2)n1	ZINC001240846476	782079527	/nfs/dbraw/zinc/07/95/27/782079527.db2.gz	BZXXYFNCUVZHHX-UHFFFAOYSA-N	-1	0	271.301	2.652	20	30		CFEDRM
C[C@@H](C#N)CSc1ccccc1NC(=O)CCC(=O)[O-]	ZINC000179079161	327798665	/nfs/dbraw/zinc/79/86/65/327798665.db2.gz	OZVPSKPYEVADEZ-JTQLQIEISA-N	-1	0	292.360	2.742	20	30		CFEDRM
C=CCCCCCNC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-]	ZINC000563351332	328057037	/nfs/dbraw/zinc/05/70/37/328057037.db2.gz	YYVMODKMLVMWEQ-BFHYXJOUSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCOCCCN(CC)c1cccc(C(=O)[O-])c1	ZINC000563453713	328067586	/nfs/dbraw/zinc/06/75/86/328067586.db2.gz	NADNKEVLMYVVBH-UHFFFAOYSA-N	-1	0	263.337	2.804	20	30		CFEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000291932386	328267413	/nfs/dbraw/zinc/26/74/13/328267413.db2.gz	CEKFTTKAZMLZGB-AWEZNQCLSA-N	-1	0	287.344	2.539	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F	ZINC000531938565	328322485	/nfs/dbraw/zinc/32/24/85/328322485.db2.gz	RPKXBHWKQZBDKS-NSHDSACASA-N	-1	0	293.310	2.786	20	30		CFEDRM
CC(=Cc1cc(C)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000578080650	324814877	/nfs/dbraw/zinc/81/48/77/324814877.db2.gz	PGKRXNCNNSXULM-JXMROGBWSA-N	-1	0	283.306	2.958	20	30		CFEDRM
CC(=Cc1ccc(F)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000580272165	325020241	/nfs/dbraw/zinc/02/02/41/325020241.db2.gz	UKDAJKWAMZPPPD-JXMROGBWSA-N	-1	0	283.306	2.958	20	30		CFEDRM
C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000580430782	325034411	/nfs/dbraw/zinc/03/44/11/325034411.db2.gz	WOQOOAKNCREDRT-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C(=O)[O-]	ZINC000582845282	325238639	/nfs/dbraw/zinc/23/86/39/325238639.db2.gz	OBFSPJNLASKEAI-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCCCCCNC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000570341432	327583879	/nfs/dbraw/zinc/58/38/79/327583879.db2.gz	UCDFRLICVCZEFY-ZDUSSCGKSA-N	-1	0	284.400	2.874	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000171530539	329077229	/nfs/dbraw/zinc/07/72/29/329077229.db2.gz	YCYFFVUTPWAKKE-VIFPVBQESA-N	-1	0	267.244	2.614	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190893627	329401742	/nfs/dbraw/zinc/40/17/42/329401742.db2.gz	ZSFGHVVZABEYTP-NSHDSACASA-N	-1	0	292.298	2.725	20	30		CFEDRM
CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1	ZINC000236574383	329689199	/nfs/dbraw/zinc/68/91/99/329689199.db2.gz	BNPNSEWXKOGCLK-UHFFFAOYSA-N	-1	0	279.295	2.743	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000262788962	330031589	/nfs/dbraw/zinc/03/15/89/330031589.db2.gz	BQSVLGPYBAWUMW-DGCLKSJQSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CC)c1ccc(F)cc1)C(=O)[O-]	ZINC000262803738	330032728	/nfs/dbraw/zinc/03/27/28/330032728.db2.gz	CVPCKABRBATAOO-KBPBESRZSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)[O-]	ZINC000262853827	330035395	/nfs/dbraw/zinc/03/53/95/330035395.db2.gz	IBOGBONSVOYPBB-LBPRGKRZSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000262927376	330037112	/nfs/dbraw/zinc/03/71/12/330037112.db2.gz	OOJQDMSWFHMWOM-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)Cc1ccccc1)C(=O)[O-]	ZINC000263020825	330038887	/nfs/dbraw/zinc/03/88/87/330038887.db2.gz	YBYSCNQOPKSMRT-AWEZNQCLSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000263034870	330039917	/nfs/dbraw/zinc/03/99/17/330039917.db2.gz	CLDQLNNARGGJKR-RYUDHWBXSA-N	-1	0	291.347	2.794	20	30		CFEDRM
C=CCC1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCC1	ZINC000263163965	330046776	/nfs/dbraw/zinc/04/67/76/330046776.db2.gz	PEGZDWQTQSLTTK-UHFFFAOYSA-N	-1	0	287.359	2.790	20	30		CFEDRM
C=CCC1(C(=O)NCC(CC)(CC)C(=O)[O-])CCC1	ZINC000263534858	330059157	/nfs/dbraw/zinc/05/91/57/330059157.db2.gz	OCXURGDMXZIRAN-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCN(Cc1ccc(C(=O)[O-])cc1)CC(F)(F)F	ZINC000263572689	330059725	/nfs/dbraw/zinc/05/97/25/330059725.db2.gz	LGQWMGVSUDBUBB-UHFFFAOYSA-N	-1	0	273.254	2.935	20	30		CFEDRM
C=CCCC[C@H](C)NS(=O)(=O)c1cnccc1OCC	ZINC000451363250	331025925	/nfs/dbraw/zinc/02/59/25/331025925.db2.gz	AEOICCWEGCZWIS-LBPRGKRZSA-N	-1	0	298.408	2.503	20	30		CFEDRM
CC#CCSc1n[n-]c(=Nc2ccccc2)s1	ZINC000463042828	331338413	/nfs/dbraw/zinc/33/84/13/331338413.db2.gz	LPUBSYJTKLBZHH-UHFFFAOYSA-N	-1	0	261.375	2.819	20	30		CFEDRM
CC#CCCCC(=O)N=c1nc(-c2ccccc2)[n-]s1	ZINC000464552810	331362442	/nfs/dbraw/zinc/36/24/42/331362442.db2.gz	BQSAZBCSBXZBIL-UHFFFAOYSA-N	-1	0	285.372	2.759	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccnn2C(F)F)n1	ZINC000522014527	333230158	/nfs/dbraw/zinc/23/01/58/333230158.db2.gz	NWWAGQHLKYWGPW-ZETCQYMHSA-N	-1	0	282.275	2.533	20	30		CFEDRM
N#CC(=C([O-])c1scnc1C1CC1)c1ccccn1	ZINC000089966723	334354510	/nfs/dbraw/zinc/35/45/10/334354510.db2.gz	XOLFJKYKULBIPX-SNVBAGLBSA-N	-1	0	269.329	2.906	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000553533220	334390356	/nfs/dbraw/zinc/39/03/56/334390356.db2.gz	BPICWRFCKSOVBZ-VIFPVBQESA-N	-1	0	280.397	2.704	20	30		CFEDRM
N#CCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000555526627	334480520	/nfs/dbraw/zinc/48/05/20/334480520.db2.gz	GEQXDQXFJUHWFQ-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
CCCn1nccc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000565669551	334586974	/nfs/dbraw/zinc/58/69/74/334586974.db2.gz	FZGLYLNTSQRCSN-NSHDSACASA-N	-1	0	294.314	2.924	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000263507359	334605015	/nfs/dbraw/zinc/60/50/15/334605015.db2.gz	BLWKALZKUSXVEM-PNESKVBLSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F	ZINC000573056338	334903844	/nfs/dbraw/zinc/90/38/44/334903844.db2.gz	XZYRZJKGAJSRHD-LLVKDONJSA-N	-1	0	293.310	2.786	20	30		CFEDRM
C=CCCCNC(=O)N=c1[n-]nc(C(CC)CC)s1	ZINC000577464739	335355029	/nfs/dbraw/zinc/35/50/29/335355029.db2.gz	PYHKDDVZLJPXGB-UHFFFAOYSA-N	-1	0	282.413	2.951	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000578641871	335658053	/nfs/dbraw/zinc/65/80/53/335658053.db2.gz	NILYPELYBLWHNV-UHFFFAOYSA-N	-1	0	278.308	2.777	20	30		CFEDRM
C=CCN(C)Cc1ccc(C(=O)[O-])cc1Br	ZINC000383752881	336117562	/nfs/dbraw/zinc/11/75/62/336117562.db2.gz	QFRJBTZRYFNBOJ-UHFFFAOYSA-N	-1	0	284.153	2.765	20	30		CFEDRM
C=CC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000581729480	336139167	/nfs/dbraw/zinc/13/91/67/336139167.db2.gz	ZAEJGGJQMHHXDY-UHFFFAOYSA-N	-1	0	278.308	2.846	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000581945137	336174271	/nfs/dbraw/zinc/17/42/71/336174271.db2.gz	USLDOJGIIGEXDV-ZETCQYMHSA-N	-1	0	284.699	2.648	20	30		CFEDRM
C=C(C)CCNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1	ZINC000386727289	336177560	/nfs/dbraw/zinc/17/75/60/336177560.db2.gz	AKGFCOBIGZYVBY-INIZCTEOSA-N	-1	0	275.348	2.501	20	30		CFEDRM
N#Cc1ccc(-c2cc(Cl)cc(C(=O)[O-])c2)cn1	ZINC001243325480	782138845	/nfs/dbraw/zinc/13/88/45/782138845.db2.gz	PWVDUKFXNRIFSN-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#Cc1cnccc1-c1cc(Cl)cc(C(=O)[O-])c1	ZINC001243324393	782139125	/nfs/dbraw/zinc/13/91/25/782139125.db2.gz	FIULIMNKZDCBKH-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc([O-])c(F)c1F	ZINC001243341937	782147339	/nfs/dbraw/zinc/14/73/39/782147339.db2.gz	WGLJEMAFBHFYSG-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
CC(C)C[C@@H](CNc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000232605694	519214277	/nfs/dbraw/zinc/21/42/77/519214277.db2.gz	UAHMSAKQWBIGMG-JTQLQIEISA-N	-1	0	281.743	2.765	20	30		CFEDRM
CCCC[C@@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000337089512	520988589	/nfs/dbraw/zinc/98/85/89/520988589.db2.gz	KANODIIKGQHSRJ-LLVKDONJSA-N	-1	0	262.357	2.522	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000238008172	534567953	/nfs/dbraw/zinc/56/79/53/534567953.db2.gz	MKSVLGDIKYOWQL-CQSZACIVSA-N	-1	0	273.332	2.697	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@](C)(CC)C(=O)[O-])c1ccccc1	ZINC000263232401	534674759	/nfs/dbraw/zinc/67/47/59/534674759.db2.gz	CMXTTYAECNOPEF-WBMJQRKESA-N	-1	0	275.348	2.716	20	30		CFEDRM
CCc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)ccc1C	ZINC000340946552	523823426	/nfs/dbraw/zinc/82/34/26/523823426.db2.gz	FNFVLOUHKRAUQR-UHFFFAOYSA-N	-1	0	290.344	2.823	20	30		CFEDRM
Cc1cc(C)c(C#N)c(N2CCC(CCC(=O)[O-])CC2)n1	ZINC000050924140	524213036	/nfs/dbraw/zinc/21/30/36/524213036.db2.gz	OYOZDLFWJFCDOB-UHFFFAOYSA-N	-1	0	287.363	2.651	20	30		CFEDRM
N#Cc1cc(NCCCC(=O)[O-])ccc1C(F)(F)F	ZINC000163841225	526570178	/nfs/dbraw/zinc/57/01/78/526570178.db2.gz	AGKUFDASUPUNMR-UHFFFAOYSA-N	-1	0	272.226	2.854	20	30		CFEDRM
CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354472669	526878981	/nfs/dbraw/zinc/87/89/81/526878981.db2.gz	UXFLOOMELQFASU-SECBINFHSA-N	-1	0	286.360	2.721	20	30		CFEDRM
CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccn1	ZINC000354464915	529188866	/nfs/dbraw/zinc/18/88/66/529188866.db2.gz	LENFRXGNJHKVIX-WCQYABFASA-N	-1	0	296.330	2.539	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)c1	ZINC000935106367	649876124	/nfs/dbraw/zinc/87/61/24/649876124.db2.gz	DCJGHOYIEZMFTO-IUODEOHRSA-N	-1	0	286.331	2.550	20	30		CFEDRM
Cc1cccc(CC(N=Nc2nnc(C)c(=O)[n-]2)C2CC2)c1	ZINC000736428444	574051417	/nfs/dbraw/zinc/05/14/17/574051417.db2.gz	VBBKIAKSQWIGHH-UHFFFAOYSA-N	-1	0	297.362	2.615	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCC1	ZINC000740309945	574055974	/nfs/dbraw/zinc/05/59/74/574055974.db2.gz	PUVLVIJGDREWNR-UHFFFAOYSA-N	-1	0	299.330	2.750	20	30		CFEDRM
C=C(Cl)CNC(=O)c1cccc(Br)c1[O-]	ZINC000736688029	574066135	/nfs/dbraw/zinc/06/61/35/574066135.db2.gz	GBKFBTBFWKYSPY-UHFFFAOYSA-N	-1	0	290.544	2.637	20	30		CFEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000736772728	574071706	/nfs/dbraw/zinc/07/17/06/574071706.db2.gz	HYBQXLIDGSUFGT-BZNIZROVSA-N	-1	0	286.331	2.587	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(O)cc(O)c1	ZINC000753690252	574072771	/nfs/dbraw/zinc/07/27/71/574072771.db2.gz	DSXVZEXAVIHOLP-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
CCO[C@@H]1CC(=NNc2cnnc([O-])c2Cl)C12CCC2	ZINC000741164154	574086043	/nfs/dbraw/zinc/08/60/43/574086043.db2.gz	ZMABWLZUUFPLHO-SNVBAGLBSA-N	-1	0	296.758	2.583	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NC[C@H]1CCCN1C(=O)[O-]	ZINC000738493330	574095769	/nfs/dbraw/zinc/09/57/69/574095769.db2.gz	MKEOKYSVRWMAEY-CYBMUJFWSA-N	-1	0	297.399	2.517	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1)C1CCOCC1	ZINC000745193025	574105277	/nfs/dbraw/zinc/10/52/77/574105277.db2.gz	ATVRTVUOEHXLBL-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1)C1CCOCC1	ZINC000745193558	574106164	/nfs/dbraw/zinc/10/61/64/574106164.db2.gz	YVXYIGRJRYWGOT-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
CCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)s1	ZINC000731155668	574111447	/nfs/dbraw/zinc/11/14/47/574111447.db2.gz	OLSLELRINNDOJQ-LMVHVUTASA-N	-1	0	290.340	2.539	20	30		CFEDRM
CCOc1ccc(/C=N\C2CCC(C(=O)[O-])CC2)c(O)c1	ZINC000737200764	574118291	/nfs/dbraw/zinc/11/82/91/574118291.db2.gz	UYPLVFWUNXSUMV-YVLHZVERSA-N	-1	0	291.347	2.853	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cncc(F)c2)cc1	ZINC000737445642	574141877	/nfs/dbraw/zinc/14/18/77/574141877.db2.gz	COBHTLBLRZASEE-UTCJRWHESA-N	-1	0	271.247	2.815	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000737527591	574146275	/nfs/dbraw/zinc/14/62/75/574146275.db2.gz	KTVSFAWHWUPEOK-CYBMUJFWSA-N	-1	0	282.384	2.581	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@H]2c2ccccc2)[n-]c1=O	ZINC000732528253	574159750	/nfs/dbraw/zinc/15/97/50/574159750.db2.gz	UPQXMRUQGZJRTH-LBPRGKRZSA-N	-1	0	283.335	2.621	20	30		CFEDRM
CCc1nc(C=NNc2ccc(C(=O)[O-])cc2)cs1	ZINC000755455604	574163277	/nfs/dbraw/zinc/16/32/77/574163277.db2.gz	PAEDBJTVSYPFOX-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
COc1ccccc1C=NOCc1cc(C(=O)[O-])co1	ZINC000738123311	574164196	/nfs/dbraw/zinc/16/41/96/574164196.db2.gz	DNSXPAMPCOGBEJ-UHFFFAOYSA-N	-1	0	275.260	2.537	20	30		CFEDRM
N#Cc1ccc(Nc2cccc(C(=O)OCC(=O)[O-])c2)cc1	ZINC000738431596	574169199	/nfs/dbraw/zinc/16/91/99/574169199.db2.gz	YCGGJCGAVAPRIA-UHFFFAOYSA-N	-1	0	296.282	2.543	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)nc1	ZINC000738466428	574170102	/nfs/dbraw/zinc/17/01/02/574170102.db2.gz	AHLUFDZGYDNJEA-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
CC(C)(C)CC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000755618087	574171999	/nfs/dbraw/zinc/17/19/99/574171999.db2.gz	UWLPICRMLFVMHG-UHFFFAOYSA-N	-1	0	275.377	2.955	20	30		CFEDRM
N#Cc1ccc(NN=Cc2cc(C(=O)[O-])cs2)cc1	ZINC000755650527	574175346	/nfs/dbraw/zinc/17/53/46/574175346.db2.gz	AUSQEPMOJQBGCQ-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
Cc1ccc(OC(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000738639520	574177723	/nfs/dbraw/zinc/17/77/23/574177723.db2.gz	RXDRAUNIGSVCLS-UHFFFAOYSA-N	-1	0	281.267	2.784	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCCCOc2ccccc2)cc1	ZINC000729149611	574179705	/nfs/dbraw/zinc/17/97/05/574179705.db2.gz	MIVFZVDGDMYUTG-UHFFFAOYSA-N	-1	0	298.342	2.777	20	30		CFEDRM
Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738693617	574180511	/nfs/dbraw/zinc/18/05/11/574180511.db2.gz	TYQLGHRAWNLBRQ-OAHLLOKOSA-N	-1	0	295.294	2.849	20	30		CFEDRM
Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H](C)CC#N)c12	ZINC000738866532	574188560	/nfs/dbraw/zinc/18/85/60/574188560.db2.gz	SIZATIMDZHHMSZ-ZCFIWIBFSA-N	-1	0	290.348	2.720	20	30		CFEDRM
N#CCC[C@H](C#N)CNc1cccc(NC(=O)[O-])c1	ZINC000739069368	574196728	/nfs/dbraw/zinc/19/67/28/574196728.db2.gz	PQXBMEKDTDEXBG-SNVBAGLBSA-N	-1	0	258.281	2.632	20	30		CFEDRM
N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1	ZINC000739104599	574198962	/nfs/dbraw/zinc/19/89/62/574198962.db2.gz	HGCMRXNPGNKVAQ-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)C2CCCCC2)C(=O)[O-])cc1	ZINC000739112009	574199270	/nfs/dbraw/zinc/19/92/70/574199270.db2.gz	XPOPQLHGVBRQSA-AWEZNQCLSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)c2ccccc2F)C(=O)[O-])cc1	ZINC000739116005	574199289	/nfs/dbraw/zinc/19/92/89/574199289.db2.gz	XBULBVXMVINQJR-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1	ZINC000739128397	574199598	/nfs/dbraw/zinc/19/95/98/574199598.db2.gz	BZFBBLZYNJWYKE-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1ccsc1NC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739142512	574199630	/nfs/dbraw/zinc/19/96/30/574199630.db2.gz	OKKLZZIYXMIUDC-UHFFFAOYSA-N	-1	0	287.300	2.962	20	30		CFEDRM
C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739194342	574200652	/nfs/dbraw/zinc/20/06/52/574200652.db2.gz	QTQDZVOMBGAAAL-BXKDBHETSA-N	-1	0	293.754	2.694	20	30		CFEDRM
CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000739298622	574206119	/nfs/dbraw/zinc/20/61/19/574206119.db2.gz	GAGZKGFQKALJGS-HNNXBMFYSA-N	-1	0	289.335	2.518	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(OCC(=O)[O-])c1)c1ccccc1	ZINC000733203555	574210747	/nfs/dbraw/zinc/21/07/47/574210747.db2.gz	PQWNCWBNFUTEQR-CYBMUJFWSA-N	-1	0	298.342	2.835	20	30		CFEDRM
CC(C)Oc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000748002673	574224302	/nfs/dbraw/zinc/22/43/02/574224302.db2.gz	LAZOTSJTNJFPPM-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
C=CCC[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000756379961	574231427	/nfs/dbraw/zinc/23/14/27/574231427.db2.gz	PNOLIZNXTGJTJY-AWEZNQCLSA-N	-1	0	286.331	2.851	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Cc3cc(F)ccc3C2=O)o1	ZINC000740124465	574237735	/nfs/dbraw/zinc/23/77/35/574237735.db2.gz	ZZFXIPJIRVCVJT-VQHVLOKHSA-N	-1	0	272.231	2.939	20	30		CFEDRM
O=C([O-])c1ccc(OCC/N=C/c2ccccc2O)cc1	ZINC000740165379	574240494	/nfs/dbraw/zinc/24/04/94/574240494.db2.gz	NUCVNYBXPHMSMN-GZTJUZNOSA-N	-1	0	285.299	2.588	20	30		CFEDRM
O=C([O-])c1occc1/C=C1/COc2ccc(F)cc2C1=O	ZINC000740306557	574246234	/nfs/dbraw/zinc/24/62/34/574246234.db2.gz	CLXFCSDMGKIOLX-UITAMQMPSA-N	-1	0	288.230	2.776	20	30		CFEDRM
N#Cc1ccc(NC(=O)Nc2ccc(NC(=O)[O-])nc2)cc1	ZINC000740318163	574246495	/nfs/dbraw/zinc/24/64/95/574246495.db2.gz	WSUXTICATCQZJD-UHFFFAOYSA-N	-1	0	297.274	2.687	20	30		CFEDRM
N#Cc1cc(F)c(NCCCN(C(=O)[O-])C2CC2)c(F)c1	ZINC000740311191	574246562	/nfs/dbraw/zinc/24/65/62/574246562.db2.gz	OMQULGJEYBGANP-UHFFFAOYSA-N	-1	0	295.289	2.781	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCCN(C(=O)[O-])C2)c(F)c1	ZINC000740317942	574246653	/nfs/dbraw/zinc/24/66/53/574246653.db2.gz	UFNWVUDAJIYJCN-LLVKDONJSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cccc(N[C@H](CNC(=O)[O-])C2CCCCC2)n1	ZINC000740323099	574246991	/nfs/dbraw/zinc/24/69/91/574246991.db2.gz	MGRUFUXBYJOLIV-CYBMUJFWSA-N	-1	0	288.351	2.582	20	30		CFEDRM
N#Cc1cccc(C(=O)Oc2cccc(CNC(=O)[O-])c2)c1	ZINC000740319935	574247055	/nfs/dbraw/zinc/24/70/55/574247055.db2.gz	AGUSGCMFAUDEKM-UHFFFAOYSA-N	-1	0	296.282	2.545	20	30		CFEDRM
N#Cc1nccnc1Nc1ccc2c(c1)CCCN2C(=O)[O-]	ZINC000740325185	574247083	/nfs/dbraw/zinc/24/70/83/574247083.db2.gz	SBCHXNQSWWRHHI-UHFFFAOYSA-N	-1	0	295.302	2.522	20	30		CFEDRM
CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000748411045	574251488	/nfs/dbraw/zinc/25/14/88/574251488.db2.gz	UZUZCJQAGJSFAA-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
O=C([O-])NC1CCC(=NNCc2cc(F)ccc2F)CC1	ZINC000740551094	574255065	/nfs/dbraw/zinc/25/50/65/574255065.db2.gz	JOBOYBBKADSBMD-UHFFFAOYSA-N	-1	0	297.305	2.621	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1	ZINC000756845807	574268123	/nfs/dbraw/zinc/26/81/23/574268123.db2.gz	GVGIGGBITOZANV-XHSDSOJGSA-N	-1	0	297.354	2.534	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(C#N)cc1	ZINC000756898956	574271493	/nfs/dbraw/zinc/27/14/93/574271493.db2.gz	JGBVQLZHSALAGQ-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cnc(C)s1	ZINC000756906089	574271805	/nfs/dbraw/zinc/27/18/05/574271805.db2.gz	SZEHXTRLKMMUAK-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
CCC(CC)NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000734366627	574284404	/nfs/dbraw/zinc/28/44/04/574284404.db2.gz	ZWRXJDHTBCURRI-NSHDSACASA-N	-1	0	278.352	2.651	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749608003	574301896	/nfs/dbraw/zinc/30/18/96/574301896.db2.gz	GLWFZISOQJUEME-UHFFFAOYSA-N	-1	0	290.254	2.671	20	30		CFEDRM
CC(C)CON=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000749636377	574303531	/nfs/dbraw/zinc/30/35/31/574303531.db2.gz	GKPURDGJBJACCE-UHFFFAOYSA-N	-1	0	272.688	2.960	20	30		CFEDRM
Cc1cc2cc(C=NNc3nnc(C)c(=O)[n-]3)oc2cc1C	ZINC000749811908	574310279	/nfs/dbraw/zinc/31/02/79/574310279.db2.gz	GDBWYZKSTBOITM-UHFFFAOYSA-N	-1	0	297.318	2.695	20	30		CFEDRM
CCC(=NN[C@H](C)CO)c1cc(Cl)cc(Cl)c1[O-]	ZINC000749820898	574311265	/nfs/dbraw/zinc/31/12/65/574311265.db2.gz	KZOIIDVAVHCQEN-SSDOTTSWSA-N	-1	0	291.178	2.784	20	30		CFEDRM
Cc1cc(NN=Cc2cc(F)c([O-])c(F)c2)nc(C)n1	ZINC000749859072	574312948	/nfs/dbraw/zinc/31/29/48/574312948.db2.gz	PRTVYBOVVQIONQ-UHFFFAOYSA-N	-1	0	278.262	2.523	20	30		CFEDRM
O=C([O-])c1ccccc1C=Nn1cnnc1-c1ccccc1	ZINC000725856973	574333259	/nfs/dbraw/zinc/33/32/59/574333259.db2.gz	SLYQDSAPGUYOQW-UHFFFAOYSA-N	-1	0	292.298	2.526	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cncs2)cc1	ZINC000735792253	574335769	/nfs/dbraw/zinc/33/57/69/574335769.db2.gz	AVDZPMFUBFAXJR-ZZXKWVIFSA-N	-1	0	259.286	2.737	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2cncs2)cc1	ZINC000735792250	574335873	/nfs/dbraw/zinc/33/58/73/574335873.db2.gz	AVDZPMFUBFAXJR-UTCJRWHESA-N	-1	0	259.286	2.737	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccn1	ZINC000736077365	574349896	/nfs/dbraw/zinc/34/98/96/574349896.db2.gz	SALDFFIPXMUUOX-OAHLLOKOSA-N	-1	0	295.294	2.701	20	30		CFEDRM
C#CCOc1cccc(OCc2occc2C(=O)[O-])c1	ZINC000736087953	574350204	/nfs/dbraw/zinc/35/02/04/574350204.db2.gz	OJOMNNQPQBSPFW-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C#CCOc1cccc(OCc2ccc(C(=O)[O-])cc2)c1	ZINC000736087201	574350349	/nfs/dbraw/zinc/35/03/49/574350349.db2.gz	DNVCESSBVLUOFG-UHFFFAOYSA-N	-1	0	282.295	2.976	20	30		CFEDRM
C#Cc1cccc(N(C)Cc2cc(C(=O)[O-])oc2C)c1	ZINC000736090560	574350643	/nfs/dbraw/zinc/35/06/43/574350643.db2.gz	CCZFHYZVBXUYMJ-UHFFFAOYSA-N	-1	0	269.300	2.904	20	30		CFEDRM
C=CCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-]	ZINC000736098176	574351280	/nfs/dbraw/zinc/35/12/80/574351280.db2.gz	UNHSPYJBJQYICP-UHFFFAOYSA-N	-1	0	254.669	2.910	20	30		CFEDRM
C=CCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl	ZINC000736098184	574351317	/nfs/dbraw/zinc/35/13/17/574351317.db2.gz	UUJVKOJHVBKZOK-UHFFFAOYSA-N	-1	0	254.669	2.910	20	30		CFEDRM
CC[C@H](C)C[C@H](C)/N=C\c1c(O)c(C)ncc1CO	ZINC000743042233	574352084	/nfs/dbraw/zinc/35/20/84/574352084.db2.gz	IIICBYYGRRQFEC-DICGKTMHSA-N	-1	0	264.369	2.832	20	30		CFEDRM
C[C@H](C#N)Oc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1	ZINC000736204124	574354427	/nfs/dbraw/zinc/35/44/27/574354427.db2.gz	YQBPBXVBZXTYLE-YUSFRKCESA-N	-1	0	294.310	2.998	20	30		CFEDRM
N#Cc1ccc(SCC(=O)c2cc(C(=O)[O-])co2)cc1	ZINC000739132418	574362100	/nfs/dbraw/zinc/36/21/00/574362100.db2.gz	PPLGHMIWYSMMGC-UHFFFAOYSA-N	-1	0	287.296	2.824	20	30		CFEDRM
CCc1ncc(C=NNc2cccc(C(=O)[O-])c2)s1	ZINC000752157372	574388583	/nfs/dbraw/zinc/38/85/83/574388583.db2.gz	MSERTIMXFFTICP-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
C=CCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CC1	ZINC000752570283	574392874	/nfs/dbraw/zinc/39/28/74/574392874.db2.gz	DGTIYLPEDDUDLR-NSHDSACASA-N	-1	0	264.281	2.825	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000825671250	601449878	/nfs/dbraw/zinc/44/98/78/601449878.db2.gz	IUIBRWLDYDKNFK-CYBMUJFWSA-N	-1	0	283.274	2.563	20	30		CFEDRM
Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)[O-])n1	ZINC000022864173	597050295	/nfs/dbraw/zinc/05/02/95/597050295.db2.gz	VCWBGQXKYAWEFC-LURJTMIESA-N	-1	0	290.266	2.846	20	30		CFEDRM
N#Cc1ccnc(SCc2ccc(C(=O)[O-])cc2)c1	ZINC000223626859	597301308	/nfs/dbraw/zinc/30/13/08/597301308.db2.gz	HYFNZVYCUOXWHK-UHFFFAOYSA-N	-1	0	270.313	2.944	20	30		CFEDRM
C[C@H](C#N)CN(Cc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000819873862	597387145	/nfs/dbraw/zinc/38/71/45/597387145.db2.gz	DTUZZJGFYGZYND-LLVKDONJSA-N	-1	0	258.321	2.509	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1csc2ccccc12	ZINC000819857470	597610304	/nfs/dbraw/zinc/61/03/04/597610304.db2.gz	XPAUMFYSVWFHGH-AWEZNQCLSA-N	-1	0	288.328	2.844	20	30		CFEDRM
C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(F)ccc1F	ZINC000820160909	597611771	/nfs/dbraw/zinc/61/17/71/597611771.db2.gz	KOXBDIMPSRKALJ-XLKFXECMSA-N	-1	0	297.257	2.574	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc2ccccc2c1	ZINC000819873299	597621065	/nfs/dbraw/zinc/62/10/65/597621065.db2.gz	ABKRSLNVHXRITQ-KRWDZBQOSA-N	-1	0	297.310	2.888	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518968	619349289	/nfs/dbraw/zinc/34/92/89/619349289.db2.gz	QHYIZIRZPRKIGL-ZETCQYMHSA-N	-1	0	293.797	2.737	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccccc2[N+](=O)[O-])CC1	ZINC000814685226	598095107	/nfs/dbraw/zinc/09/51/07/598095107.db2.gz	DZWOQCABBDSHIA-UHFFFAOYSA-N	-1	0	277.280	2.638	20	30		CFEDRM
CC(C)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820057744	598222411	/nfs/dbraw/zinc/22/24/11/598222411.db2.gz	ZDLDSVAOLFFMBI-HNNXBMFYSA-N	-1	0	274.320	2.753	20	30		CFEDRM
CCCc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000820325900	598222489	/nfs/dbraw/zinc/22/24/89/598222489.db2.gz	IYVCVADNCLUNPA-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
CCCCC1CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1	ZINC000820311161	598225350	/nfs/dbraw/zinc/22/53/50/598225350.db2.gz	PEIVVYUDWDQHHY-SEEARECTSA-N	-1	0	294.395	2.856	20	30		CFEDRM
Cc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1Cl	ZINC000821116903	598229366	/nfs/dbraw/zinc/22/93/66/598229366.db2.gz	WWRFJUJVBNXGFP-ZDUSSCGKSA-N	-1	0	280.711	2.592	20	30		CFEDRM
CC(C)(C)c1nc(NC(=O)C(C)(C)C#N)sc1C(=O)[O-]	ZINC000826072329	601077854	/nfs/dbraw/zinc/07/78/54/601077854.db2.gz	VDAWDVWKBZTTPO-UHFFFAOYSA-N	-1	0	295.364	2.627	20	30		CFEDRM
N#Cc1ccc(OCc2ccc(C(=O)[O-])o2)cc1F	ZINC000133942972	599968753	/nfs/dbraw/zinc/96/87/53/599968753.db2.gz	VAXWXPILGINBEX-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000161189110	600274720	/nfs/dbraw/zinc/27/47/20/600274720.db2.gz	TWQVNKCSTGTBDX-UHFFFAOYSA-N	-1	0	289.118	2.912	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1cn2ccccc2c1C#N	ZINC000090098090	600590931	/nfs/dbraw/zinc/59/09/31/600590931.db2.gz	DNQCUFAKSWEKHL-JTQLQIEISA-N	-1	0	274.345	2.907	20	30		CFEDRM
C=CCCC(=O)OCCOc1ccc(C(=O)[O-])cc1Cl	ZINC000825664926	600656265	/nfs/dbraw/zinc/65/62/65/600656265.db2.gz	QFVUNYQPRGPLEP-UHFFFAOYSA-N	-1	0	298.722	2.926	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\CCc3c(O)cccc3C2=O)o1	ZINC000833312670	600830361	/nfs/dbraw/zinc/83/03/61/600830361.db2.gz	SKUFZEHFFRZGFZ-CMDGGOBGSA-N	-1	0	284.267	2.896	20	30		CFEDRM
C=C(C)CCOC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000825641992	600962675	/nfs/dbraw/zinc/96/26/75/600962675.db2.gz	CRTYEDLVSNXHGB-UHFFFAOYSA-N	-1	0	265.309	2.707	20	30		CFEDRM
C/C(=C\COc1ccc(C#N)cc1Cl)C(=O)[O-]	ZINC000088629779	601098091	/nfs/dbraw/zinc/09/80/91/601098091.db2.gz	YEEXDDIRDURPPU-XBXARRHUSA-N	-1	0	251.669	2.621	20	30		CFEDRM
COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)[O-])o1)C2=O	ZINC000832499922	601223109	/nfs/dbraw/zinc/22/31/09/601223109.db2.gz	SMYASOUJOYANKF-QPEQYQDCSA-N	-1	0	286.239	2.603	20	30		CFEDRM
COc1ccc(NCc2cccc(C#N)c2)c(C(=O)[O-])c1	ZINC000832413425	601248586	/nfs/dbraw/zinc/24/85/86/601248586.db2.gz	WQVZGOLXGKYLSO-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
N#Cc1cccc([C@@H](Nc2ccc3c(c2)OCO3)C(=O)[O-])c1	ZINC000833076126	601297977	/nfs/dbraw/zinc/29/79/77/601297977.db2.gz	QMYZFFUURDPLNM-OAHLLOKOSA-N	-1	0	296.282	2.525	20	30		CFEDRM
Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)o1	ZINC000832932099	601309704	/nfs/dbraw/zinc/30/97/04/601309704.db2.gz	JZAIBODSJSHGIY-OAHLLOKOSA-N	-1	0	284.315	2.717	20	30		CFEDRM
Cc1ccccc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000832976163	601330844	/nfs/dbraw/zinc/33/08/44/601330844.db2.gz	GZCMVOMDLDSKPY-CLFYSBASSA-N	-1	0	255.273	2.917	20	30		CFEDRM
Cc1cccc2c1C/C(=C\c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832974404	601331887	/nfs/dbraw/zinc/33/18/87/601331887.db2.gz	KNUFLPPSQFXLIH-JXMROGBWSA-N	-1	0	267.284	2.844	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)c2ccccc2F)C(=O)[O-])c1	ZINC000833077123	601347923	/nfs/dbraw/zinc/34/79/23/601347923.db2.gz	LGHUCKMMXLYGLV-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccco1	ZINC000826061183	601354504	/nfs/dbraw/zinc/35/45/04/601354504.db2.gz	CRUJPTHEYDSONP-YGRLFVJLSA-N	-1	0	299.282	2.624	20	30		CFEDRM
O=C([O-])Cc1ccccc1N=Cc1ccccc1O	ZINC000819585805	601365453	/nfs/dbraw/zinc/36/54/53/601365453.db2.gz	JRORIXMFSGVHEI-UHFFFAOYSA-N	-1	0	255.273	2.770	20	30		CFEDRM
CCCCC[C@@H](/N=C/c1cccc(O)c1O)C(=O)[O-]	ZINC000829311733	601365483	/nfs/dbraw/zinc/36/54/83/601365483.db2.gz	KFRXOSBYYAPUNM-BTAWCLGRSA-N	-1	0	265.309	2.550	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000833093792	601444914	/nfs/dbraw/zinc/44/49/14/601444914.db2.gz	BCRDNOBXBVWMHZ-FNORWQNLSA-N	-1	0	286.243	2.517	20	30		CFEDRM
Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1	ZINC000832968445	601538131	/nfs/dbraw/zinc/53/81/31/601538131.db2.gz	WRTMKMMERMSION-MRXNPFEDSA-N	-1	0	295.342	2.519	20	30		CFEDRM
C=CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000825671310	601582433	/nfs/dbraw/zinc/58/24/33/601582433.db2.gz	LLYVREGEKBBJAI-ZDUSSCGKSA-N	-1	0	281.739	2.938	20	30		CFEDRM
Cc1cc(CN(CCC#N)Cc2cccnc2)oc1C(=O)[O-]	ZINC000386456986	601596726	/nfs/dbraw/zinc/59/67/26/601596726.db2.gz	WAFXMKVXLRDTNZ-UHFFFAOYSA-N	-1	0	299.330	2.597	20	30		CFEDRM
CC(C)(C/N=C/c1cc(Cl)ccc1O)C(=O)[O-]	ZINC000826551204	601612402	/nfs/dbraw/zinc/61/24/02/601612402.db2.gz	PCGMZFWVWKBHGD-MKMNVTDBSA-N	-1	0	255.701	2.575	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)cc1F	ZINC000832156631	601792260	/nfs/dbraw/zinc/79/22/60/601792260.db2.gz	AGOQKNNTUZIFJI-DUXPYHPUSA-N	-1	0	289.262	2.757	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc3c(c2)CCO3)c[nH]1	ZINC000833093027	601792496	/nfs/dbraw/zinc/79/24/96/601792496.db2.gz	RIDBNIUDMCKWBL-IWQZZHSRSA-N	-1	0	283.283	2.544	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc3c(c2)COC3)c[nH]1	ZINC000833092729	601794048	/nfs/dbraw/zinc/79/40/48/601794048.db2.gz	LUIFEKPHJAKWMZ-DAFODLJHSA-N	-1	0	283.283	2.639	20	30		CFEDRM
N#CC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCCC1	ZINC000833064173	601822110	/nfs/dbraw/zinc/82/21/10/601822110.db2.gz	FZUFOSIZYPXDIJ-UHFFFAOYSA-N	-1	0	292.379	2.564	20	30		CFEDRM
COc1cccc(O)c1/C=N/Cc1cccc(C(=O)[O-])c1	ZINC000832561983	601845311	/nfs/dbraw/zinc/84/53/11/601845311.db2.gz	ISGJBRPTZRLPIG-LICLKQGHSA-N	-1	0	285.299	2.718	20	30		CFEDRM
C[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(=O)[O-]	ZINC000794857116	602065304	/nfs/dbraw/zinc/06/53/04/602065304.db2.gz	VYOYWBRCQAQELB-LBPRGKRZSA-N	-1	0	284.315	2.985	20	30		CFEDRM
CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1	ZINC000831046964	602161945	/nfs/dbraw/zinc/16/19/45/602161945.db2.gz	PGPWWNSSPNVZFB-UHFFFAOYSA-N	-1	0	251.285	2.826	20	30		CFEDRM
C=CCC(CC=C)C(=O)OCc1ccc(C(=O)[O-])o1	ZINC000825665095	602185713	/nfs/dbraw/zinc/18/57/13/602185713.db2.gz	UDFCQKOFXNUOJJ-UHFFFAOYSA-N	-1	0	264.277	2.789	20	30		CFEDRM
C=CCC(CC=C)C(=O)Oc1cccc(CC(=O)[O-])c1	ZINC000825664970	602191170	/nfs/dbraw/zinc/19/11/70/602191170.db2.gz	RPFUDUUWDGQJLC-UHFFFAOYSA-N	-1	0	274.316	2.988	20	30		CFEDRM
CC(C)CN(CCC(=O)[O-])c1cccc(F)c1C#N	ZINC000826876046	602237361	/nfs/dbraw/zinc/23/73/61/602237361.db2.gz	OWMZWRKQFJKJPA-UHFFFAOYSA-N	-1	0	264.300	2.634	20	30		CFEDRM
C=CCC(CC=C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000825664653	602283366	/nfs/dbraw/zinc/28/33/66/602283366.db2.gz	HLRMVEWGDDPSJF-HNNXBMFYSA-N	-1	0	299.326	2.996	20	30		CFEDRM
Cc1ccc(C#N)cc1OCc1ccc(C(=O)[O-])o1	ZINC000232309206	602306783	/nfs/dbraw/zinc/30/67/83/602306783.db2.gz	TZEQZXSMVOOFKY-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1	ZINC000833072578	602356364	/nfs/dbraw/zinc/35/63/64/602356364.db2.gz	VOZFWODPWZSABA-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000233435738	602382263	/nfs/dbraw/zinc/38/22/63/602382263.db2.gz	CGOGTEKUQBUUCU-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccccc1NC(=O)[O-]	ZINC000823516212	602834531	/nfs/dbraw/zinc/83/45/31/602834531.db2.gz	CEESLFIYDJAIBA-UHFFFAOYSA-N	-1	0	278.308	2.698	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1	ZINC000823485703	602860712	/nfs/dbraw/zinc/86/07/12/602860712.db2.gz	IYOYORYVNVMZRO-UHFFFAOYSA-N	-1	0	274.320	2.877	20	30		CFEDRM
C[C@H](NC(=O)[O-])C1CCN(c2ccc(F)cc2C#N)CC1	ZINC000825287910	603187187	/nfs/dbraw/zinc/18/71/87/603187187.db2.gz	LCEGEKQGGPWYDV-JTQLQIEISA-N	-1	0	291.326	2.570	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738894199	603301322	/nfs/dbraw/zinc/30/13/22/603301322.db2.gz	QVPLLJBMBOZVTM-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C#CC[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)C	ZINC000823440807	603440360	/nfs/dbraw/zinc/44/03/60/603440360.db2.gz	JAUGXNVIGSPEFO-CQSZACIVSA-N	-1	0	289.331	2.910	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2cccc(F)c2F)cn1	ZINC000832840615	603487972	/nfs/dbraw/zinc/48/79/72/603487972.db2.gz	KPZNFKLWFMZLPX-UHFFFAOYSA-N	-1	0	292.245	2.896	20	30		CFEDRM
CCC(CC)(CNc1ccc(C#N)cc1F)NC(=O)[O-]	ZINC000826566710	603524540	/nfs/dbraw/zinc/52/45/40/603524540.db2.gz	UUBGBDSPTWHTAK-UHFFFAOYSA-N	-1	0	279.315	2.936	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000900355188	620664061	/nfs/dbraw/zinc/66/40/61/620664061.db2.gz	HKSACOACBAKDML-CYBMUJFWSA-N	-1	0	274.320	2.704	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@@H](CSC)C(=O)[O-])c1	ZINC000900355303	620663941	/nfs/dbraw/zinc/66/39/41/620663941.db2.gz	KPIJKKVKSNXMNO-LBPRGKRZSA-N	-1	0	294.376	2.657	20	30		CFEDRM
C=C(Br)CN(C)CC[C@H](NC(=O)[O-])C(C)C	ZINC000823474029	603821784	/nfs/dbraw/zinc/82/17/84/603821784.db2.gz	LKQYIWJCNOVRSU-JTQLQIEISA-N	-1	0	293.205	2.509	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1	ZINC000900355522	620664130	/nfs/dbraw/zinc/66/41/30/620664130.db2.gz	OWYUHTWWRFRQQS-UHFFFAOYSA-N	-1	0	286.331	2.529	20	30		CFEDRM
Cc1ccc(N=NCC2CCN(C(=O)[O-])CC2)cc1	ZINC000830396337	603855485	/nfs/dbraw/zinc/85/54/85/603855485.db2.gz	YUYQJHWIMTUFMC-UHFFFAOYSA-N	-1	0	261.325	2.783	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-]	ZINC000823490770	603949672	/nfs/dbraw/zinc/94/96/72/603949672.db2.gz	KYBGVFVXYSGHTC-XQQFMLRXSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823485671	603983567	/nfs/dbraw/zinc/98/35/67/603983567.db2.gz	IEZPMVWBFSMPRF-UHFFFAOYSA-N	-1	0	295.726	2.601	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000823496292	603990926	/nfs/dbraw/zinc/99/09/26/603990926.db2.gz	HHIKWAVWIILZFD-ZIAGYGMSSA-N	-1	0	294.395	2.866	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1	ZINC000823491200	604047934	/nfs/dbraw/zinc/04/79/34/604047934.db2.gz	RYIBYIFSNOLEGP-LBPRGKRZSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C#CCNc1ccc(NC(=O)[O-])cc1C(F)(F)F	ZINC000823462616	604049973	/nfs/dbraw/zinc/04/99/73/604049973.db2.gz	FCNGGIORXBXAQK-UHFFFAOYSA-N	-1	0	258.199	2.840	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823473542	604303312	/nfs/dbraw/zinc/30/33/12/604303312.db2.gz	GCJOXBYIORXLIV-KGLIPLIRSA-N	-1	0	296.411	2.827	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H]2CC(=O)[O-])c2ccccc2n1	ZINC000833069879	604468999	/nfs/dbraw/zinc/46/89/99/604468999.db2.gz	YIFCBALVRYJWEO-LBPRGKRZSA-N	-1	0	281.315	2.550	20	30		CFEDRM
C#C[C@@H](OC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC)C1CC1	ZINC000833360919	604476175	/nfs/dbraw/zinc/47/61/75/604476175.db2.gz	SGZFIFKYGMTWIH-GFCCVEGCSA-N	-1	0	289.331	2.542	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833066165	604527297	/nfs/dbraw/zinc/52/72/97/604527297.db2.gz	XJLVWLRVGIRDCE-UHFFFAOYSA-N	-1	0	293.348	2.604	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)OCC	ZINC000819706091	604568598	/nfs/dbraw/zinc/56/85/98/604568598.db2.gz	NGIIDVZMOXVZIQ-AWEZNQCLSA-N	-1	0	291.347	2.624	20	30		CFEDRM
CC1CC(C#N)(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000828156746	604604098	/nfs/dbraw/zinc/60/40/98/604604098.db2.gz	RADZXQGQANSNIM-UHFFFAOYSA-N	-1	0	291.278	2.507	20	30		CFEDRM
Cc1sc(C(=O)[O-])cc1COC(=O)C1(C#N)CC(C)C1	ZINC000833031896	604604584	/nfs/dbraw/zinc/60/45/84/604604584.db2.gz	PZFDNZIJTQSJFT-UHFFFAOYSA-N	-1	0	293.344	2.738	20	30		CFEDRM
CC(N=Nc1ccc(Cl)nn1)c1ccc(C(=O)[O-])cc1	ZINC000825809072	604635931	/nfs/dbraw/zinc/63/59/31/604635931.db2.gz	MAOHBWPMSMZMLD-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
CN(Cc1ccc(C#N)s1)[C@@H](C(=O)[O-])c1ccccc1	ZINC000833696386	604646450	/nfs/dbraw/zinc/64/64/50/604646450.db2.gz	KYRJCUOYNYZKHM-CQSZACIVSA-N	-1	0	286.356	2.877	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc(NC(=O)[O-])nc2)c1	ZINC000830499096	604677974	/nfs/dbraw/zinc/67/79/74/604677974.db2.gz	WRNQNAKUQAARGK-UHFFFAOYSA-N	-1	0	284.319	2.604	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833374013	604700221	/nfs/dbraw/zinc/70/02/21/604700221.db2.gz	NNAYARTVLCPJKL-JTQLQIEISA-N	-1	0	296.294	2.548	20	30		CFEDRM
O=C([O-])N1CCc2cccc(C=NOCC(F)(F)F)c21	ZINC000832079084	604709072	/nfs/dbraw/zinc/70/90/72/604709072.db2.gz	CZGHNEKRUHBSON-UHFFFAOYSA-N	-1	0	288.225	2.640	20	30		CFEDRM
C=CCCCOC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833373966	604734082	/nfs/dbraw/zinc/73/40/82/604734082.db2.gz	LQHLAVGJZFRZHZ-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
C=CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1cccs1	ZINC000028188240	604750020	/nfs/dbraw/zinc/75/00/20/604750020.db2.gz	QOFQVRJHPZXATP-MRVPVSSYSA-N	-1	0	295.389	2.758	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)c(F)c1	ZINC000833072771	604772234	/nfs/dbraw/zinc/77/22/34/604772234.db2.gz	PZWVXHSSOJGGON-HYXAFXHYSA-N	-1	0	268.247	2.961	20	30		CFEDRM
C=C[C@H](CC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000833371313	604778469	/nfs/dbraw/zinc/77/84/69/604778469.db2.gz	NCEFLRZDQUAONE-GZBFAFLISA-N	-1	0	287.359	2.525	20	30		CFEDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)cc2)C1	ZINC000134981826	604871761	/nfs/dbraw/zinc/87/17/61/604871761.db2.gz	VHWRSNMABUIZGJ-CYBMUJFWSA-N	-1	0	272.348	2.885	20	30		CFEDRM
CC1=C(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCC1	ZINC000833578851	604880943	/nfs/dbraw/zinc/88/09/43/604880943.db2.gz	LBGBFUUEFLPKOG-AWEZNQCLSA-N	-1	0	285.299	2.728	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)OCC#Cc2ccccc2)cc1F	ZINC000833349157	604882144	/nfs/dbraw/zinc/88/21/44/604882144.db2.gz	HZKXRFBHHWVVSU-UHFFFAOYSA-N	-1	0	298.269	2.732	20	30		CFEDRM
C=CCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000833373316	604898515	/nfs/dbraw/zinc/89/85/15/604898515.db2.gz	LADIRIUZMAYDBE-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CC1	ZINC000162387056	604912283	/nfs/dbraw/zinc/91/22/83/604912283.db2.gz	RWFDXMJXVOBEJX-UHFFFAOYSA-N	-1	0	296.273	2.845	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000825671206	604975224	/nfs/dbraw/zinc/97/52/24/604975224.db2.gz	FWSSJGDPJYAXGM-UHFFFAOYSA-N	-1	0	297.380	2.590	20	30		CFEDRM
C#CCCCCC(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000833362808	605007431	/nfs/dbraw/zinc/00/74/31/605007431.db2.gz	LWYQLDWLSVMILN-UHFFFAOYSA-N	-1	0	261.277	2.876	20	30		CFEDRM
C#CCCCCC(=O)Nc1nc(CCCC(=O)[O-])cs1	ZINC000236415040	605013499	/nfs/dbraw/zinc/01/34/99/605013499.db2.gz	VNLXPGMVTHDIRA-UHFFFAOYSA-N	-1	0	294.376	2.683	20	30		CFEDRM
C=C(CC)COC(=O)c1ccccc1N(C)C(=O)[O-]	ZINC000833371018	605014339	/nfs/dbraw/zinc/01/43/39/605014339.db2.gz	VALRWIUPZYFSLT-UHFFFAOYSA-N	-1	0	263.293	2.924	20	30		CFEDRM
C=C[C@H](CC(=O)O[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000833370938	605017312	/nfs/dbraw/zinc/01/73/12/605017312.db2.gz	JLJXHNOMARKPTM-DGCLKSJQSA-N	-1	0	262.305	2.753	20	30		CFEDRM
C#CCCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1	ZINC000833363056	605018698	/nfs/dbraw/zinc/01/86/98/605018698.db2.gz	YMKJBFXPVHEEFO-CQSZACIVSA-N	-1	0	260.289	2.549	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])oc1C	ZINC000833362627	605018754	/nfs/dbraw/zinc/01/87/54/605018754.db2.gz	BHVKXGDLVBOZOZ-UHFFFAOYSA-N	-1	0	264.277	2.523	20	30		CFEDRM
C#CCCCCC(=O)Oc1cc(C(=O)[O-])cc(F)c1C	ZINC000833362881	605020651	/nfs/dbraw/zinc/02/06/51/605020651.db2.gz	OSXUVCFYQUXSSC-UHFFFAOYSA-N	-1	0	278.279	2.931	20	30		CFEDRM
N#CCCCOc1cccc(N[C@H](C(=O)[O-])C2CC2)c1	ZINC000833760496	605064944	/nfs/dbraw/zinc/06/49/44/605064944.db2.gz	WDWHGVKTVNYUCL-AWEZNQCLSA-N	-1	0	274.320	2.644	20	30		CFEDRM
CC(C)(C#N)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833413400	605078693	/nfs/dbraw/zinc/07/86/93/605078693.db2.gz	OHIFMHJEOGHTFO-GQCTYLIASA-N	-1	0	289.291	2.654	20	30		CFEDRM
C=C[C@H](CC)OC(=O)CCc1ccccc1C(=O)[O-]	ZINC000833370709	605085821	/nfs/dbraw/zinc/08/58/21/605085821.db2.gz	GTEQPIKJCJLHLX-GFCCVEGCSA-N	-1	0	262.305	2.825	20	30		CFEDRM
C=C[C@@H](CC)OC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000833370365	605086178	/nfs/dbraw/zinc/08/61/78/605086178.db2.gz	CKTKGVQSBXNPEQ-NSHDSACASA-N	-1	0	287.315	2.847	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cccc2c1OCO2	ZINC000833783787	605099931	/nfs/dbraw/zinc/09/99/31/605099931.db2.gz	QKEGZCZSWGXVFF-UHFFFAOYSA-N	-1	0	284.271	2.560	20	30		CFEDRM
C=CCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1cccs1	ZINC000833374240	605102365	/nfs/dbraw/zinc/10/23/65/605102365.db2.gz	CZNJEQFJIZEGKE-UHFFFAOYSA-N	-1	0	276.361	2.963	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833760146	605127474	/nfs/dbraw/zinc/12/74/74/605127474.db2.gz	HFFONOLGLAPKIV-UHFFFAOYSA-N	-1	0	293.348	2.604	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000821320526	605128551	/nfs/dbraw/zinc/12/85/51/605128551.db2.gz	QYTYARZOKPIQEL-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCOC1	ZINC000833386736	605156014	/nfs/dbraw/zinc/15/60/14/605156014.db2.gz	WHPAQVMKUQLWFM-VIFPVBQESA-N	-1	0	282.727	2.863	20	30		CFEDRM
C=C(C)CSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833369841	605180620	/nfs/dbraw/zinc/18/06/20/605180620.db2.gz	GGHGBPXDCGOHSG-UHFFFAOYSA-N	-1	0	280.345	2.981	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(C#N)c(F)c1	ZINC000776775362	605203133	/nfs/dbraw/zinc/20/31/33/605203133.db2.gz	HZUSYDUTWWVANG-UHFFFAOYSA-N	-1	0	298.277	2.627	20	30		CFEDRM
COc1ccc(NCc2ccc(C#N)o2)cc1NC(=O)[O-]	ZINC000829479782	605244714	/nfs/dbraw/zinc/24/47/14/605244714.db2.gz	OFKGKAIASCJKOT-UHFFFAOYSA-N	-1	0	287.275	2.862	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CNC(=O)[O-])c2)s1	ZINC000831126820	605248289	/nfs/dbraw/zinc/24/82/89/605248289.db2.gz	SRWOUJZTBLNCNI-UHFFFAOYSA-N	-1	0	287.344	2.999	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000398199516	605249019	/nfs/dbraw/zinc/24/90/19/605249019.db2.gz	DSQHDKKMPAFWGZ-JTQLQIEISA-N	-1	0	280.324	2.522	20	30		CFEDRM
C#CCN(C(=O)CC(C)(C)CC(=O)[O-])C1CCCCC1	ZINC000688835616	605258423	/nfs/dbraw/zinc/25/84/23/605258423.db2.gz	HRRZDMFGCPSGHF-UHFFFAOYSA-N	-1	0	279.380	2.672	20	30		CFEDRM
Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)ccc1NC(=O)[O-]	ZINC000829940413	605326227	/nfs/dbraw/zinc/32/62/27/605326227.db2.gz	MQZZZPSDOUHPDG-WCQYABFASA-N	-1	0	287.319	2.507	20	30		CFEDRM
C#CCOc1cccc(OCc2ccccc2C(=O)[O-])c1	ZINC000833366907	605351623	/nfs/dbraw/zinc/35/16/23/605351623.db2.gz	LNSSJRWFNWGSKO-UHFFFAOYSA-N	-1	0	282.295	2.976	20	30		CFEDRM
N#Cc1ccc2nc(NCC3(NC(=O)[O-])CCC3)ccc2c1	ZINC000833977713	605362043	/nfs/dbraw/zinc/36/20/43/605362043.db2.gz	VZNOUXUNEIDINS-UHFFFAOYSA-N	-1	0	296.330	2.709	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cc(Cl)ccn1	ZINC000834212121	605391142	/nfs/dbraw/zinc/39/11/42/605391142.db2.gz	RCXRJNMVZRCTJP-QMMMGPOBSA-N	-1	0	282.731	2.571	20	30		CFEDRM
N#Cc1ccc(Sc2ccc(NC(=O)[O-])cc2)nn1	ZINC000833976696	605417978	/nfs/dbraw/zinc/41/79/78/605417978.db2.gz	KOOSBQHEPGIMBI-UHFFFAOYSA-N	-1	0	272.289	2.589	20	30		CFEDRM
C[C@@H]1CCC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833610500	605489474	/nfs/dbraw/zinc/48/94/74/605489474.db2.gz	WMDNCEWJFPQVNS-SWHYSGLUSA-N	-1	0	287.315	2.663	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2c(Cl)cccc2C#N)C1	ZINC000833817274	605500666	/nfs/dbraw/zinc/50/06/66/605500666.db2.gz	LDPMPWCIGNFBNS-MWLCHTKSSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C#CCCCCCC(=O)Oc1cccc(C(=O)[O-])c1	ZINC000833361668	605575411	/nfs/dbraw/zinc/57/54/11/605575411.db2.gz	GSSQJKIRJHSXSG-UHFFFAOYSA-N	-1	0	260.289	2.874	20	30		CFEDRM
C#CCCCCCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000819700729	605575370	/nfs/dbraw/zinc/57/53/70/605575370.db2.gz	GGCHDZIAOJMXFC-UHFFFAOYSA-N	-1	0	273.332	2.585	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccsc1C(=O)[O-]	ZINC000833361934	605576841	/nfs/dbraw/zinc/57/68/41/605576841.db2.gz	SJAHAFUHIRJXMC-UHFFFAOYSA-N	-1	0	265.334	2.969	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C\c1ccoc1C(=O)[O-]	ZINC000833734010	605577140	/nfs/dbraw/zinc/57/71/40/605577140.db2.gz	ZCCIRVSWWPRQQN-RQOWECAXSA-N	-1	0	288.255	2.588	20	30		CFEDRM
C#CCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000833361813	605577493	/nfs/dbraw/zinc/57/74/93/605577493.db2.gz	NHNJKXSSVWCHAP-INIZCTEOSA-N	-1	0	299.370	2.608	20	30		CFEDRM
N#CCN(CCC1CCN(C(=O)[O-])CC1)C1CCCC1	ZINC000833968200	605608193	/nfs/dbraw/zinc/60/81/93/605608193.db2.gz	YDMHMXBVUFDSFG-UHFFFAOYSA-N	-1	0	279.384	2.535	20	30		CFEDRM
CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833639496	605672574	/nfs/dbraw/zinc/67/25/74/605672574.db2.gz	UYCQZNWKBFHLTC-MISXGVKJSA-N	-1	0	289.331	2.909	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NOCC(F)(F)F	ZINC000834107091	605725228	/nfs/dbraw/zinc/72/52/28/605725228.db2.gz	WBBRSUUUGDVBRC-PSASIEDQSA-N	-1	0	294.273	2.864	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NO[C@@H]1CCCCO1	ZINC000834102400	605725285	/nfs/dbraw/zinc/72/52/85/605725285.db2.gz	DLUGZPXNUZNXJD-IACUBPJLSA-N	-1	0	296.367	2.828	20	30		CFEDRM
C[C@H](C#N)Oc1ccccc1NCc1ccc(C(=O)[O-])o1	ZINC000833402752	605730367	/nfs/dbraw/zinc/73/03/67/605730367.db2.gz	VHQWJMVVYFBJNT-SNVBAGLBSA-N	-1	0	286.287	2.881	20	30		CFEDRM
N#CCCN(Cc1cc(C(=O)[O-])ccc1F)CC1CC1	ZINC000833760411	605840054	/nfs/dbraw/zinc/84/00/54/605840054.db2.gz	QXJKWJKYPJRFDI-UHFFFAOYSA-N	-1	0	276.311	2.650	20	30		CFEDRM
C=CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)C1CC1	ZINC000833787811	605843350	/nfs/dbraw/zinc/84/33/50/605843350.db2.gz	DAHLZACWFWUADN-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cccc2cnccc21	ZINC000834170695	605859233	/nfs/dbraw/zinc/85/92/33/605859233.db2.gz	VWUDUNHXKYIMRG-ZDUSSCGKSA-N	-1	0	284.319	2.823	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ccc(OC(F)F)cc1	ZINC000834171541	605860079	/nfs/dbraw/zinc/86/00/79/605860079.db2.gz	ZEJBQKWIBVQXIY-JTQLQIEISA-N	-1	0	299.277	2.876	20	30		CFEDRM
O=C([O-])N1CCCC(=NOCc2ccccc2)CC1	ZINC000834097217	605990639	/nfs/dbraw/zinc/99/06/39/605990639.db2.gz	UFQAVPIERJWEKZ-UHFFFAOYSA-N	-1	0	262.309	2.723	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cc(Cl)ccn2)CC1	ZINC000834096948	605992113	/nfs/dbraw/zinc/99/21/13/605992113.db2.gz	JQIJUZUGPBEKBC-UHFFFAOYSA-N	-1	0	282.731	2.667	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cccc(F)c2)CC1	ZINC000834097055	605992388	/nfs/dbraw/zinc/99/23/88/605992388.db2.gz	NZLZMWGXTDHOCD-UHFFFAOYSA-N	-1	0	265.288	2.758	20	30		CFEDRM
N#CCOc1cccc(N[C@H]2CCCN(C(=O)[O-])CC2)c1	ZINC000833967661	606059972	/nfs/dbraw/zinc/05/99/72/606059972.db2.gz	LSRQAJVYHXHZTQ-LBPRGKRZSA-N	-1	0	289.335	2.533	20	30		CFEDRM
O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1[O-]	ZINC000822924050	606857655	/nfs/dbraw/zinc/85/76/55/606857655.db2.gz	WBICYLWWFYGKDW-WAYWQWQTSA-N	-1	0	298.327	2.530	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1cccc(F)c1[O-]	ZINC000935994096	649970350	/nfs/dbraw/zinc/97/03/50/649970350.db2.gz	ZIMQBYBBQJAOFR-UHFFFAOYSA-N	-1	0	264.300	2.591	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]C(=O)c2ccoc2)c(C)s1	ZINC000049501683	617607117	/nfs/dbraw/zinc/60/71/17/617607117.db2.gz	KSTZIEZFMWPOPT-UHFFFAOYSA-N	-1	0	285.346	2.651	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)C1CC1	ZINC000048455743	618072242	/nfs/dbraw/zinc/07/22/42/618072242.db2.gz	JAWPRJIMIHXLBZ-HJWRWDBZSA-N	-1	0	283.324	2.827	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000049416794	617603659	/nfs/dbraw/zinc/60/36/59/617603659.db2.gz	ODNMQZBMHKKRHZ-LBPRGKRZSA-N	-1	0	297.376	2.621	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1cccc(F)c1	ZINC000049418166	617604066	/nfs/dbraw/zinc/60/40/66/617604066.db2.gz	LAQYLZPUHCBIDX-JTQLQIEISA-N	-1	0	287.356	2.699	20	30		CFEDRM
CCOc1ccc(CCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417578	617604093	/nfs/dbraw/zinc/60/40/93/617604093.db2.gz	WDXQKRISWHFUGE-UHFFFAOYSA-N	-1	0	299.392	2.713	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC2CC2)cc1	ZINC000049417567	617604261	/nfs/dbraw/zinc/60/42/61/617604261.db2.gz	GPCAHBULUOXQAD-UHFFFAOYSA-N	-1	0	297.376	2.518	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CC)OC)cc1	ZINC000049460688	617605229	/nfs/dbraw/zinc/60/52/29/617605229.db2.gz	CBHGHQCNTLAOOO-CYBMUJFWSA-N	-1	0	299.392	2.709	20	30		CFEDRM
COc1ccccc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513815	617608042	/nfs/dbraw/zinc/60/80/42/617608042.db2.gz	JBSVGGHGZNRXOL-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1cc2c(cc1O)OCO2	ZINC000156077449	617637396	/nfs/dbraw/zinc/63/73/96/617637396.db2.gz	JXKMRUUWMXBWLF-UHFFFAOYSA-N	-1	0	291.347	2.939	20	30		CFEDRM
Cc1noc(C)c1/C=C\C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559387	617727121	/nfs/dbraw/zinc/72/71/21/617727121.db2.gz	ZIEVWEGIKNGQRZ-SREVYHEPSA-N	-1	0	271.272	2.886	20	30		CFEDRM
C#C[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000890651113	617736559	/nfs/dbraw/zinc/73/65/59/617736559.db2.gz	WYSGIOVXDSGGKI-LLVKDONJSA-N	-1	0	286.356	2.744	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)s1	ZINC000121583378	617769835	/nfs/dbraw/zinc/76/98/35/617769835.db2.gz	AITDMPQBRQZXHF-JTQLQIEISA-N	-1	0	292.404	2.893	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3cccc(C(=O)[O-])c3)C2)CO1	ZINC000901123850	620753611	/nfs/dbraw/zinc/75/36/11/620753611.db2.gz	RHOMYMZWCJVJGC-INHVJJQHSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc([O-])c(F)c1	ZINC000255051218	617814119	/nfs/dbraw/zinc/81/41/19/617814119.db2.gz	BYADOOSWIGUTOC-WAYWQWQTSA-N	-1	0	274.295	2.723	20	30		CFEDRM
CC1(C)CC2(CC(=NNc3cnnc([O-])c3Cl)C2)CO1	ZINC000901164811	620760540	/nfs/dbraw/zinc/76/05/40/620760540.db2.gz	SNCYIVCEJMKKQV-UHFFFAOYSA-N	-1	0	296.758	2.583	20	30		CFEDRM
Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C	ZINC000255060975	617938237	/nfs/dbraw/zinc/93/82/37/617938237.db2.gz	PLZWLOXSDUGCBG-MWWKQMNYSA-N	-1	0	284.311	2.532	20	30		CFEDRM
Oc1cc(Cl)cc(C=NNCCOCC(F)(F)F)c1	ZINC000901205867	620764451	/nfs/dbraw/zinc/76/44/51/620764451.db2.gz	QUWIZDREVHSADL-UHFFFAOYSA-N	-1	0	296.676	2.548	20	30		CFEDRM
O=C([O-])c1cc(C=NOCC(F)F)sc1Cl	ZINC000901216249	620766390	/nfs/dbraw/zinc/76/63/90/620766390.db2.gz	CSFWTGVPXCDGLY-UHFFFAOYSA-N	-1	0	269.656	2.715	20	30		CFEDRM
CCOC(=O)C(C)(C)ON=C(C)c1cc(O)cc(F)c1	ZINC000901249283	620771946	/nfs/dbraw/zinc/77/19/46/620771946.db2.gz	ANIHJTJYIVFQJU-UHFFFAOYSA-N	-1	0	283.299	2.614	20	30		CFEDRM
CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)C(C)C)C1(C)C	ZINC000049418001	618080947	/nfs/dbraw/zinc/08/09/47/618080947.db2.gz	BTPKTXLPEYQKDS-WDEREUQCSA-N	-1	0	273.398	2.920	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSc1ccc(F)c(F)c1	ZINC000846542557	618110290	/nfs/dbraw/zinc/11/02/90/618110290.db2.gz	FLFBNHKURGGRFR-QMMMGPOBSA-N	-1	0	273.304	2.679	20	30		CFEDRM
C=C[C@H](CCC(=O)[O-])NC(=O)O[C@@H](C)CC(C)C	ZINC000926479303	618151774	/nfs/dbraw/zinc/15/17/74/618151774.db2.gz	JCAVMZFVKLOMMU-WDEREUQCSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C[C@@H]1C[C@@H](NN=Cc2cc(F)c([O-])c(F)c2)C[C@H](C)O1	ZINC000901311699	620783146	/nfs/dbraw/zinc/78/31/46/620783146.db2.gz	VXLCKMFFDGGOJQ-DOFRTFSJSA-N	-1	0	284.306	2.550	20	30		CFEDRM
O=C(NO)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000782172236	618196810	/nfs/dbraw/zinc/19/68/10/618196810.db2.gz	NFGZWFMIHIYGLA-UHFFFAOYSA-N	-1	0	263.680	2.832	20	30		CFEDRM
N#CCc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1	ZINC000313432885	618204941	/nfs/dbraw/zinc/20/49/41/618204941.db2.gz	DGJCBHYUOJLEEI-UHFFFAOYSA-N	-1	0	284.315	2.646	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccccc2F)c1	ZINC000176822146	618206081	/nfs/dbraw/zinc/20/60/81/618206081.db2.gz	YTGHSNYJQGZEKY-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000892400593	618226690	/nfs/dbraw/zinc/22/66/90/618226690.db2.gz	SVQWIVAAZSYKIB-UHFFFAOYSA-N	-1	0	293.388	2.546	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])o1	ZINC000176956448	618246779	/nfs/dbraw/zinc/24/67/79/618246779.db2.gz	XDUCFBTXVCTIAE-QPJJXVBHSA-N	-1	0	286.283	2.976	20	30		CFEDRM
CCn1ncc(Cl)c1C(=O)N(O)Cc1ccc(F)cc1	ZINC000901372419	620791630	/nfs/dbraw/zinc/79/16/30/620791630.db2.gz	YRMWLGZYTDIEHV-UHFFFAOYSA-N	-1	0	297.717	2.727	20	30		CFEDRM
Cc1nn(C)cc1/C=C\C(=O)c1cc(Cl)ccc1[O-]	ZINC000255847928	618341621	/nfs/dbraw/zinc/34/16/21/618341621.db2.gz	VKZLZMRAZCQDBL-HYXAFXHYSA-N	-1	0	276.723	2.984	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccccc3[nH]2)c1	ZINC000179733565	618343654	/nfs/dbraw/zinc/34/36/54/618343654.db2.gz	GWMHVOYYTJXEMG-UHFFFAOYSA-N	-1	0	277.283	2.997	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(F)c2)c1	ZINC000179735946	618343861	/nfs/dbraw/zinc/34/38/61/618343861.db2.gz	YPYBRSUFNFKKFT-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
CN(C)[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179740485	618344021	/nfs/dbraw/zinc/34/40/21/618344021.db2.gz	XVFXABGVKOJDQJ-MRXNPFEDSA-N	-1	0	295.342	2.505	20	30		CFEDRM
CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)C#N	ZINC000091982925	618353429	/nfs/dbraw/zinc/35/34/29/618353429.db2.gz	APOKPKYIKZHGFA-VIFPVBQESA-N	-1	0	297.742	2.935	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000909504426	618457280	/nfs/dbraw/zinc/45/72/80/618457280.db2.gz	FVBLGXVKHKWPMR-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
CCCC[C@H]1CCCC1N=Nc1nnc(C)c(=O)[n-]1	ZINC000727254251	618469986	/nfs/dbraw/zinc/46/99/86/618469986.db2.gz	RATBPZIAEMIXSS-JTQLQIEISA-N	-1	0	263.345	2.644	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(O[C@@H](C)CC)cc1	ZINC000909514038	618524820	/nfs/dbraw/zinc/52/48/20/618524820.db2.gz	AUGDCCRTMNQVGJ-LBPRGKRZSA-N	-1	0	291.347	2.577	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000901451345	620817402	/nfs/dbraw/zinc/81/74/02/620817402.db2.gz	SFHVREFHAXLHSE-KCPJHIHWSA-N	-1	0	257.333	2.969	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@](COC)(C(=O)[O-])C1	ZINC000314172751	618778964	/nfs/dbraw/zinc/77/89/64/618778964.db2.gz	KNBHFBNBWCEEMA-INIZCTEOSA-N	-1	0	299.411	2.687	20	30		CFEDRM
CCCCCCCCC(=O)N1CC[C@@](COC)(C(=O)[O-])C1	ZINC000314172754	618779088	/nfs/dbraw/zinc/77/90/88/618779088.db2.gz	KNBHFBNBWCEEMA-MRXNPFEDSA-N	-1	0	299.411	2.687	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCC[C@H]2CC)CC1	ZINC000893033625	618809943	/nfs/dbraw/zinc/80/99/43/618809943.db2.gz	FPBOPJMSLCRCHY-OCCSQVGLSA-N	-1	0	299.436	2.758	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(CC)o1	ZINC000162296535	618837115	/nfs/dbraw/zinc/83/71/15/618837115.db2.gz	DFJQTDPBNVOXHJ-LBPRGKRZSA-N	-1	0	290.363	2.779	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cs2)C(=O)O1	ZINC000195333102	618949986	/nfs/dbraw/zinc/94/99/86/618949986.db2.gz	HINUXYOBBWKSNM-QAVQXKDTSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc(C(C)(C)C)cs1	ZINC000094969636	619142269	/nfs/dbraw/zinc/14/22/69/619142269.db2.gz	LIAMKBDPWUCGJG-UHFFFAOYSA-N	-1	0	268.382	2.513	20	30		CFEDRM
CSC[C@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000067001112	619146811	/nfs/dbraw/zinc/14/68/11/619146811.db2.gz	FHCFKRYDGYMRKT-FBOQAHMBSA-N	-1	0	299.417	2.943	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000814809990	619260371	/nfs/dbraw/zinc/26/03/71/619260371.db2.gz	UJFCKOPPDBHNIQ-UHFFFAOYSA-N	-1	0	283.671	2.511	20	30		CFEDRM
Cc1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)no1	ZINC000791432061	619319061	/nfs/dbraw/zinc/31/90/61/619319061.db2.gz	LGLKAQAAKLKLQL-QPJJXVBHSA-N	-1	0	257.245	2.577	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)c1	ZINC000048472322	619341906	/nfs/dbraw/zinc/34/19/06/619341906.db2.gz	AMJQYTFVVFNEHR-GFCCVEGCSA-N	-1	0	297.376	2.518	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(C)c(OC)c1	ZINC000048518594	619348534	/nfs/dbraw/zinc/34/85/34/619348534.db2.gz	HGZSAEABPPEKPD-UHFFFAOYSA-N	-1	0	299.392	2.633	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1	ZINC000048518996	619349423	/nfs/dbraw/zinc/34/94/23/619349423.db2.gz	IPUFAPLJZYGFDP-UHFFFAOYSA-N	-1	0	297.376	2.921	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519101	619349426	/nfs/dbraw/zinc/34/94/26/619349426.db2.gz	OMDAASCQOMVHFE-UHFFFAOYSA-N	-1	0	259.302	2.517	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)[C@H]1CC=CCC1	ZINC000048519377	619349801	/nfs/dbraw/zinc/34/98/01/619349801.db2.gz	CAPYMCKXTBEZLR-ZDUSSCGKSA-N	-1	0	279.361	2.829	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000048520078	619350822	/nfs/dbraw/zinc/35/08/22/619350822.db2.gz	VQYQHTFJCZPUGH-UHFFFAOYSA-N	-1	0	298.408	2.756	20	30		CFEDRM
CN(Cc1ncc(Br)cc1[O-])CC(C)(C)C#N	ZINC000894608808	619427010	/nfs/dbraw/zinc/42/70/10/619427010.db2.gz	ACANZFKBHGZXPH-UHFFFAOYSA-N	-1	0	298.184	2.531	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2ccccc2s1)C(=O)[O-]	ZINC000793054447	619505268	/nfs/dbraw/zinc/50/52/68/619505268.db2.gz	GFWVYQUJGKQPCM-LLVKDONJSA-N	-1	0	262.334	2.688	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000793160969	619533574	/nfs/dbraw/zinc/53/35/74/619533574.db2.gz	YOVDSJMLTUHZLT-SECBINFHSA-N	-1	0	252.270	2.697	20	30		CFEDRM
C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)C1CC1	ZINC000049135214	619535554	/nfs/dbraw/zinc/53/55/54/619535554.db2.gz	RUSUEGSAPWEXIF-SECBINFHSA-N	-1	0	285.340	2.907	20	30		CFEDRM
C#CCN(C(=O)c1cccc(Cl)c1[O-])C(C)C	ZINC000928625908	619809167	/nfs/dbraw/zinc/80/91/67/619809167.db2.gz	GKLUBUPVSGQLAZ-UHFFFAOYSA-N	-1	0	251.713	2.529	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CCC3(CCC3)O2)c1	ZINC000896821861	619832783	/nfs/dbraw/zinc/83/27/83/619832783.db2.gz	WPUMMANTYMFIGE-GFCCVEGCSA-N	-1	0	286.331	2.694	20	30		CFEDRM
CC[C@H](C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840707580	619867388	/nfs/dbraw/zinc/86/73/88/619867388.db2.gz	PXBNMYXFNVEOIO-UKJKULFPSA-N	-1	0	280.324	2.780	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCC[C@@H]2CCOC2)c1	ZINC000840709983	619896918	/nfs/dbraw/zinc/89/69/18/619896918.db2.gz	NILLKFBCQDLRPV-BTAWCLGRSA-N	-1	0	278.308	2.536	20	30		CFEDRM
C=C1CCC(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)CC1	ZINC000909583960	619966054	/nfs/dbraw/zinc/96/60/54/619966054.db2.gz	ZVWJJVGGRQXARD-AWEZNQCLSA-N	-1	0	285.343	2.948	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(NCCCC(=O)[O-])c1	ZINC000263402247	620140938	/nfs/dbraw/zinc/14/09/38/620140938.db2.gz	JLDLGJUODMCJNX-UHFFFAOYSA-N	-1	0	272.226	2.854	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)N[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000929034647	620192444	/nfs/dbraw/zinc/19/24/44/620192444.db2.gz	QXEHIKNPQYPSSQ-ONGXEEELSA-N	-1	0	282.365	2.528	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@H]2CCCC3(CC3)C2)c1O	ZINC000899230168	620533457	/nfs/dbraw/zinc/53/34/57/620533457.db2.gz	FARFNGIFJXSOLY-VVSAQIQQSA-N	-1	0	274.364	2.730	20	30		CFEDRM
Cc1ncc(CO)c(/C=N\[C@@H]2CCCC3(CC3)C2)c1O	ZINC000899230166	620533520	/nfs/dbraw/zinc/53/35/20/620533520.db2.gz	FARFNGIFJXSOLY-ODGFMFMFSA-N	-1	0	274.364	2.730	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ncnc3sc(C)c(C)c32)c1=O	ZINC000899346212	620547377	/nfs/dbraw/zinc/54/73/77/620547377.db2.gz	GCRZZJLFAVEPRV-NSHDSACASA-N	-1	0	298.371	2.670	20	30		CFEDRM
CC1(C)CCC/C(=C/c2ccc(C(=O)[O-])nc2)C1=O	ZINC000899363188	620550764	/nfs/dbraw/zinc/55/07/64/620550764.db2.gz	HDJKRQAQVACAKM-FLIBITNWSA-N	-1	0	259.305	2.942	20	30		CFEDRM
Cc1[n-]n(C2CCC(F)(F)CC2)c(=O)c1CCC#N	ZINC000899366954	620555310	/nfs/dbraw/zinc/55/53/10/620555310.db2.gz	TUXHJCLWMNSWSJ-NSHDSACASA-N	-1	0	269.295	2.702	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1	ZINC000899854297	620606677	/nfs/dbraw/zinc/60/66/77/620606677.db2.gz	IKCUDWMESMWWCD-OLZOCXBDSA-N	-1	0	259.305	2.769	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CC3(CC3)C2)ccc1C(=O)[O-]	ZINC000901478622	620826618	/nfs/dbraw/zinc/82/66/18/620826618.db2.gz	WYGGQWZRSVUDAR-UHFFFAOYSA-N	-1	0	284.315	2.716	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2c([O-])cccc2F)nn1	ZINC000901561135	620857448	/nfs/dbraw/zinc/85/74/48/620857448.db2.gz	OQTWFXLXHYKKMJ-BQYQJAHWSA-N	-1	0	289.310	2.774	20	30		CFEDRM
C=CCCCCCNC(=O)c1coc(/C=C/C(=O)[O-])c1	ZINC000902021399	620960590	/nfs/dbraw/zinc/96/05/90/620960590.db2.gz	BCFKQKWBXYWXPI-BQYQJAHWSA-N	-1	0	277.320	2.854	20	30		CFEDRM
C#CC[N@@H+](CCC(C)(C)C(=O)[O-])Cc1ccc(F)cc1	ZINC000902187425	620991173	/nfs/dbraw/zinc/99/11/73/620991173.db2.gz	FRCXIWWUNZRCOF-UHFFFAOYSA-N	-1	0	277.339	2.762	20	30		CFEDRM
N#CCCc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1	ZINC000902840071	621189118	/nfs/dbraw/zinc/18/91/18/621189118.db2.gz	XOWHUEOTXPDSPC-QGZVFWFLSA-N	-1	0	298.342	2.892	20	30		CFEDRM
C=CCCC[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1	ZINC000903957166	621478649	/nfs/dbraw/zinc/47/86/49/621478649.db2.gz	LXTWHDVQJLUXQJ-UHFFFAOYSA-N	-1	0	261.321	2.545	20	30		CFEDRM
C[C@H](Nc1ccc(OC(C)(C)C)c(C#N)c1)C(=O)[O-]	ZINC000904244407	621555499	/nfs/dbraw/zinc/55/54/99/621555499.db2.gz	NRVDSUKTEAYPOU-VIFPVBQESA-N	-1	0	262.309	2.621	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1nc(C)c(C)s1)C(=O)[O-]	ZINC000905015128	621681768	/nfs/dbraw/zinc/68/17/68/621681768.db2.gz	DWOCQGNRAGPSIO-SNVBAGLBSA-N	-1	0	297.380	2.691	20	30		CFEDRM
C=CCC[C@@H](C)Nc1ccc2cnn(CC(=O)[O-])c2c1	ZINC000905754687	621850251	/nfs/dbraw/zinc/85/02/51/621850251.db2.gz	PZFWVMZHMKWWPS-LLVKDONJSA-N	-1	0	273.336	2.888	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832911924	625537850	/nfs/dbraw/zinc/53/78/50/625537850.db2.gz	RYSMYAVZZFVECI-VQHVLOKHSA-N	-1	0	255.273	2.917	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000907143651	622090777	/nfs/dbraw/zinc/09/07/77/622090777.db2.gz	CPUINWCIYNKDCG-ZANVPECISA-N	-1	0	281.739	2.965	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000907232344	622101677	/nfs/dbraw/zinc/10/16/77/622101677.db2.gz	ABOYZGFNMGCLKO-WFASDCNBSA-N	-1	0	289.331	2.515	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCCC(F)(F)F)CC2CCC1CC2	ZINC000907542759	622134018	/nfs/dbraw/zinc/13/40/18/622134018.db2.gz	FGAYDVSMOYIAKF-CBINBANVSA-N	-1	0	290.285	2.707	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000907548679	622135681	/nfs/dbraw/zinc/13/56/81/622135681.db2.gz	BEXJAIRWIJUJBY-MNOVXSKESA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907563941	622137197	/nfs/dbraw/zinc/13/71/97/622137197.db2.gz	JNCFZQKGUMUYCK-YOEHRIQHSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccccc1CC(=O)[O-]	ZINC000907586138	622139804	/nfs/dbraw/zinc/13/98/04/622139804.db2.gz	WZNODQFZVXFBMM-LLVKDONJSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000907585042	622139876	/nfs/dbraw/zinc/13/98/76/622139876.db2.gz	NQSBFSAZOVAYNT-ZDUSSCGKSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC1(CC(=O)N(C)C[C@@H](C)C(=O)[O-])CCCCC1	ZINC000907586797	622140301	/nfs/dbraw/zinc/14/03/01/622140301.db2.gz	SUNPTHQSDOEIEW-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000907720219	622156150	/nfs/dbraw/zinc/15/61/50/622156150.db2.gz	VWAHBKCBMGMANY-NSHDSACASA-N	-1	0	273.332	2.829	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000907720163	622156296	/nfs/dbraw/zinc/15/62/96/622156296.db2.gz	ZOFMCXCQRVWGNU-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000907780394	622162904	/nfs/dbraw/zinc/16/29/04/622162904.db2.gz	DKFPODSOBIHXQR-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000907853281	622166873	/nfs/dbraw/zinc/16/68/73/622166873.db2.gz	JQENVCACSGKSKM-DOMZBBRYSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C	ZINC000908028155	622187219	/nfs/dbraw/zinc/18/72/19/622187219.db2.gz	NMFIIZNWBSKMRZ-LBPRGKRZSA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1	ZINC000908235755	622206438	/nfs/dbraw/zinc/20/64/38/622206438.db2.gz	QLEQAZIYOHLCMJ-PBHICJAKSA-N	-1	0	289.375	2.791	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)C(F)(F)c1ccccc1C#N	ZINC000908347810	622218790	/nfs/dbraw/zinc/21/87/90/622218790.db2.gz	MBJNNGDURVQEPY-SNVBAGLBSA-N	-1	0	282.290	2.744	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCCC2CC2)CC2CCC1CC2	ZINC000908383546	622224472	/nfs/dbraw/zinc/22/44/72/622224472.db2.gz	RTKHCRBPCYSMIS-PIMMBPRGSA-N	-1	0	262.353	2.554	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccccc1CCC(=O)[O-]	ZINC000908691228	622261098	/nfs/dbraw/zinc/26/10/98/622261098.db2.gz	QMBCTCLZUODNGH-UHFFFAOYSA-N	-1	0	273.332	2.518	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N(CC)CC(=O)[O-]	ZINC000908951496	622289189	/nfs/dbraw/zinc/28/91/89/622289189.db2.gz	TWTNJWPFVMVVRQ-UHFFFAOYSA-N	-1	0	279.361	2.511	20	30		CFEDRM
C=CCCCNC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000909122574	622315371	/nfs/dbraw/zinc/31/53/71/622315371.db2.gz	ABQKDVBFPMAGJE-ZDUSSCGKSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCCCNC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909123171	622315394	/nfs/dbraw/zinc/31/53/94/622315394.db2.gz	OXJMKRIYXGINNJ-ZDUSSCGKSA-N	-1	0	294.326	2.525	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000909125053	622315904	/nfs/dbraw/zinc/31/59/04/622315904.db2.gz	GCGAUULFYGDOOM-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909134870	622320594	/nfs/dbraw/zinc/32/05/94/622320594.db2.gz	YIHFUZLAEXORTL-UHFFFAOYSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000909294251	622336092	/nfs/dbraw/zinc/33/60/92/622336092.db2.gz	JFBZPCDLRNRARB-MRXNPFEDSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=CC[C@H](C(=O)NCC(C)(C)C(=O)[O-])c1ccccc1	ZINC000909277612	622337555	/nfs/dbraw/zinc/33/75/55/622337555.db2.gz	JTGDWNSSVSFORV-ZDUSSCGKSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000909693289	622345923	/nfs/dbraw/zinc/34/59/23/622345923.db2.gz	HVSYAJABPVYJTE-HNNXBMFYSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909848357	622356830	/nfs/dbraw/zinc/35/68/30/622356830.db2.gz	QIXUHWSHOVBHIZ-CYBMUJFWSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000909951579	622375674	/nfs/dbraw/zinc/37/56/74/622375674.db2.gz	RULZHZPHCPASBC-LLVKDONJSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000909986726	622380763	/nfs/dbraw/zinc/38/07/63/622380763.db2.gz	ABKXAOITFFRZSS-UHFFFAOYSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)[C@H](CC)C(=O)[O-])CCCC1(C)C	ZINC000910024740	622387448	/nfs/dbraw/zinc/38/74/48/622387448.db2.gz	ZILAANKLZHNZJP-RYUDHWBXSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C#CC[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-]	ZINC000910053673	622392625	/nfs/dbraw/zinc/39/26/25/622392625.db2.gz	YQFIWWSYVTXREL-LBPRGKRZSA-N	-1	0	299.326	2.564	20	30		CFEDRM
C#CC[C@H](NC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-]	ZINC000910051509	622392709	/nfs/dbraw/zinc/39/27/09/622392709.db2.gz	WSFDFTSTTYMYFH-HNNXBMFYSA-N	-1	0	285.343	2.551	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910054035	622392819	/nfs/dbraw/zinc/39/28/19/622392819.db2.gz	HRZJLKNINQYJCI-PMPSAXMXSA-N	-1	0	299.370	2.506	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F	ZINC000910042366	622395857	/nfs/dbraw/zinc/39/58/57/622395857.db2.gz	LFNKOCIFXYFEPB-UHFFFAOYSA-N	-1	0	297.257	2.728	20	30		CFEDRM
C#CC[C@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-]	ZINC000910050090	622396575	/nfs/dbraw/zinc/39/65/75/622396575.db2.gz	FEJYSNDODXPHRU-ZDUSSCGKSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910045756	622396682	/nfs/dbraw/zinc/39/66/82/622396682.db2.gz	GNFIEXJNFXBUQV-YERXGYGTSA-N	-1	0	299.370	2.806	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H](CC)CCCCCC)C(=O)[O-]	ZINC000910045767	622396769	/nfs/dbraw/zinc/39/67/69/622396769.db2.gz	GTGVCHKQFYYDLE-OLZOCXBDSA-N	-1	0	267.369	2.576	20	30		CFEDRM
C#CCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000910104803	622405746	/nfs/dbraw/zinc/40/57/46/622405746.db2.gz	ZUPWPJVKWYPNII-GJZGRUSLSA-N	-1	0	285.343	2.607	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000910201027	622409370	/nfs/dbraw/zinc/40/93/70/622409370.db2.gz	PLKGDTAZYTWZDD-CABCVRRESA-N	-1	0	285.343	2.636	20	30		CFEDRM
C#CCCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910232751	622414383	/nfs/dbraw/zinc/41/43/83/622414383.db2.gz	GEEXUZDWZREVFY-CQSZACIVSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)CC1	ZINC000910243928	622417810	/nfs/dbraw/zinc/41/78/10/622417810.db2.gz	GIBCJTATNBSAFV-ILXRZTDVSA-N	-1	0	291.391	2.835	20	30		CFEDRM
C=C1CCC(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)CC1	ZINC000910243931	622417817	/nfs/dbraw/zinc/41/78/17/622417817.db2.gz	GIBCJTATNBSAFV-QLFBSQMISA-N	-1	0	291.391	2.835	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C/C(=C/C)CC)C(=O)[O-]	ZINC000910267018	622421428	/nfs/dbraw/zinc/42/14/28/622421428.db2.gz	QCVOFTQXTGBJCQ-WQNGOALRSA-N	-1	0	271.744	2.611	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-]	ZINC000910269422	622421957	/nfs/dbraw/zinc/42/19/57/622421957.db2.gz	AZYFWMGZYPGEKC-RYUDHWBXSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1ccc(C)cc1Cl)C(=O)[O-]	ZINC000910291604	622430085	/nfs/dbraw/zinc/43/00/85/622430085.db2.gz	KFXIHGQICNEGPB-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1	ZINC000910368894	622436718	/nfs/dbraw/zinc/43/67/18/622436718.db2.gz	ZEECQSVFQGMCSW-OAHLLOKOSA-N	-1	0	287.359	2.821	20	30		CFEDRM
N#Cc1nc(N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)ccc1Cl	ZINC000910385328	622439567	/nfs/dbraw/zinc/43/95/67/622439567.db2.gz	JDRRNUAKZCZLFW-CDLYGTGVSA-N	-1	0	291.738	2.518	20	30		CFEDRM
N#Cc1ccc(NC[C@@H](C(=O)[O-])C2CCCCC2)cn1	ZINC000910479166	622450858	/nfs/dbraw/zinc/45/08/58/622450858.db2.gz	SIXHMEJKJUSEHR-CQSZACIVSA-N	-1	0	273.336	2.646	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC000910512166	622451659	/nfs/dbraw/zinc/45/16/59/622451659.db2.gz	WELHROWQKCCTHC-CYBMUJFWSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1	ZINC000910741083	622473118	/nfs/dbraw/zinc/47/31/18/622473118.db2.gz	OVQUMZSLYSHOBT-UHFFFAOYSA-N	-1	0	280.349	2.869	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1coc2ccccc21)C(=O)[O-]	ZINC000910914323	622486225	/nfs/dbraw/zinc/48/62/25/622486225.db2.gz	JEGZMQTVJGHPCD-CYBMUJFWSA-N	-1	0	287.315	2.972	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1sc(CC)nc1C)C(=O)[O-]	ZINC000910914948	622486332	/nfs/dbraw/zinc/48/63/32/622486332.db2.gz	QGUXIIRXRZWSAS-JTQLQIEISA-N	-1	0	296.392	2.553	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC(C)(C)C1CC1)C(=O)[O-]	ZINC000910915808	622486799	/nfs/dbraw/zinc/48/67/99/622486799.db2.gz	BAIVYVPVQXGUEX-GFCCVEGCSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1scnc1C(C)C)C(=O)[O-]	ZINC000910915748	622486812	/nfs/dbraw/zinc/48/68/12/622486812.db2.gz	AICYBXWRMJGESB-JTQLQIEISA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C(C)=C(/C)CC)C(=O)[O-]	ZINC000910916713	622486813	/nfs/dbraw/zinc/48/68/13/622486813.db2.gz	IOVOIRFPIRTJLH-NLYDNYMLSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](C)c1cccs1)C(=O)[O-]	ZINC000910915002	622486867	/nfs/dbraw/zinc/48/68/67/622486867.db2.gz	RPILWAPIAHXNNK-GHMZBOCLSA-N	-1	0	281.377	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccccc1C)C(=O)[O-]	ZINC000910915895	622486878	/nfs/dbraw/zinc/48/68/78/622486878.db2.gz	RJURUABGJFCUPI-CYBMUJFWSA-N	-1	0	261.321	2.534	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)[O-]	ZINC000910918446	622487261	/nfs/dbraw/zinc/48/72/61/622487261.db2.gz	LJVOTNRIHQJVNO-GCZGRYASSA-N	-1	0	273.332	2.626	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(C)cc(F)cc1C)C(=O)[O-]	ZINC000910921809	622487783	/nfs/dbraw/zinc/48/77/83/622487783.db2.gz	GIMXTZLXVKIOPP-CYBMUJFWSA-N	-1	0	293.338	2.982	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000910922701	622487785	/nfs/dbraw/zinc/48/77/85/622487785.db2.gz	MNPAYXSOJFLFCG-SECBINFHSA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC(C)(C)C=C)C(=O)[O-]	ZINC000910922860	622487787	/nfs/dbraw/zinc/48/77/87/622487787.db2.gz	NUAGWFOJFUWICT-NSHDSACASA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCC[C@H](OC)C1)C(=O)[O-]	ZINC000910921630	622487841	/nfs/dbraw/zinc/48/78/41/622487841.db2.gz	DFRJOOTVPNKGQG-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C)C(=O)[O-]	ZINC000910923634	622488430	/nfs/dbraw/zinc/48/84/30/622488430.db2.gz	USATYDKDWONBFW-UPJWGTAASA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(CF)cc1)C(=O)[O-]	ZINC000910927471	622488865	/nfs/dbraw/zinc/48/88/65/622488865.db2.gz	ZGROCDSUXBHTNW-ZDUSSCGKSA-N	-1	0	279.311	2.695	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000910926819	622488900	/nfs/dbraw/zinc/48/89/00/622488900.db2.gz	URBUIOUXAYHDKF-JSGCOSHPSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)[C@@H](CC)C(=O)[O-]	ZINC000911401968	622519707	/nfs/dbraw/zinc/51/97/07/622519707.db2.gz	RYPBUIASCFYZSE-GFCCVEGCSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1	ZINC000911408553	622520168	/nfs/dbraw/zinc/52/01/68/622520168.db2.gz	CNEDYJWGGLJTNH-JTQLQIEISA-N	-1	0	291.734	2.524	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1	ZINC000911446691	622521547	/nfs/dbraw/zinc/52/15/47/622521547.db2.gz	FHEFPXSXCAXJLT-OAHLLOKOSA-N	-1	0	293.363	2.995	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN1CCC[C@@](C)(C#N)C1	ZINC000833677998	625573552	/nfs/dbraw/zinc/57/35/52/625573552.db2.gz	HXKQPPBAROMMMQ-HNNXBMFYSA-N	-1	0	276.336	2.666	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H](C)c1ccncc1	ZINC000819819303	622564045	/nfs/dbraw/zinc/56/40/45/622564045.db2.gz	WMLGAHJIXKNLLM-GFCCVEGCSA-N	-1	0	275.352	2.753	20	30		CFEDRM
CC(C)C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])n1ccnc1	ZINC000821349180	622901781	/nfs/dbraw/zinc/90/17/81/622901781.db2.gz	MSRAQNPUCCMRFS-AWEZNQCLSA-N	-1	0	298.346	2.686	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2csc(C3CC3)n2)c1	ZINC000821349182	622902137	/nfs/dbraw/zinc/90/21/37/622902137.db2.gz	MTGNMRSVJKVLIR-UHFFFAOYSA-N	-1	0	299.355	2.779	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2cc(O)ccc2[O-])c1	ZINC000156646635	622952960	/nfs/dbraw/zinc/95/29/60/622952960.db2.gz	WHMMYODGOYEQQV-DUXPYHPUSA-N	-1	0	271.297	2.927	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Sc1ccc(F)cc1	ZINC000821891420	623002489	/nfs/dbraw/zinc/00/24/89/623002489.db2.gz	DCKCGDMECNZPGG-SECBINFHSA-N	-1	0	255.314	2.540	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Sc1ccc(F)cc1	ZINC000821891421	623002923	/nfs/dbraw/zinc/00/29/23/623002923.db2.gz	DCKCGDMECNZPGG-VIFPVBQESA-N	-1	0	255.314	2.540	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCSCC1	ZINC000822310547	623077720	/nfs/dbraw/zinc/07/77/20/623077720.db2.gz	QYWMJUOQGZXCPD-UHFFFAOYSA-N	-1	0	298.314	2.646	20	30		CFEDRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708583	623094166	/nfs/dbraw/zinc/09/41/66/623094166.db2.gz	BCXHWSGZOBKJHJ-UHFFFAOYSA-N	-1	0	281.358	2.636	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccs2)cc1	ZINC000046927337	623104414	/nfs/dbraw/zinc/10/44/14/623104414.db2.gz	GJFCKEHFDMKKKC-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC(C)C)c1	ZINC000046929204	623104485	/nfs/dbraw/zinc/10/44/85/623104485.db2.gz	HNGSHCPHOWQPIK-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccsc1	ZINC000046927951	623105058	/nfs/dbraw/zinc/10/50/58/623105058.db2.gz	NJUMTUXBUFCEEM-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
C=CCC[C@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000823368960	623300037	/nfs/dbraw/zinc/30/00/37/623300037.db2.gz	GYXBHTZUFGHDJR-YUZLPWPTSA-N	-1	0	265.353	2.659	20	30		CFEDRM
O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)Oc2ccccc21	ZINC000823504260	623336237	/nfs/dbraw/zinc/33/62/37/623336237.db2.gz	NWWBTPVYUJXJTG-SDQBBNPISA-N	-1	0	296.311	2.544	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000089963927	623479162	/nfs/dbraw/zinc/47/91/62/623479162.db2.gz	OHBBISRLQCQOLH-YHYXMXQVSA-N	-1	0	267.350	2.915	20	30		CFEDRM
CC(C)C[C@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000825416970	623689460	/nfs/dbraw/zinc/68/94/60/623689460.db2.gz	HUQJRZNOLAJXQN-SNVBAGLBSA-N	-1	0	289.360	2.785	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccn1C(C)C	ZINC000153199358	623888057	/nfs/dbraw/zinc/88/80/57/623888057.db2.gz	LIYWUTUPNSOHTR-ZDUSSCGKSA-N	-1	0	289.379	2.698	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H](C)C(F)(F)F	ZINC000834998236	623921334	/nfs/dbraw/zinc/92/13/34/623921334.db2.gz	DTEQRZVLSHRUMH-MRVPVSSYSA-N	-1	0	266.263	2.548	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000827044104	623929619	/nfs/dbraw/zinc/92/96/19/623929619.db2.gz	ARSUYGDZLDSCOI-VIFPVBQESA-N	-1	0	267.275	2.709	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000072595097	625691027	/nfs/dbraw/zinc/69/10/27/625691027.db2.gz	RANHJOGOOZWVMY-SNVBAGLBSA-N	-1	0	297.376	2.971	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)C(=O)NC(C)C)c2ccccc21	ZINC000193484396	624025170	/nfs/dbraw/zinc/02/51/70/624025170.db2.gz	DQLJGAAMIXYJDG-CYBMUJFWSA-N	-1	0	297.358	2.508	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cccc(Br)c2[O-])C1	ZINC000827650338	624051448	/nfs/dbraw/zinc/05/14/48/624051448.db2.gz	OXNUWGQMROMARV-CYBMUJFWSA-N	-1	0	295.180	2.890	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000827650835	624051540	/nfs/dbraw/zinc/05/15/40/624051540.db2.gz	VYQIKOQCNURHPF-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(O)c2)c1	ZINC000916156562	624226269	/nfs/dbraw/zinc/22/62/69/624226269.db2.gz	DQDVSXQQZGLDTF-FPLPWBNLSA-N	-1	0	298.294	2.752	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1	ZINC000916155409	624226373	/nfs/dbraw/zinc/22/63/73/624226373.db2.gz	DBMVNCRZAURONB-TWGQIWQCSA-N	-1	0	298.294	2.752	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(O)c1	ZINC000916240373	624230059	/nfs/dbraw/zinc/23/00/59/624230059.db2.gz	AJBDKSWOBFKHAF-UHFFFAOYSA-N	-1	0	270.288	2.927	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cccc(O)c2)c1	ZINC000916255155	624230848	/nfs/dbraw/zinc/23/08/48/624230848.db2.gz	GAHJJFAAYFKJSL-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
CC(C)=CCCC(C)C=CN=Nc1nnc(C)c(=O)[n-]1	ZINC000916282447	624235997	/nfs/dbraw/zinc/23/59/97/624235997.db2.gz	GTZAIYPVMPADTM-PUNNCJRTSA-N	-1	0	275.356	2.976	20	30		CFEDRM
Cn1c(Cl)cnc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000916662568	624271848	/nfs/dbraw/zinc/27/18/48/624271848.db2.gz	ADJMFLWLNXUPCW-PLNGDYQASA-N	-1	0	280.686	2.814	20	30		CFEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000916892285	624291013	/nfs/dbraw/zinc/29/10/13/624291013.db2.gz	DLJMCHVNLYZFGP-HNNXBMFYSA-N	-1	0	284.359	2.766	20	30		CFEDRM
Cc1nc(SCC2(C#N)CCCC2)[nH]c(=O)c1C	ZINC000917419920	624341754	/nfs/dbraw/zinc/34/17/54/624341754.db2.gz	ZGBKZNXHBBZFTP-UHFFFAOYSA-N	-1	0	263.366	2.975	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)n(C)n1	ZINC000917516795	624350979	/nfs/dbraw/zinc/35/09/79/624350979.db2.gz	FTWSSQRUMJAMAS-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
Cc1ncc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000917542495	624352461	/nfs/dbraw/zinc/35/24/61/624352461.db2.gz	FODRIFILQSSRGC-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1ncccc1Cl	ZINC000917546728	624353263	/nfs/dbraw/zinc/35/32/63/624353263.db2.gz	VOXHTSMKLWYQSF-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2sccc2s1	ZINC000918486475	624440186	/nfs/dbraw/zinc/44/01/86/624440186.db2.gz	IKWUXZKIFFZRKJ-QMMMGPOBSA-N	-1	0	290.369	2.587	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000829736002	624517255	/nfs/dbraw/zinc/51/72/55/624517255.db2.gz	LENRLCXDXYDLSP-NSHDSACASA-N	-1	0	289.360	2.785	20	30		CFEDRM
CCC/C=C/C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919241718	624545475	/nfs/dbraw/zinc/54/54/75/624545475.db2.gz	CWTKIEIXVZMMGU-QRGHLMKCSA-N	-1	0	292.360	2.527	20	30		CFEDRM
CCCCCCCS(=O)(=O)N[C@@](C)(CC)CC(=O)[O-]	ZINC000829833841	624561007	/nfs/dbraw/zinc/56/10/07/624561007.db2.gz	FSCXODBEAOGETG-ZDUSSCGKSA-N	-1	0	293.429	2.520	20	30		CFEDRM
Cn1c(Cl)cnc1/C=C\C(=O)c1ccccc1[O-]	ZINC000033892665	624667960	/nfs/dbraw/zinc/66/79/60/624667960.db2.gz	QBBFQBPTZNVWQY-SREVYHEPSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1cccc2[nH]cc(C=NNc3[n-]cnc4ncnc3-4)c21	ZINC000920373278	624716127	/nfs/dbraw/zinc/71/61/27/624716127.db2.gz	CIWMVLYOQCZKQD-UHFFFAOYSA-N	-1	0	291.318	2.589	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2cccc(F)c2)ccc1[O-]	ZINC000920384613	624716972	/nfs/dbraw/zinc/71/69/72/624716972.db2.gz	ZEHMWFRUOBWJMO-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1cccs1	ZINC000069574770	625163693	/nfs/dbraw/zinc/16/36/93/625163693.db2.gz	YGOBNUGTNXNRHF-UHFFFAOYSA-N	-1	0	275.395	2.767	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832157057	625233429	/nfs/dbraw/zinc/23/34/29/625233429.db2.gz	KZLFXTZOMWTLRY-WEVVVXLNSA-N	-1	0	271.272	2.618	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000832213972	625244665	/nfs/dbraw/zinc/24/46/65/625244665.db2.gz	WROCUBNCIBYSJW-VIFPVBQESA-N	-1	0	275.333	2.539	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2Cc3ccccc3C2)c1	ZINC000185553605	625742795	/nfs/dbraw/zinc/74/27/95/625742795.db2.gz	LZJXKBZLOHUNDO-LICLKQGHSA-N	-1	0	282.299	2.887	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000851624045	634461269	/nfs/dbraw/zinc/46/12/69/634461269.db2.gz	YLLDNRIQLIIZOV-KRYZUYOTSA-N	-1	0	287.315	2.701	20	30		CFEDRM
CC(C)CC(=NNCC(=O)[O-])c1ccc(Cl)cc1	ZINC000814959096	625929333	/nfs/dbraw/zinc/92/93/33/625929333.db2.gz	MINDMCFQESVDLV-UHFFFAOYSA-N	-1	0	268.744	2.764	20	30		CFEDRM
CC[C@@H](NN=Cc1cc2ccccc2cc1OC)C(=O)[O-]	ZINC000834980964	625944389	/nfs/dbraw/zinc/94/43/89/625944389.db2.gz	FOUPMYJQNADJLR-CQSZACIVSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CCOC1CC(CN=Nc2ccc(C(=O)[O-])c(F)c2)C1	ZINC000835009416	625956271	/nfs/dbraw/zinc/95/62/71/625956271.db2.gz	SIZXUZJOOAXNIX-UHFFFAOYSA-N	-1	0	280.299	2.737	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1F	ZINC000835010666	625957065	/nfs/dbraw/zinc/95/70/65/625957065.db2.gz	GZLWHVOUULIUEX-QWRGUYRKSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC1(C#N)CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1	ZINC000835010002	625957263	/nfs/dbraw/zinc/95/72/63/625957263.db2.gz	KMIFTKGTPSLPDH-UHFFFAOYSA-N	-1	0	272.308	2.652	20	30		CFEDRM
CSC(C)(C)CCN=Nc1ccc(C(=O)[O-])nc1	ZINC000835009814	625957268	/nfs/dbraw/zinc/95/72/68/625957268.db2.gz	DGOLFLSGCJNNBL-UHFFFAOYSA-N	-1	0	267.354	2.709	20	30		CFEDRM
C[C@@H]1CSCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009691	625957294	/nfs/dbraw/zinc/95/72/94/625957294.db2.gz	YMLPKTOSPSWITQ-SSDOTTSWSA-N	-1	0	268.313	2.675	20	30		CFEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])nc1	ZINC000835010072	625957339	/nfs/dbraw/zinc/95/73/39/625957339.db2.gz	NBCFKJZAOPRWMN-UHFFFAOYSA-N	-1	0	261.203	2.520	20	30		CFEDRM
COCC(C)(C)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012351	625958779	/nfs/dbraw/zinc/95/87/79/625958779.db2.gz	PIIKVYKNNHTXBL-UHFFFAOYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
N#Cc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1	ZINC000255567838	626214732	/nfs/dbraw/zinc/21/47/32/626214732.db2.gz	DYIHIUJOGDZYGO-YVMONPNESA-N	-1	0	265.268	2.866	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)COC1CCCCC1	ZINC000073837427	626395778	/nfs/dbraw/zinc/39/57/78/626395778.db2.gz	OUDXWJOTNNCCRY-UHFFFAOYSA-N	-1	0	291.413	2.811	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H]1CC=CCC1)C(=O)[O-]	ZINC000923103750	626450565	/nfs/dbraw/zinc/45/05/65/626450565.db2.gz	HWAVVSODQAPCES-QWHCGFSZSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCOC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1	ZINC000923130981	626452368	/nfs/dbraw/zinc/45/23/68/626452368.db2.gz	DSTDGQKMSVYKDA-UHFFFAOYSA-N	-1	0	284.337	2.833	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923168866	626454522	/nfs/dbraw/zinc/45/45/22/626454522.db2.gz	VAGGTAZJSDDGQB-XJKSGUPXSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000756961832	626542825	/nfs/dbraw/zinc/54/28/25/626542825.db2.gz	LHZZVQBHTHNLPE-LBPRGKRZSA-N	-1	0	288.244	2.865	20	30		CFEDRM
N#CCOc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1	ZINC000757472572	626553072	/nfs/dbraw/zinc/55/30/72/626553072.db2.gz	OSTZKYPYOJZVSC-DAXSKMNVSA-N	-1	0	295.294	2.896	20	30		CFEDRM
Cc1nnc(N=NC[C@@H](C)CC2CCCCC2)[n-]c1=O	ZINC000758081300	626575974	/nfs/dbraw/zinc/57/59/74/626575974.db2.gz	QTEUVQVTODMSKS-JTQLQIEISA-N	-1	0	277.372	2.890	20	30		CFEDRM
CC1(CN=Nc2ccccc2C(=O)[O-])CCOCC1	ZINC000758097829	626576257	/nfs/dbraw/zinc/57/62/57/626576257.db2.gz	XAGXZHNHQIZEOU-UHFFFAOYSA-N	-1	0	262.309	2.599	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccsc2)c1	ZINC000759712872	626686219	/nfs/dbraw/zinc/68/62/19/626686219.db2.gz	BAKCZYVYUSYZGN-RQOWECAXSA-N	-1	0	270.313	2.977	20	30		CFEDRM
CC(=O)CCC(C)(C)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000759713678	626686631	/nfs/dbraw/zinc/68/66/31/626686631.db2.gz	POKBXUKFSYJXKT-UHFFFAOYSA-N	-1	0	274.320	2.598	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C(F)(F)F	ZINC000761829006	626861896	/nfs/dbraw/zinc/86/18/96/626861896.db2.gz	YDRKRYJSMZKCBY-UHFFFAOYSA-N	-1	0	276.214	2.744	20	30		CFEDRM
Cn1cc(NN=Cc2cc(Cl)c([O-])cc2Cl)cn1	ZINC000761866254	626867190	/nfs/dbraw/zinc/86/71/90/626867190.db2.gz	QSWRMYDATIMQPV-UHFFFAOYSA-N	-1	0	285.134	2.879	20	30		CFEDRM
COc1cc(F)ccc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000761884828	626870209	/nfs/dbraw/zinc/87/02/09/626870209.db2.gz	LQQYMOQELNUUDG-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
CCC1(CC)C(=NNc2cnnc([O-])c2Cl)C[C@H]1OC	ZINC000762604671	626926012	/nfs/dbraw/zinc/92/60/12/626926012.db2.gz	OXKVKDMNFIHKMR-SNVBAGLBSA-N	-1	0	298.774	2.829	20	30		CFEDRM
CC(Cc1ccsc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763368546	626983160	/nfs/dbraw/zinc/98/31/60/626983160.db2.gz	BBHCFJUXWWHQQD-UHFFFAOYSA-N	-1	0	275.333	2.872	20	30		CFEDRM
Cc1cccc(C)c1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763369543	626983588	/nfs/dbraw/zinc/98/35/88/626983588.db2.gz	HXIAPQMQYKOOPT-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCc3ccccc32)nc1	ZINC000763369996	626983656	/nfs/dbraw/zinc/98/36/56/626983656.db2.gz	KSRWTMAMZFGIIL-GFCCVEGCSA-N	-1	0	281.315	2.908	20	30		CFEDRM
COC(=O)c1coc(C(=O)/C=C/c2ccc(O)c(F)c2)c1	ZINC000766501329	627206414	/nfs/dbraw/zinc/20/64/14/627206414.db2.gz	FLXSTQPPTRUFHJ-HWKANZROSA-N	-1	0	290.246	2.807	20	30		CFEDRM
N#Cc1cccc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000767336517	627243929	/nfs/dbraw/zinc/24/39/29/627243929.db2.gz	PUMJIVPNNJDUMX-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cncs2)s1	ZINC000767722027	627279899	/nfs/dbraw/zinc/27/98/99/627279899.db2.gz	OAILRVHOCFYCRV-OWOJBTEDSA-N	-1	0	265.315	2.799	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C\c2cncs2)c1	ZINC000767718733	627280237	/nfs/dbraw/zinc/28/02/37/627280237.db2.gz	VHHUOQZESXLWTA-PLNGDYQASA-N	-1	0	289.312	2.503	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc2ccsc21	ZINC000767957645	627298352	/nfs/dbraw/zinc/29/83/52/627298352.db2.gz	DBLRTQQWFSKYDY-GFCCVEGCSA-N	-1	0	284.340	2.526	20	30		CFEDRM
C=CCN(C(=O)c1c([O-])cc(F)cc1F)C(C)C	ZINC000769762683	627472622	/nfs/dbraw/zinc/47/26/22/627472622.db2.gz	KNCMQRAMGJFZEN-UHFFFAOYSA-N	-1	0	255.264	2.707	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CC[C@@H]2c2ccccc2)n1	ZINC000769766797	627473123	/nfs/dbraw/zinc/47/31/23/627473123.db2.gz	QVXOGAPPADQPKZ-GFCCVEGCSA-N	-1	0	268.320	2.836	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccc3c(c2)COC3)c1	ZINC000769773769	627473173	/nfs/dbraw/zinc/47/31/73/627473173.db2.gz	KGKKUJDKZBBVHZ-IUXPMGMMSA-N	-1	0	298.298	2.950	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cscc2Cl)C(=O)O1	ZINC000771845247	627636519	/nfs/dbraw/zinc/63/65/19/627636519.db2.gz	JSXPSJSUTGABHE-DLGQBQFBSA-N	-1	0	296.731	2.630	20	30		CFEDRM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1sccc1[O-]	ZINC000773148791	627788665	/nfs/dbraw/zinc/78/86/65/627788665.db2.gz	HYOPDJGEGSGRJQ-ZZXKWVIFSA-N	-1	0	297.339	2.931	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(C(=O)[O-])cs1	ZINC000773159326	627790250	/nfs/dbraw/zinc/79/02/50/627790250.db2.gz	HGAJGJHCUFHVNZ-XGICHPGQSA-N	-1	0	296.307	2.811	20	30		CFEDRM
CO/C(=C/c1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000774083581	627885804	/nfs/dbraw/zinc/88/58/04/627885804.db2.gz	ZJOCMWUZXLCRRM-MHWRWJLKSA-N	-1	0	294.310	2.890	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000774215157	627904502	/nfs/dbraw/zinc/90/45/02/627904502.db2.gz	AJBBTJOVBPQBQT-GFCCVEGCSA-N	-1	0	295.383	2.842	20	30		CFEDRM
O=C([O-])c1ccc2c(C=NOC3CCCC3)[nH]nc2c1	ZINC000774596320	627940479	/nfs/dbraw/zinc/94/04/79/627940479.db2.gz	CLFRUAOWLNZBHI-UHFFFAOYSA-N	-1	0	273.292	2.554	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1c(F)cc([O-])cc1F	ZINC000776384456	628140129	/nfs/dbraw/zinc/14/01/29/628140129.db2.gz	CKALPDNOKDXWDY-UHFFFAOYSA-N	-1	0	269.247	2.767	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1	ZINC000776646301	628166436	/nfs/dbraw/zinc/16/64/36/628166436.db2.gz	JGDRKJZTAWZSBO-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
Cc1ccncc1CCCN=Nc1ccc(C(=O)[O-])cn1	ZINC000776725545	628171483	/nfs/dbraw/zinc/17/14/83/628171483.db2.gz	BATOTTYQPDVWQJ-UHFFFAOYSA-N	-1	0	284.319	2.514	20	30		CFEDRM
CC(=NNC1CCCC1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776728500	628171666	/nfs/dbraw/zinc/17/16/66/628171666.db2.gz	FLJSOAUDRWZOOY-UHFFFAOYSA-N	-1	0	275.352	2.653	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)C1CCSCC1	ZINC000777442856	628226420	/nfs/dbraw/zinc/22/64/20/628226420.db2.gz	FODRAXVNMUQPCH-UHFFFAOYSA-N	-1	0	279.365	2.711	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000777444254	628226563	/nfs/dbraw/zinc/22/65/63/628226563.db2.gz	ZBDCDUWOQBIGBQ-UHFFFAOYSA-N	-1	0	284.315	2.523	20	30		CFEDRM
O=C([O-])c1cc(C=NOCc2ccc(F)cc2)ccc1O	ZINC000777446541	628226594	/nfs/dbraw/zinc/22/65/94/628226594.db2.gz	NCQMMYSANRVMRK-UHFFFAOYSA-N	-1	0	289.262	2.780	20	30		CFEDRM
O=C([O-])COc1cccc(C=NOC2CCCCC2)c1	ZINC000777458972	628228062	/nfs/dbraw/zinc/22/80/62/628228062.db2.gz	MRAVEZIVTBJCLA-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOC1	ZINC000779708717	628394750	/nfs/dbraw/zinc/39/47/50/628394750.db2.gz	YJHGEKODJMVSTN-BHPMVAPWSA-N	-1	0	278.308	2.534	20	30		CFEDRM
COc1cccc(NN=Cc2cc(F)c([O-])c(F)c2)n1	ZINC000779820955	628411212	/nfs/dbraw/zinc/41/12/12/628411212.db2.gz	PYQHVFBEYSVEDO-UHFFFAOYSA-N	-1	0	279.246	2.520	20	30		CFEDRM
CC[C@@H]1C[C@@H](CC(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000782023582	628598040	/nfs/dbraw/zinc/59/80/40/628598040.db2.gz	IBEFCIAGXHOXIJ-WCQYABFASA-N	-1	0	288.347	2.798	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@]1(C)CCCO1	ZINC000782109813	628604886	/nfs/dbraw/zinc/60/48/86/628604886.db2.gz	ANYGQQAEEUOBBR-AWEZNQCLSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cc(O)cc(O)c2)c1	ZINC000782207847	628614666	/nfs/dbraw/zinc/61/46/66/628614666.db2.gz	STVUDFDTEOXCQD-OWOJBTEDSA-N	-1	0	290.296	2.754	20	30		CFEDRM
O=C([O-])c1csc(/C=C/C(=O)c2cscn2)c1	ZINC000782208305	628614853	/nfs/dbraw/zinc/61/48/53/628614853.db2.gz	VYUHPVXEYVQDJW-OWOJBTEDSA-N	-1	0	265.315	2.799	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cscn2)c1	ZINC000782208306	628614992	/nfs/dbraw/zinc/61/49/92/628614992.db2.gz	VYUHPVXEYVQDJW-UPHRSURJSA-N	-1	0	265.315	2.799	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000782287715	628624262	/nfs/dbraw/zinc/62/42/62/628624262.db2.gz	NNZOQIMLQFAMPU-CYBMUJFWSA-N	-1	0	260.337	2.887	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1cccc(OCC(=O)[O-])c1	ZINC000782289824	628624734	/nfs/dbraw/zinc/62/47/34/628624734.db2.gz	XQJSVBVTYJGJNZ-CQSZACIVSA-N	-1	0	290.363	2.652	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000782303701	628626500	/nfs/dbraw/zinc/62/65/00/628626500.db2.gz	YMVBUEHZKJYDMH-CYBMUJFWSA-N	-1	0	277.324	2.803	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC[C@H]2CCOC2)c1[O-]	ZINC000783686367	628734468	/nfs/dbraw/zinc/73/44/68/628734468.db2.gz	ZQAOCZSXKBPWEW-HXBVQPGFSA-N	-1	0	298.726	2.799	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2cnccn2)c(Cl)c1	ZINC000783708414	628737267	/nfs/dbraw/zinc/73/72/67/628737267.db2.gz	YJNLHOHQQWLULQ-ONEGZZNKSA-N	-1	0	288.690	2.724	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cncs2)c1	ZINC000787170478	628997648	/nfs/dbraw/zinc/99/76/48/628997648.db2.gz	WOZNBQIWTVVSQP-PLNGDYQASA-N	-1	0	259.286	2.737	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)F)c1c(Cl)cccc1Cl	ZINC000787331859	629007229	/nfs/dbraw/zinc/00/72/29/629007229.db2.gz	HNORDXLIAXSQFW-SSDOTTSWSA-N	-1	0	279.073	2.939	20	30		CFEDRM
CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cn[nH]c1	ZINC000788939672	629109555	/nfs/dbraw/zinc/10/95/55/629109555.db2.gz	MAHMYFNRXMPIBG-UHFFFAOYSA-N	-1	0	292.726	2.988	20	30		CFEDRM
Cc1ccc2nc(/C=C/C(=O)c3ccc(O)cc3[O-])cn2c1	ZINC000789142806	629129301	/nfs/dbraw/zinc/12/93/01/629129301.db2.gz	MDEVINRUMBJCSM-ZZXKWVIFSA-N	-1	0	294.310	2.950	20	30		CFEDRM
C/C=C(/CC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000789226691	629137276	/nfs/dbraw/zinc/13/72/76/629137276.db2.gz	ICCPQQHORDCGFT-FGUAACIASA-N	-1	0	292.360	2.527	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2nc(Cl)cs2)c1	ZINC000790007273	629202986	/nfs/dbraw/zinc/20/29/86/629202986.db2.gz	PVCJOZRDQOXCRV-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
CC[C@@H](C)NN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000790182068	629216910	/nfs/dbraw/zinc/21/69/10/629216910.db2.gz	IHQIAOAPMZNAEB-MRVPVSSYSA-N	-1	0	254.717	2.760	20	30		CFEDRM
CCOc1nc(C)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000790822663	629266687	/nfs/dbraw/zinc/26/66/87/629266687.db2.gz	TVQCZCZMNFHCLH-UHFFFAOYSA-N	-1	0	297.314	2.618	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cs1	ZINC000835055863	629359729	/nfs/dbraw/zinc/35/97/29/629359729.db2.gz	ATJCXNJDURIETF-LLVKDONJSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CC[C@@H](NN=Cc1csc(-c2ccccc2)n1)C(=O)[O-]	ZINC000793057879	629481484	/nfs/dbraw/zinc/48/14/84/629481484.db2.gz	QXQLYFVFNCXRCL-GFCCVEGCSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CCCOc1ccc(C(C)=NN[C@@H](CC)C(=O)[O-])cc1	ZINC000793072400	629483059	/nfs/dbraw/zinc/48/30/59/629483059.db2.gz	SALIMFLJGMBRDO-AWEZNQCLSA-N	-1	0	278.352	2.652	20	30		CFEDRM
CC[C@H](NN=CC1CCC(C(C)C)CC1)C(=O)[O-]	ZINC000793073981	629483818	/nfs/dbraw/zinc/48/38/18/629483818.db2.gz	YPIAYIYCLBFHIE-BPCQOVAHSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@H](NN=C(C)Cc1nc2ccccc2s1)C(=O)[O-]	ZINC000793077173	629484415	/nfs/dbraw/zinc/48/44/15/629484415.db2.gz	BANWYBUOFWJFST-JTQLQIEISA-N	-1	0	291.376	2.668	20	30		CFEDRM
CC[C@@H](NN=C1CCOc2c1cccc2C(C)C)C(=O)[O-]	ZINC000793077185	629484594	/nfs/dbraw/zinc/48/45/94/629484594.db2.gz	BHHDPTNJBUBZNA-CYBMUJFWSA-N	-1	0	290.363	2.749	20	30		CFEDRM
C=CCC(NN=C(CC)C(=O)[O-])c1ccc(F)cc1	ZINC000793080520	629485012	/nfs/dbraw/zinc/48/50/12/629485012.db2.gz	BKODNDSWNICRAG-LBPRGKRZSA-N	-1	0	264.300	2.559	20	30		CFEDRM
CC[C@H](C)CON=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000793145381	629492565	/nfs/dbraw/zinc/49/25/65/629492565.db2.gz	IYKGMVCROUPOCG-RYUDHWBXSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000793158502	629494291	/nfs/dbraw/zinc/49/42/91/629494291.db2.gz	IABAZPRDLMUJKR-RYUDHWBXSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736102	629589683	/nfs/dbraw/zinc/58/96/83/629589683.db2.gz	VCQLMALGVUGMEV-WCQYABFASA-N	-1	0	290.363	2.780	20	30		CFEDRM
CCc1cccc(F)c1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000794523521	629653822	/nfs/dbraw/zinc/65/38/22/629653822.db2.gz	ILNFVEUIRLIGLF-UHFFFAOYSA-N	-1	0	287.294	2.927	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(N=Nc2ncccc2F)c2ccccc21	ZINC000794994161	629719724	/nfs/dbraw/zinc/71/97/24/629719724.db2.gz	UINCTSZAPSQPAN-GFCCVEGCSA-N	-1	0	299.305	2.999	20	30		CFEDRM
Cc1ccc2c(C([O-])=C(C#N)C(=O)NC3CC3)csc2c1	ZINC000796637970	629943949	/nfs/dbraw/zinc/94/39/49/629943949.db2.gz	YBIPGJNHXNVBPI-GFCCVEGCSA-N	-1	0	298.367	2.811	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000796691519	629951486	/nfs/dbraw/zinc/95/14/86/629951486.db2.gz	GXIORFVACUCCRT-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1coc2ccc(CC)cc12	ZINC000796798684	629969129	/nfs/dbraw/zinc/96/91/29/629969129.db2.gz	NLWRAUZOXPHTSI-CYBMUJFWSA-N	-1	0	296.326	2.620	20	30		CFEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(C(C)(C)CC)cc1	ZINC000835969155	630192707	/nfs/dbraw/zinc/19/27/07/630192707.db2.gz	BRCODBAEVPUQAC-UHFFFAOYSA-N	-1	0	290.363	2.547	20	30		CFEDRM
CCCc1occc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000798817393	630241385	/nfs/dbraw/zinc/24/13/85/630241385.db2.gz	YQDCKPPGKBZLII-CYBMUJFWSA-N	-1	0	288.347	2.613	20	30		CFEDRM
CCCc1occc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000798817394	630241472	/nfs/dbraw/zinc/24/14/72/630241472.db2.gz	YQDCKPPGKBZLII-ZDUSSCGKSA-N	-1	0	288.347	2.613	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C/c2cncs2)C(=O)c2ccccc21	ZINC000806561072	630812430	/nfs/dbraw/zinc/81/24/30/630812430.db2.gz	REVJTOLAYUEOMG-QGOGUYACSA-N	-1	0	285.324	2.981	20	30		CFEDRM
C=CCC[C@@H](C(=O)[N-]O[C@H](CO)C(C)C)c1ccccc1	ZINC000836894574	630910750	/nfs/dbraw/zinc/91/07/50/630910750.db2.gz	FLMWVJHSCFNEAN-HZPDHXFCSA-N	-1	0	291.391	2.801	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(C(F)(F)F)[nH]2)nc1	ZINC000807982058	630929688	/nfs/dbraw/zinc/92/96/88/630929688.db2.gz	PVCXNJXLUSJVLY-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
C=CCO[N-]C(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	ZINC000837044356	630943409	/nfs/dbraw/zinc/94/34/09/630943409.db2.gz	ZJIVUQAPJZKNLB-MGPQQGTHSA-N	-1	0	269.385	2.698	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccccc2Br)CC1	ZINC000837048031	630945880	/nfs/dbraw/zinc/94/58/80/630945880.db2.gz	JDHBNUQMUJZLKS-UHFFFAOYSA-N	-1	0	296.164	2.715	20	30		CFEDRM
CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1	ZINC000808070232	630947719	/nfs/dbraw/zinc/94/77/19/630947719.db2.gz	KZJFYPDRFHJRLB-UHFFFAOYSA-N	-1	0	290.344	2.905	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1ocnc1C1CC1	ZINC000808979015	631061643	/nfs/dbraw/zinc/06/16/43/631061643.db2.gz	DDJKPZSLRAUFIL-GFCCVEGCSA-N	-1	0	295.298	2.513	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837659993	631100220	/nfs/dbraw/zinc/10/02/20/631100220.db2.gz	ZZZGTJNSICSVOI-CQSZACIVSA-N	-1	0	279.292	2.946	20	30		CFEDRM
CCO[C@@H]1CCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840710129	631175729	/nfs/dbraw/zinc/17/57/29/631175729.db2.gz	OXIUQFPWOJUONF-NGVDKPIASA-N	-1	0	278.308	2.677	20	30		CFEDRM
Cc1cc(O)c(CN(C)C[C@@H](C)C#N)c(Cl)c1	ZINC000840911395	631260127	/nfs/dbraw/zinc/26/01/27/631260127.db2.gz	ZAEBRMJQEFUFBC-JTQLQIEISA-N	-1	0	252.745	2.946	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000042318130	649998068	/nfs/dbraw/zinc/99/80/68/649998068.db2.gz	SZPODMNAGZAZEJ-UHFFFAOYSA-N	-1	0	259.352	2.668	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(C)c1	ZINC000042343558	649998094	/nfs/dbraw/zinc/99/80/94/649998094.db2.gz	WCMXUFVASOFGMJ-GFCCVEGCSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1ccc(C(C)(C)C)c(Cl)c1	ZINC000810534503	631383154	/nfs/dbraw/zinc/38/31/54/631383154.db2.gz	UXYVYUVGKJOHIE-JTQLQIEISA-N	-1	0	292.766	2.706	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810531238	631383630	/nfs/dbraw/zinc/38/36/30/631383630.db2.gz	KUKOLODFIZNSBY-INIZCTEOSA-N	-1	0	296.370	2.969	20	30		CFEDRM
CCC(=NNc1cnnc([O-])c1Cl)[C@H]1C[C@@H]1C	ZINC000841617117	631432464	/nfs/dbraw/zinc/43/24/64/631432464.db2.gz	VMFKSXAGGHPRPV-BQBZGAKWSA-N	-1	0	254.721	2.670	20	30		CFEDRM
C=C[C@@H](CCC(=O)[O-])[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000841811876	631474553	/nfs/dbraw/zinc/47/45/53/631474553.db2.gz	PZTVRSNKEAHBBK-QMMMGPOBSA-N	-1	0	287.718	2.694	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCCCC)CC1	ZINC000810987034	631491379	/nfs/dbraw/zinc/49/13/79/631491379.db2.gz	VZLCYKAPGUSRRM-UHFFFAOYSA-N	-1	0	273.398	2.512	20	30		CFEDRM
CCOCCON=C1CCCCc2cc(C(=O)[O-])ccc21	ZINC000811648851	631592488	/nfs/dbraw/zinc/59/24/88/631592488.db2.gz	SBUUVMWSRGUDLY-UHFFFAOYSA-N	-1	0	291.347	2.868	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000811669132	631603904	/nfs/dbraw/zinc/60/39/04/631603904.db2.gz	MOVIBQFFWHDFPI-VHDODGMTSA-N	-1	0	270.672	2.794	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000811687672	631606276	/nfs/dbraw/zinc/60/62/76/631606276.db2.gz	HSENQRXDLXQDES-WAYWQWQTSA-N	-1	0	298.323	2.538	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc2n(n1)CCCC2	ZINC000842522651	631651674	/nfs/dbraw/zinc/65/16/74/631651674.db2.gz	NYKBVBYLKFKULY-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
C#CCON=C(C)c1cc(Br)c(F)cc1[O-]	ZINC000812232714	631669378	/nfs/dbraw/zinc/66/93/78/631669378.db2.gz	KTRNGVGSYPIYDP-UHFFFAOYSA-N	-1	0	286.100	2.668	20	30		CFEDRM
Cc1nnc(NN=Cc2ccc(C3CCCC3)cc2)[n-]c1=O	ZINC000812223726	631670748	/nfs/dbraw/zinc/67/07/48/631670748.db2.gz	JZLPFFWOHDBXCZ-UHFFFAOYSA-N	-1	0	297.362	2.989	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(F)cc1C	ZINC000155949848	650037918	/nfs/dbraw/zinc/03/79/18/650037918.db2.gz	SAEHMAZYLJDMCT-AWEZNQCLSA-N	-1	0	290.338	2.763	20	30		CFEDRM
CO[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])CC(C)C	ZINC000841481982	631922600	/nfs/dbraw/zinc/92/26/00/631922600.db2.gz	HRXXNIJOTHRJLZ-MGMWDDNKSA-N	-1	0	280.324	2.780	20	30		CFEDRM
O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc(F)cc1[O-]	ZINC000814190232	632028307	/nfs/dbraw/zinc/02/83/07/632028307.db2.gz	PXUXCASIAIMDCC-DAFODLJHSA-N	-1	0	296.248	2.889	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/C2CCCC2)c1	ZINC000843842155	632065943	/nfs/dbraw/zinc/06/59/43/632065943.db2.gz	GFVAUZLWTPALBQ-SOFGYWHQSA-N	-1	0	256.305	2.949	20	30		CFEDRM
CCc1nccn1[C@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000843844307	632066172	/nfs/dbraw/zinc/06/61/72/632066172.db2.gz	YVWYCKQKAKXJAC-LLVKDONJSA-N	-1	0	298.346	2.613	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000844003833	632093579	/nfs/dbraw/zinc/09/35/79/632093579.db2.gz	TZERWJPWPURKRU-LLVKDONJSA-N	-1	0	277.751	2.921	20	30		CFEDRM
CC(C)OC1CC(N=Nc2ccc(C(=O)[O-])cc2)C1	ZINC000814680182	632106746	/nfs/dbraw/zinc/10/67/46/632106746.db2.gz	DSONXDSQDWGZSH-UHFFFAOYSA-N	-1	0	262.309	2.740	20	30		CFEDRM
Cc1cc(C)nc(N=NCc2cc(C(=O)[O-])c(C)cc2C)n1	ZINC000814681283	632106934	/nfs/dbraw/zinc/10/69/34/632106934.db2.gz	FHKOEWWAZYYEPG-UHFFFAOYSA-N	-1	0	298.346	2.854	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000814682748	632107662	/nfs/dbraw/zinc/10/76/62/632107662.db2.gz	QJWAEKRXCHRTFU-UWVGGRQHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1CC(=O)[O-]	ZINC000814682011	632107734	/nfs/dbraw/zinc/10/77/34/632107734.db2.gz	FHIBWLIHKZWJLI-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C(N=Nc2ccccc2[N+](=O)[O-])CC[C@@H]1CC(=O)[O-]	ZINC000814685614	632108794	/nfs/dbraw/zinc/10/87/94/632108794.db2.gz	LETXYEJCHYEMHC-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H]1CC(=O)[O-]	ZINC000814694598	632109715	/nfs/dbraw/zinc/10/97/15/632109715.db2.gz	QVCZBLWLGFWQFU-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nncc2ccccc21	ZINC000814706408	632111572	/nfs/dbraw/zinc/11/15/72/632111572.db2.gz	ZJMGYRPYNHSGQZ-MNOVXSKESA-N	-1	0	298.346	2.919	20	30		CFEDRM
CCCNC(=S)NN=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814761532	632118911	/nfs/dbraw/zinc/11/89/11/632118911.db2.gz	NXVNXDQQHOPVOP-JTQLQIEISA-N	-1	0	287.429	2.518	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814763436	632119112	/nfs/dbraw/zinc/11/91/12/632119112.db2.gz	CNAJQFYUNKBUHB-QWRGUYRKSA-N	-1	0	299.440	2.518	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814764479	632119806	/nfs/dbraw/zinc/11/98/06/632119806.db2.gz	WJVLUDVKDIDJBV-WDEREUQCSA-N	-1	0	299.440	2.518	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1nc2c(s1)CCC2	ZINC000814768961	632120774	/nfs/dbraw/zinc/12/07/74/632120774.db2.gz	QIBVUWOQEWWSTL-UHFFFAOYSA-N	-1	0	287.344	2.776	20	30		CFEDRM
CSCCCCN=Nc1ccccc1C(=O)[O-]	ZINC000814769396	632120791	/nfs/dbraw/zinc/12/07/91/632120791.db2.gz	ZLVNFPIOEWGUDI-UHFFFAOYSA-N	-1	0	252.339	2.926	20	30		CFEDRM
CSCCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000814780738	632121799	/nfs/dbraw/zinc/12/17/99/632121799.db2.gz	HGMAXKDFCULRTH-UHFFFAOYSA-N	-1	0	293.417	2.662	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc(C#N)c2)CC[C@H]1CC(=O)[O-]	ZINC000814787333	632123585	/nfs/dbraw/zinc/12/35/85/632123585.db2.gz	YVESSKCNUGYCAC-PWSUYJOCSA-N	-1	0	271.320	2.847	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc(C#N)cc2)CC[C@H]1CC(=O)[O-]	ZINC000814803248	632127421	/nfs/dbraw/zinc/12/74/21/632127421.db2.gz	OIDDMTLOLYWSEN-JQWIXIFHSA-N	-1	0	271.320	2.847	20	30		CFEDRM
CCCCNN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814805800	632128250	/nfs/dbraw/zinc/12/82/50/632128250.db2.gz	NTAUILPIFXAZCR-UHFFFAOYSA-N	-1	0	260.337	2.549	20	30		CFEDRM
Cc1cc(N=NCc2cc(C(=O)[O-])c(C)cc2C)nc(C)n1	ZINC000814807009	632129076	/nfs/dbraw/zinc/12/90/76/632129076.db2.gz	BBTYJXCYQPNCDA-UHFFFAOYSA-N	-1	0	298.346	2.854	20	30		CFEDRM
COc1ccc(CNN=C2CC[C@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814810831	632129847	/nfs/dbraw/zinc/12/98/47/632129847.db2.gz	IQUAFQVPVPSERS-DGCLKSJQSA-N	-1	0	290.363	2.662	20	30		CFEDRM
C[C@H]1C(=NNCc2cc(F)ccc2F)CC[C@H]1CC(=O)[O-]	ZINC000814808715	632130172	/nfs/dbraw/zinc/13/01/72/632130172.db2.gz	GOOBSXZDTCVYHI-ZJUUUORDSA-N	-1	0	296.317	2.931	20	30		CFEDRM
c1cc2c(s1)CCCC2=NNc1ncnc2[nH]cnc21	ZINC000814814164	632130708	/nfs/dbraw/zinc/13/07/08/632130708.db2.gz	ZPIJNTAPOFQWRB-UHFFFAOYSA-N	-1	0	284.348	2.567	20	30		CFEDRM
Cc1ccc(N=NC(C)CCCCCCC(=O)[O-])nn1	ZINC000814841014	632136006	/nfs/dbraw/zinc/13/60/06/632136006.db2.gz	YCOKNNWHBXEBFK-UHFFFAOYSA-N	-1	0	278.356	2.998	20	30		CFEDRM
Cc1cc(N=NC(C)CCCCCCC(=O)[O-])ncn1	ZINC000814846055	632136852	/nfs/dbraw/zinc/13/68/52/632136852.db2.gz	FBDICLCZZPBJIG-UHFFFAOYSA-N	-1	0	278.356	2.998	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1	ZINC000814855804	632139705	/nfs/dbraw/zinc/13/97/05/632139705.db2.gz	UAVKJTXZUDKTHI-GMSGAONNSA-N	-1	0	296.758	2.727	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@@H](C(=O)[O-])C[C@H]2C)n1	ZINC000814855017	632139969	/nfs/dbraw/zinc/13/99/69/632139969.db2.gz	DBMBNMXSSZNOQB-VXNVDRBHSA-N	-1	0	296.758	2.727	20	30		CFEDRM
CCCCCCC[C@H](C)CNC(=O)C1(C(=O)[O-])CC1	ZINC000844248455	632145686	/nfs/dbraw/zinc/14/56/86/632145686.db2.gz	BNJPVPWKHVLXCL-LBPRGKRZSA-N	-1	0	269.385	2.964	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccc3n[nH]cc3c2)c1	ZINC000814900233	632155164	/nfs/dbraw/zinc/15/51/64/632155164.db2.gz	JPRHATCJDILYHB-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOCC(F)F	ZINC000814904011	632157330	/nfs/dbraw/zinc/15/73/30/632157330.db2.gz	MRCIUBCGROVWQP-UHFFFAOYSA-N	-1	0	257.236	2.617	20	30		CFEDRM
CC1(C)CCCC[C@@H]1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814917320	632163334	/nfs/dbraw/zinc/16/33/34/632163334.db2.gz	JXXVAMRSFUIKQK-LBPRGKRZSA-N	-1	0	263.341	2.605	20	30		CFEDRM
CC1(C)CCC[C@H]1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814917518	632163646	/nfs/dbraw/zinc/16/36/46/632163646.db2.gz	MNYZNWBGMMGOOI-CYBMUJFWSA-N	-1	0	260.337	2.887	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNCCc1ccccn1	ZINC000814924798	632167207	/nfs/dbraw/zinc/16/72/07/632167207.db2.gz	BUZGDHLKZGFEBS-UHFFFAOYSA-N	-1	0	297.358	2.563	20	30		CFEDRM
C=C(C)CNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814932410	632170168	/nfs/dbraw/zinc/17/01/68/632170168.db2.gz	FAEXJQYVGSNSQP-GHMZBOCLSA-N	-1	0	252.358	2.665	20	30		CFEDRM
COCCCON=Cc1ccc2ccccc2c1O	ZINC000814931308	632170176	/nfs/dbraw/zinc/17/01/76/632170176.db2.gz	PYJDRQRFKQZBTA-UHFFFAOYSA-N	-1	0	259.305	2.932	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NNCC2CCCC2)C1	ZINC000814933617	632171878	/nfs/dbraw/zinc/17/18/78/632171878.db2.gz	UMDYZHWYKPEABU-UHFFFAOYSA-N	-1	0	286.375	2.939	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NOC/C=C\Cl)C1	ZINC000814934765	632172555	/nfs/dbraw/zinc/17/25/55/632172555.db2.gz	YPCPQXWZAQQGDB-GFBOTKLASA-N	-1	0	279.723	2.928	20	30		CFEDRM
CC(=NNC[C@@H]1CCSC1)c1csc(C(=O)[O-])c1	ZINC000814935420	632172728	/nfs/dbraw/zinc/17/27/28/632172728.db2.gz	MZTMQYLWZHZELO-VIFPVBQESA-N	-1	0	284.406	2.513	20	30		CFEDRM
CC(C)OCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814936707	632173432	/nfs/dbraw/zinc/17/34/32/632173432.db2.gz	GOLINGYGFVBMTG-NEPJUHHUSA-N	-1	0	285.384	2.941	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](Cc2ccccc2)C1)C(=O)[O-]	ZINC000814936999	632174342	/nfs/dbraw/zinc/17/43/42/632174342.db2.gz	QOCAYSFKHMHZIQ-HIFRSBDPSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CCC(CSc1ccc(Cl)cc1)=NNCC(=O)[O-]	ZINC000814956520	632178817	/nfs/dbraw/zinc/17/88/17/632178817.db2.gz	BRHBEAOPPGVXSJ-UHFFFAOYSA-N	-1	0	286.784	2.872	20	30		CFEDRM
O=C([O-])CNN=C(CC(F)(F)F)c1ccc(Cl)cc1	ZINC000814957239	632179041	/nfs/dbraw/zinc/17/90/41/632179041.db2.gz	XKIOOWXMVWDMEK-UHFFFAOYSA-N	-1	0	294.660	2.671	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(F)c(-c2cccs2)c1	ZINC000814958843	632180067	/nfs/dbraw/zinc/18/00/67/632180067.db2.gz	WKNQZWAGYTWRKA-UHFFFAOYSA-N	-1	0	278.308	2.562	20	30		CFEDRM
CCC(=NNC[C@H](C)O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000814963700	632181270	/nfs/dbraw/zinc/18/12/70/632181270.db2.gz	OXPMBARKZMRJEB-ZETCQYMHSA-N	-1	0	291.178	2.784	20	30		CFEDRM
COCC(CC(C)(C)C)N=Nc1ccc(C(=O)[O-])nc1	ZINC000844600247	632260408	/nfs/dbraw/zinc/26/04/08/632260408.db2.gz	HZPIVZZWELPIFO-UHFFFAOYSA-N	-1	0	279.340	2.630	20	30		CFEDRM
C=C[C@H](C)ON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000844620429	632265348	/nfs/dbraw/zinc/26/53/48/632265348.db2.gz	KUCGDWMRJGXPOZ-VPHXOMNUSA-N	-1	0	259.305	2.750	20	30		CFEDRM
Cc1c(NN=C2C[C@@H](C)n3ccnc32)cccc1C(=O)[O-]	ZINC000844623340	632266683	/nfs/dbraw/zinc/26/66/83/632266683.db2.gz	MIIWUOHMVHOAAI-SECBINFHSA-N	-1	0	284.319	2.671	20	30		CFEDRM
Cc1c(N=NC2CO[C@H](C)[C@@H]2C)cccc1C(=O)[O-]	ZINC000844622513	632266817	/nfs/dbraw/zinc/26/68/17/632266817.db2.gz	FDVZCGRXJXTSES-WCBMZHEXSA-N	-1	0	262.309	2.516	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)CC1	ZINC000816089327	632370266	/nfs/dbraw/zinc/37/02/66/632370266.db2.gz	RLVZZLKCNWIHHG-UHFFFAOYSA-N	-1	0	287.425	2.613	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000816977666	632542607	/nfs/dbraw/zinc/54/26/07/632542607.db2.gz	FKVRVPVROKFXKQ-GFCCVEGCSA-N	-1	0	272.348	2.684	20	30		CFEDRM
Cc1ocnc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000845837323	632577841	/nfs/dbraw/zinc/57/78/41/632577841.db2.gz	HKYQYDNTRIQOPO-CYBMUJFWSA-N	-1	0	294.310	2.606	20	30		CFEDRM
C=C(C)CC[C@@H](C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000845866882	632586553	/nfs/dbraw/zinc/58/65/53/632586553.db2.gz	QHLJBSQCXREKNG-SECBINFHSA-N	-1	0	295.301	2.732	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc2c(s1)CCC2(C)C	ZINC000817392134	632620084	/nfs/dbraw/zinc/62/00/84/632620084.db2.gz	JKHZKCHYWUWDAS-UHFFFAOYSA-N	-1	0	298.433	2.522	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)c1ccc(Cl)cc1	ZINC000846119249	632639099	/nfs/dbraw/zinc/63/90/99/632639099.db2.gz	ZDRJRODORQHDDA-SNVBAGLBSA-N	-1	0	281.739	2.543	20	30		CFEDRM
C=CCN(CCO[C@@H](CC)c1ccccc1)CC(=O)[O-]	ZINC000846262724	632676931	/nfs/dbraw/zinc/67/69/31/632676931.db2.gz	JNMQBZHGVHSRFJ-HNNXBMFYSA-N	-1	0	277.364	2.727	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CCCC)ON=C(C)C	ZINC000846535577	632725572	/nfs/dbraw/zinc/72/55/72/632725572.db2.gz	FVHVVABUQDSCKT-GFCCVEGCSA-N	-1	0	256.346	2.582	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cccc(OCC(C)C)c1	ZINC000846536545	632725733	/nfs/dbraw/zinc/72/57/33/632725733.db2.gz	PTDJPPFAESDHOZ-UHFFFAOYSA-N	-1	0	293.363	2.724	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1nc(-c2cccs2)oc1C	ZINC000846537433	632726117	/nfs/dbraw/zinc/72/61/17/632726117.db2.gz	JVUPXHVQXIIBNB-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccccc1C(F)(F)F	ZINC000846538469	632727387	/nfs/dbraw/zinc/72/73/87/632727387.db2.gz	RNWAEMABNZXTTN-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cc(C)cc(C)c2)CC1	ZINC000846537845	632727405	/nfs/dbraw/zinc/72/74/05/632727405.db2.gz	KQWUZTNMYVKTMP-UHFFFAOYSA-N	-1	0	259.349	2.959	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000846537870	632727579	/nfs/dbraw/zinc/72/75/79/632727579.db2.gz	KXZCMOUROMMARE-UHFFFAOYSA-N	-1	0	289.253	2.708	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(-c2ccccc2)oc1C	ZINC000846542582	632730469	/nfs/dbraw/zinc/73/04/69/632730469.db2.gz	AKISTNXVPNCKNR-NSHDSACASA-N	-1	0	286.331	2.815	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc2c(c1)CCC2	ZINC000846542453	632730489	/nfs/dbraw/zinc/73/04/89/632730489.db2.gz	CBNQDJTYXVJOEG-LLVKDONJSA-N	-1	0	277.389	2.890	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1c(Cl)cccc1Cl	ZINC000846542315	632731047	/nfs/dbraw/zinc/73/10/47/632731047.db2.gz	ZIDMDQZQBACNQV-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1c(C)cc(C)cc1C	ZINC000846541736	632731256	/nfs/dbraw/zinc/73/12/56/632731256.db2.gz	LWXDTCFEBSRTEA-ZDUSSCGKSA-N	-1	0	263.337	2.613	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(OCC)cc1	ZINC000846544101	632732109	/nfs/dbraw/zinc/73/21/09/632732109.db2.gz	USYFQKBNPGKWCL-LLVKDONJSA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccccc1C(F)(F)F	ZINC000846543024	632732174	/nfs/dbraw/zinc/73/21/74/632732174.db2.gz	FROWERXWZALTEX-VIFPVBQESA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(OCC)cc1	ZINC000846543172	632732253	/nfs/dbraw/zinc/73/22/53/632732253.db2.gz	GMVWYODHUMXHED-LBPRGKRZSA-N	-1	0	293.363	2.865	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1SCCc2sccc21	ZINC000846544964	632732812	/nfs/dbraw/zinc/73/28/12/632732812.db2.gz	DBEQWVHPVGTXJZ-GZMMTYOYSA-N	-1	0	269.391	2.701	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1cccc(F)c1	ZINC000846546036	632734216	/nfs/dbraw/zinc/73/42/16/632734216.db2.gz	RXOVSGNPMOSKES-SNVBAGLBSA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(C)cc2)CCOCC1	ZINC000846546513	632734981	/nfs/dbraw/zinc/73/49/81/632734981.db2.gz	WGXBVXVYRNQNSI-AWEZNQCLSA-N	-1	0	289.375	2.666	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1F	ZINC000846546940	632735191	/nfs/dbraw/zinc/73/51/91/632735191.db2.gz	MNNVAABPZJZDPC-CMPLNLGQSA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)c1cn(C)c2ccccc12	ZINC000846547027	632735195	/nfs/dbraw/zinc/73/51/95/632735195.db2.gz	AOXBKSQLICXGFG-VXGBXAGGSA-N	-1	0	272.348	2.904	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@](O)(CC)c1cccc(Cl)c1	ZINC000846552456	632739335	/nfs/dbraw/zinc/73/93/35/632739335.db2.gz	IBIMGPHMFAGKPM-YGRLFVJLSA-N	-1	0	283.755	2.560	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccnc2)CCCC1	ZINC000846552215	632739355	/nfs/dbraw/zinc/73/93/55/632739355.db2.gz	CLEYKFUUGMKPIA-LBPRGKRZSA-N	-1	0	260.337	2.516	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1nc(C(C)C)c(C)s1	ZINC000846556170	632741969	/nfs/dbraw/zinc/74/19/69/632741969.db2.gz	YUYSDOMKYPSWNX-SECBINFHSA-N	-1	0	268.382	2.740	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(C)C	ZINC000847113898	632926233	/nfs/dbraw/zinc/92/62/33/632926233.db2.gz	GHLPYFGBGXSAQO-SNVBAGLBSA-N	-1	0	274.345	2.504	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(C)C	ZINC000847113896	632926482	/nfs/dbraw/zinc/92/64/82/632926482.db2.gz	GHLPYFGBGXSAQO-JTQLQIEISA-N	-1	0	274.345	2.504	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1	ZINC000847624776	633011345	/nfs/dbraw/zinc/01/13/45/633011345.db2.gz	XWWZLWPGHRPCBZ-CQSZACIVSA-N	-1	0	286.375	2.831	20	30		CFEDRM
C=CCCCCCNC(=O)c1c(F)ccc(O)c1O	ZINC000848390606	633247491	/nfs/dbraw/zinc/24/74/91/633247491.db2.gz	CCIMNHMCSSPHNE-UHFFFAOYSA-N	-1	0	267.300	2.713	20	30		CFEDRM
Cc1cc2c(c(C)c1)C(=NNc1[n-]cnc3ncnc1-3)CC2	ZINC000848403200	633249391	/nfs/dbraw/zinc/24/93/91/633249391.db2.gz	ORZOFRBKLLXMJW-UHFFFAOYSA-N	-1	0	292.346	2.732	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCSCC2)cc1	ZINC000848415327	633253153	/nfs/dbraw/zinc/25/31/53/633253153.db2.gz	LZUDBKRBJJEGJG-UHFFFAOYSA-N	-1	0	264.350	2.609	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(F)c(F)c1	ZINC000848414752	633253201	/nfs/dbraw/zinc/25/32/01/633253201.db2.gz	BZYTWQFXLPWYMN-ONGXEEELSA-N	-1	0	296.317	2.931	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848415004	633253370	/nfs/dbraw/zinc/25/33/70/633253370.db2.gz	VGVJGLOLMVTLJO-BXUZGUMPSA-N	-1	0	278.352	2.773	20	30		CFEDRM
O=C(/C=C\c1ccnn1CC1CC1)c1ccc(O)cc1	ZINC000849240109	633587955	/nfs/dbraw/zinc/58/79/55/633587955.db2.gz	FPYMJOHQTDQSJI-YVMONPNESA-N	-1	0	268.316	2.895	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2c(C3CC3)cnn2C)c([O-])c1	ZINC000849246364	633589930	/nfs/dbraw/zinc/58/99/30/633589930.db2.gz	HPUWZUBSFLTIRO-FPLPWBNLSA-N	-1	0	298.342	2.908	20	30		CFEDRM
Cc1cccc(-c2cnn([C@H](C)CC(=O)[O-])c2)c1C#N	ZINC000849476582	633638253	/nfs/dbraw/zinc/63/82/53/633638253.db2.gz	UQJPGVBPWXEJJI-LLVKDONJSA-N	-1	0	269.304	2.766	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C2CC2)cc1	ZINC000850753407	634079548	/nfs/dbraw/zinc/07/95/48/634079548.db2.gz	ZIBWWPZJTMCRAM-OAHLLOKOSA-N	-1	0	282.343	2.509	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(F)s1	ZINC000850758192	634081550	/nfs/dbraw/zinc/08/15/50/634081550.db2.gz	ZRNJPTWJEOQRQY-JTQLQIEISA-N	-1	0	294.351	2.659	20	30		CFEDRM
COC1(C(C)N=Nc2cccc(C(=O)[O-])c2)CCC1	ZINC000853257824	634952974	/nfs/dbraw/zinc/95/29/74/634952974.db2.gz	FDZWUIIJYGQDHC-UHFFFAOYSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=C[C@@H]1CC[C@@H]2C[C@@H]2C1	ZINC000853284203	634958499	/nfs/dbraw/zinc/95/84/99/634958499.db2.gz	TXZTUMIGELQCRG-UTUOFQBUSA-N	-1	0	299.399	2.955	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC(CF)(CF)C1	ZINC000853326054	634970086	/nfs/dbraw/zinc/97/00/86/634970086.db2.gz	SLOBURYEDDQHCU-UHFFFAOYSA-N	-1	0	298.289	2.881	20	30		CFEDRM
Cc1c(NN=Cc2nccn2C(C)C)cccc1C(=O)[O-]	ZINC000853370735	634985324	/nfs/dbraw/zinc/98/53/24/634985324.db2.gz	VEWRNRDWSSXUDH-UHFFFAOYSA-N	-1	0	286.335	2.917	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000853378645	634986511	/nfs/dbraw/zinc/98/65/11/634986511.db2.gz	IPUVRPALLMLDOD-SNVBAGLBSA-N	-1	0	263.297	2.509	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccncc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000853403010	634995551	/nfs/dbraw/zinc/99/55/51/634995551.db2.gz	PXNBUQVGHJIVLK-NXEZZACHSA-N	-1	0	293.342	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(-c2ccccc2)oc1C	ZINC000856029582	635705534	/nfs/dbraw/zinc/70/55/34/635705534.db2.gz	UUBDWTUFHBGERE-UHFFFAOYSA-N	-1	0	286.331	2.816	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@](O)(CC)c1cccc(Cl)c1	ZINC000856035043	635710288	/nfs/dbraw/zinc/71/02/88/635710288.db2.gz	RDKSPXKKCIAVBQ-AWEZNQCLSA-N	-1	0	283.755	2.562	20	30		CFEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OCC1CCC1	ZINC000856348959	635790997	/nfs/dbraw/zinc/79/09/97/635790997.db2.gz	WEPXZHLRBLUUCG-UHFFFAOYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC[C@@H]2CC2(F)F)c1	ZINC000856717057	635838563	/nfs/dbraw/zinc/83/85/63/635838563.db2.gz	BQHNOQQJZUEKSC-KIKKFWRUSA-N	-1	0	270.235	2.765	20	30		CFEDRM
CCCC[C@H](C(=O)C(C#N)=C([O-])c1nccn1C)C(C)C	ZINC000857013276	635905685	/nfs/dbraw/zinc/90/56/85/635905685.db2.gz	LQYYQXDXMXONKJ-STQMWFEESA-N	-1	0	289.379	2.774	20	30		CFEDRM
COc1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)ccc1O	ZINC000158298167	650223796	/nfs/dbraw/zinc/22/37/96/650223796.db2.gz	NPLIZJOCKKLMJO-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)C1CC1	ZINC000048423016	650265265	/nfs/dbraw/zinc/26/52/65/650265265.db2.gz	QZRLJLVBNWFYNO-LUAWRHEFSA-N	-1	0	279.361	2.997	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048587268	650272258	/nfs/dbraw/zinc/27/22/58/650272258.db2.gz	AGZDPMGZRQFKPM-FPLPWBNLSA-N	-1	0	295.291	2.777	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1	ZINC000048519776	650269846	/nfs/dbraw/zinc/26/98/46/650269846.db2.gz	BUMXPURMSYALOU-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518362	650270119	/nfs/dbraw/zinc/27/01/19/650270119.db2.gz	XNBYOUSEZLUWJD-FROQITRMSA-N	-1	0	295.360	2.513	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)OCc1ccc(C)cc1	ZINC000862217601	637289376	/nfs/dbraw/zinc/28/93/76/637289376.db2.gz	KLHMODUBFPNIKE-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000862579339	637445601	/nfs/dbraw/zinc/44/56/01/637445601.db2.gz	VDRSHWAVKRMMCD-JTQLQIEISA-N	-1	0	297.276	2.896	20	30		CFEDRM
CC[C@H](NN=Cc1csc(C(F)(F)F)c1)C(=O)[O-]	ZINC000863115129	637561714	/nfs/dbraw/zinc/56/17/14/637561714.db2.gz	ZMTRTBVWWCGPHW-ZETCQYMHSA-N	-1	0	280.271	2.554	20	30		CFEDRM
CCCC(=NNCC(=O)[O-])c1cc(C)sc1C	ZINC000863117172	637562257	/nfs/dbraw/zinc/56/22/57/637562257.db2.gz	LJNAUPBLYCOXGE-UHFFFAOYSA-N	-1	0	254.355	2.543	20	30		CFEDRM
Cc1cnccc1N=NC(C)[C@H](C)CCCCC(=O)[O-]	ZINC000863158052	637571998	/nfs/dbraw/zinc/57/19/98/637571998.db2.gz	MZSIJEUQVOFIMZ-LLVKDONJSA-N	-1	0	277.368	2.881	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCC(F)(F)C(F)(F)F)c1	ZINC000863183176	637582492	/nfs/dbraw/zinc/58/24/92/637582492.db2.gz	OESCYUIPRAAPNQ-UHFFFAOYSA-N	-1	0	296.195	2.506	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864143179	637891893	/nfs/dbraw/zinc/89/18/93/637891893.db2.gz	DUCCXJXASAAZQR-RJCSOLBVSA-N	-1	0	277.320	2.852	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000864174692	637902023	/nfs/dbraw/zinc/90/20/23/637902023.db2.gz	KXFMGWZUDQOMSV-KBPBESRZSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCCC1	ZINC000864177807	637903597	/nfs/dbraw/zinc/90/35/97/637903597.db2.gz	SQITVFDCRCAVGQ-QWHCGFSZSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCc1cccc(C)c1)C(=O)[O-]	ZINC000864183487	637906846	/nfs/dbraw/zinc/90/68/46/637906846.db2.gz	FUUZJGOJTJTJEL-ZDUSSCGKSA-N	-1	0	295.766	2.640	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)CCCC)C(=O)[O-]	ZINC000864185864	637907192	/nfs/dbraw/zinc/90/71/92/637907192.db2.gz	DUMGIYVMAPLZSQ-SCZZXKLOSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)C(=O)[O-]	ZINC000864184781	637907464	/nfs/dbraw/zinc/90/74/64/637907464.db2.gz	SQBBXCXRYLEHHI-WCQYABFASA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864184931	637907483	/nfs/dbraw/zinc/90/74/83/637907483.db2.gz	UAPYFEZKNQHBDF-CYBMUJFWSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000864185011	637907566	/nfs/dbraw/zinc/90/75/66/637907566.db2.gz	UXTAZBNXDJRREW-ZEBCKKTISA-N	-1	0	273.760	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000864185896	637907723	/nfs/dbraw/zinc/90/77/23/637907723.db2.gz	FKBYAFAGRIJDMQ-KOLCDFICSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000864186484	637908424	/nfs/dbraw/zinc/90/84/24/637908424.db2.gz	QMTZPQWODKZZFJ-SNVBAGLBSA-N	-1	0	299.754	2.730	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C\SCc1ccco1)C(=O)[O-]	ZINC000864188762	637909213	/nfs/dbraw/zinc/90/92/13/637909213.db2.gz	VCRYOGKMOWSFJA-HWPRWLFBSA-N	-1	0	295.360	2.562	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC[C@H]2CCCOC2)c1	ZINC000864344528	637946117	/nfs/dbraw/zinc/94/61/17/637946117.db2.gz	AMUWAYKIXYWZLY-BTAWCLGRSA-N	-1	0	278.308	2.536	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2C[C@H]2C2CCOCC2)c1	ZINC000864349448	637949358	/nfs/dbraw/zinc/94/93/58/637949358.db2.gz	YBTWTVACEWXREO-SPUNDSLRSA-N	-1	0	290.319	2.534	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000864519308	638010248	/nfs/dbraw/zinc/01/02/48/638010248.db2.gz	KYLGEOJQFJHEQC-PWSUYJOCSA-N	-1	0	296.754	2.643	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000864584125	638033786	/nfs/dbraw/zinc/03/37/86/638033786.db2.gz	LEDRVVBGLDYSCX-VIFPVBQESA-N	-1	0	288.756	2.774	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000076759589	650402019	/nfs/dbraw/zinc/40/20/19/650402019.db2.gz	ZKOPZGQYIYWLCN-NSHDSACASA-N	-1	0	294.376	2.781	20	30		CFEDRM
C[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1csnn1	ZINC000866374810	638808541	/nfs/dbraw/zinc/80/85/41/638808541.db2.gz	NZAXEUZHQXTPSH-DTWKUNHWSA-N	-1	0	274.349	2.527	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2ccc(Cl)cc21	ZINC000869154503	639051369	/nfs/dbraw/zinc/05/13/69/639051369.db2.gz	UAQZWDMAZIKDSD-UFBFGSQYSA-N	-1	0	251.713	2.602	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(CC)cc1	ZINC000191253195	650485670	/nfs/dbraw/zinc/48/56/70/650485670.db2.gz	GXQKCZPGSAKTPD-CYBMUJFWSA-N	-1	0	289.375	2.842	20	30		CFEDRM
C[C@@H](CC(=O)C(C#N)=C([O-])c1nccn1C)c1ccccc1	ZINC000123161524	639700543	/nfs/dbraw/zinc/70/05/43/639700543.db2.gz	LKKFGRGGHBLBKK-GXTWGEPZSA-N	-1	0	295.342	2.505	20	30		CFEDRM
C[C@@]1(C(=O)[N-]Oc2cccc(C#N)c2)CC=CCC1	ZINC000870689787	639772553	/nfs/dbraw/zinc/77/25/53/639772553.db2.gz	BJRZLOJAIGKREX-OAHLLOKOSA-N	-1	0	256.305	2.715	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C2(C(F)(F)F)CCC2)c1	ZINC000870690366	639772722	/nfs/dbraw/zinc/77/27/22/639772722.db2.gz	NNJDKVUAAPVYPR-UHFFFAOYSA-N	-1	0	284.237	2.701	20	30		CFEDRM
CCCCS[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692772	639774381	/nfs/dbraw/zinc/77/43/81/639774381.db2.gz	NMTPYWRPBAEBCJ-NSHDSACASA-N	-1	0	278.377	2.890	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692737	639774525	/nfs/dbraw/zinc/77/45/25/639774525.db2.gz	MFQBDLGCQIGOPF-DOMZBBRYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C[C@H]1CCC[C@H](OCC(=O)[N-]Oc2cccc(C#N)c2)C1	ZINC000870692775	639774673	/nfs/dbraw/zinc/77/46/73/639774673.db2.gz	NPUJXZAMQOPUDS-JSGCOSHPSA-N	-1	0	288.347	2.564	20	30		CFEDRM
CCS[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)C(C)C	ZINC000870692646	639774895	/nfs/dbraw/zinc/77/48/95/639774895.db2.gz	JDNYLIVSHMCKCA-CYBMUJFWSA-N	-1	0	278.377	2.746	20	30		CFEDRM
CCCC=CC(=O)[N-]S(=O)(=O)c1cc(C#N)ccc1C	ZINC000078814582	650536426	/nfs/dbraw/zinc/53/64/26/650536426.db2.gz	RGQSCVVRNADELT-AATRIKPKSA-N	-1	0	292.360	2.868	20	30		CFEDRM
CCc1nn(C)cc1C=CC(=O)c1sccc1[O-]	ZINC000193149859	650628486	/nfs/dbraw/zinc/62/84/86/650628486.db2.gz	IVYASTXSKCJURO-SNAWJCMRSA-N	-1	0	262.334	2.646	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1csc2ccccc21	ZINC000193461504	650656813	/nfs/dbraw/zinc/65/68/13/650656813.db2.gz	IBALTYMJPNXVLM-NSHDSACASA-N	-1	0	284.340	2.502	20	30		CFEDRM
Cc1[n-]n(-c2nc(F)ccc2Cl)c(=O)c1CCC#N	ZINC000871958056	641531575	/nfs/dbraw/zinc/53/15/75/641531575.db2.gz	TUJAAMGQUBWSIS-MRVPVSSYSA-N	-1	0	280.690	2.517	20	30		CFEDRM
Cc1cc(C)c(CC=CN=Nc2nnc(C)c(=O)[n-]2)cc1C	ZINC000872331944	641758164	/nfs/dbraw/zinc/75/81/64/641758164.db2.gz	ZWYDSKPIXUBHTC-NYPBNNSBSA-N	-1	0	297.362	2.922	20	30		CFEDRM
CCCC(=NNc1[n-]cnc2ncnc1-2)c1cc(C)ccn1	ZINC000872344621	641761236	/nfs/dbraw/zinc/76/12/36/641761236.db2.gz	LTCGGWRYRXPYLE-UHFFFAOYSA-N	-1	0	295.350	2.673	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCC(F)(F)C2)nc1	ZINC000872360542	641768363	/nfs/dbraw/zinc/76/83/63/641768363.db2.gz	PJKLHFCOCRIZLF-QMMMGPOBSA-N	-1	0	269.251	2.613	20	30		CFEDRM
CC[C@H](NN=C(C)CCc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000872376178	641780643	/nfs/dbraw/zinc/78/06/43/641780643.db2.gz	GHCPYVIAVOVHAJ-AWEZNQCLSA-N	-1	0	287.363	2.929	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(OC(C)(C)C)c1)C(=O)[O-]	ZINC000872376979	641780803	/nfs/dbraw/zinc/78/08/03/641780803.db2.gz	VZVGHMIDZACBOX-CYBMUJFWSA-N	-1	0	278.352	2.651	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CCC[C@@H]2F)cc1	ZINC000872386947	641785943	/nfs/dbraw/zinc/78/59/43/641785943.db2.gz	JKQOASYGBHWQPF-NSHDSACASA-N	-1	0	250.273	2.604	20	30		CFEDRM
CC(CCc1ccc(OCCC(=O)[O-])cc1)=NN1CCC1	ZINC000872398071	641791976	/nfs/dbraw/zinc/79/19/76/641791976.db2.gz	CCUOZAZKOLEEEH-UHFFFAOYSA-N	-1	0	290.363	2.554	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000872981844	641976086	/nfs/dbraw/zinc/97/60/86/641976086.db2.gz	NLVIROOYLDRUAZ-CYBMUJFWSA-N	-1	0	279.380	2.529	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@H]1C(=O)[O-]	ZINC000873006076	641982710	/nfs/dbraw/zinc/98/27/10/641982710.db2.gz	YJIAWCWPSVUEQZ-VXGBXAGGSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)CC1	ZINC000873005558	641982750	/nfs/dbraw/zinc/98/27/50/641982750.db2.gz	XCZDTFIJFIWYML-HDJSIYSDSA-N	-1	0	291.391	2.720	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000874403947	642379524	/nfs/dbraw/zinc/37/95/24/642379524.db2.gz	AOLXAMDCQXEZII-UHFFFAOYSA-N	-1	0	296.411	2.921	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)cc2)ccc1C(=O)[O-]	ZINC000874970772	642567462	/nfs/dbraw/zinc/56/74/62/642567462.db2.gz	AAVKKXXVUPLQDJ-UHFFFAOYSA-N	-1	0	251.241	2.736	20	30		CFEDRM
N#Cc1c(OCC(=O)[O-])cccc1-c1ccc(C=O)cc1	ZINC000874970670	642567913	/nfs/dbraw/zinc/56/79/13/642567913.db2.gz	VGHTWEFZQKSHCA-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
N#Cc1cc(-c2cccc(C=O)c2)ccc1CC(=O)[O-]	ZINC000874972147	642568526	/nfs/dbraw/zinc/56/85/26/642568526.db2.gz	OVCGYIUWZXCJBN-UHFFFAOYSA-N	-1	0	265.268	2.665	20	30		CFEDRM
Cc1cccc(OCC(=O)[N-]S(=O)(=O)C2CCCC2)c1	ZINC000086055417	650794822	/nfs/dbraw/zinc/79/48/22/650794822.db2.gz	PYYFVNJBRUYZJP-UHFFFAOYSA-N	-1	0	297.376	2.603	20	30		CFEDRM
O=C(C=Cc1ccco1)[N-]S(=O)(=O)C1CCCC1	ZINC000086056562	650795873	/nfs/dbraw/zinc/79/58/73/650795873.db2.gz	XGHCCPPEFQXMEF-BQYQJAHWSA-N	-1	0	269.322	2.522	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C=C2CCC2)cc1	ZINC000088799550	650819832	/nfs/dbraw/zinc/81/98/32/650819832.db2.gz	NNYOGZIANMSPBO-UHFFFAOYSA-N	-1	0	265.334	2.751	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000088799707	650820127	/nfs/dbraw/zinc/82/01/27/650820127.db2.gz	KMTMRLNIOQDEAI-UHFFFAOYSA-N	-1	0	269.297	2.581	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)CCc1ccccc1	ZINC000088808588	650820897	/nfs/dbraw/zinc/82/08/97/650820897.db2.gz	NGRALFUPZDMGCE-UHFFFAOYSA-N	-1	0	279.361	2.626	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cnc(CC3CC3)s2)c1	ZINC000879065665	644131158	/nfs/dbraw/zinc/13/11/58/644131158.db2.gz	IKLYYHWCSHQAHF-UHFFFAOYSA-N	-1	0	299.355	2.925	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cccc(Cl)c1Cl	ZINC000092462253	650920645	/nfs/dbraw/zinc/92/06/45/650920645.db2.gz	OYQGQHHWBGZOQF-UHFFFAOYSA-N	-1	0	288.130	2.706	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N(C)Cc1nc(=O)o[n-]1	ZINC000880393851	644686466	/nfs/dbraw/zinc/68/64/66/644686466.db2.gz	RYXLWZSWVKNVGL-LBPRGKRZSA-N	-1	0	297.399	2.708	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1	ZINC000880549524	644761460	/nfs/dbraw/zinc/76/14/60/644761460.db2.gz	YGPIMWIAGNKCKQ-UXIGCNINSA-N	-1	0	263.312	2.679	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000128675616	644852241	/nfs/dbraw/zinc/85/22/41/644852241.db2.gz	BNTNBIIZTRBFDB-GFCCVEGCSA-N	-1	0	276.336	2.525	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2cnc(CC3CC3)s2)c1	ZINC000881299534	644946065	/nfs/dbraw/zinc/94/60/65/644946065.db2.gz	NPTVQADHFOKWEG-UHFFFAOYSA-N	-1	0	299.355	2.691	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)NCC1(CC(C)C)CCCC1	ZINC000094880888	650965223	/nfs/dbraw/zinc/96/52/23/650965223.db2.gz	NADALPGOAHDQPM-UHFFFAOYSA-N	-1	0	296.411	2.875	20	30		CFEDRM
COc1cc(/C=C/C(=O)c2ccco2)cc([N+](=O)[O-])c1[O-]	ZINC000130868668	645585650	/nfs/dbraw/zinc/58/56/50/645585650.db2.gz	CJMHCAPCHIAIRN-SNAWJCMRSA-N	-1	0	289.243	2.798	20	30		CFEDRM
Cc1nnc(NN=C2CCCC[C@@H]2c2ccccc2)[n-]c1=O	ZINC000007809878	647869003	/nfs/dbraw/zinc/86/90/03/647869003.db2.gz	GPSRMURIMJHJNB-CYBMUJFWSA-N	-1	0	297.362	2.599	20	30		CFEDRM
N#C[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000928224119	648877504	/nfs/dbraw/zinc/87/75/04/648877504.db2.gz	UFJAWHOTWJTVKP-MRVPVSSYSA-N	-1	0	282.702	2.560	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@@](C)(CCC)C(=O)[O-])cc1	ZINC000036337752	649586307	/nfs/dbraw/zinc/58/63/07/649586307.db2.gz	ISTWXVXONNYWBT-INIZCTEOSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C[C@@H](C#N)CNC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000932472779	649607401	/nfs/dbraw/zinc/60/74/01/649607401.db2.gz	QHUQPIIREGOYCJ-LURJTMIESA-N	-1	0	273.119	2.588	20	30		CFEDRM
N#Cc1ncc(-c2cc(F)cc(F)c2[O-])cc1F	ZINC001243503616	782237908	/nfs/dbraw/zinc/23/79/08/782237908.db2.gz	IBYYVMUIZUSMHA-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
COc1ccc(-c2cc(F)cc(F)c2[O-])nc1CC#N	ZINC001243501341	782237213	/nfs/dbraw/zinc/23/72/13/782237213.db2.gz	HELIGBNMUZBBBQ-UHFFFAOYSA-N	-1	0	276.242	2.807	20	30		CFEDRM
N#Cc1ccnc(-c2cc(F)cc(F)c2[O-])c1F	ZINC001243500031	782235492	/nfs/dbraw/zinc/23/54/92/782235492.db2.gz	KHVDUQBOGYMQGU-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1cc(F)cc(F)c1[O-]	ZINC001243503558	782238139	/nfs/dbraw/zinc/23/81/39/782238139.db2.gz	HWBATFTUMGFGFJ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243519201	782251864	/nfs/dbraw/zinc/25/18/64/782251864.db2.gz	ZXDQJPKESBLSKA-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@H](C(=O)[O-])C2)cc1C(F)(F)F	ZINC000693000149	770048147	/nfs/dbraw/zinc/04/81/47/770048147.db2.gz	BGUAZMYKBKFLLI-CZMCAQCFSA-N	-1	0	284.237	2.852	20	30		CFEDRM
N#Cc1ccc(O)c(Nc2ccc(F)c(CO)c2)c1	ZINC001209879003	770153539	/nfs/dbraw/zinc/15/35/39/770153539.db2.gz	RGSJYLFOQVNAQO-UHFFFAOYSA-N	-1	0	258.252	2.639	20	30		CFEDRM
N#Cc1ccc([N-]c2nnc(-c3ccco3)o2)c(N)c1	ZINC001213346915	770502155	/nfs/dbraw/zinc/50/21/55/770502155.db2.gz	JFCSNOHYQYKUOQ-UHFFFAOYSA-N	-1	0	267.248	2.527	20	30		CFEDRM
C#Cc1cccnc1Nc1c(F)cc(C(=O)[O-])cc1F	ZINC001215608986	770518067	/nfs/dbraw/zinc/51/80/67/770518067.db2.gz	MSCCKGOLEDXWMV-UHFFFAOYSA-N	-1	0	274.226	2.783	20	30		CFEDRM
COc1ccc(CO)cc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001211530789	770794892	/nfs/dbraw/zinc/79/48/92/770794892.db2.gz	FYTBZMYYWKQVOW-UHFFFAOYSA-N	-1	0	288.278	2.647	20	30		CFEDRM
Cc1cc(Nc2cnccc2C#N)cc(C(=O)[O-])c1	ZINC001211537581	770856227	/nfs/dbraw/zinc/85/62/27/770856227.db2.gz	QHSLBKJXINSHMX-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
C#Cc1cccnc1Nc1ccc(CCC(=O)[O-])cc1	ZINC001213621351	770911126	/nfs/dbraw/zinc/91/11/26/770911126.db2.gz	TUYXHBDYNXHGRK-UHFFFAOYSA-N	-1	0	266.300	2.824	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](OCCCS(=O)(=O)[O-])C1	ZINC001224894849	775301652	/nfs/dbraw/zinc/30/16/52/775301652.db2.gz	YEVNGNKIDWRMIT-STQMWFEESA-N	-1	0	274.382	2.582	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516401	775487343	/nfs/dbraw/zinc/48/73/43/775487343.db2.gz	ZWEGIKGOHMEGSC-GFCCVEGCSA-N	-1	0	282.361	2.894	20	30		CFEDRM
N#C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1F	ZINC001225563119	775501625	/nfs/dbraw/zinc/50/16/25/775501625.db2.gz	QVKJUBGBOSLZQD-SECBINFHSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1cccc([O-])c1[N+](=O)[O-]	ZINC001225619981	775527322	/nfs/dbraw/zinc/52/73/22/775527322.db2.gz	LYQOGHDSEDMXLL-SNVBAGLBSA-N	-1	0	279.368	2.949	20	30		CFEDRM
N#C[C@H](Oc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1	ZINC001225979120	775656816	/nfs/dbraw/zinc/65/68/16/775656816.db2.gz	BUHDOAKHXJNYIL-VIFPVBQESA-N	-1	0	295.220	2.845	20	30		CFEDRM
CC(C)[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C(F)(F)F	ZINC001226012790	775668118	/nfs/dbraw/zinc/66/81/18/775668118.db2.gz	FZZRZXXQJSYIDM-MRVPVSSYSA-N	-1	0	278.205	2.764	20	30		CFEDRM
CCC1=C(Oc2cccc([S-])c2)C(=O)[C@H](C)O1	ZINC001226017454	775669251	/nfs/dbraw/zinc/66/92/51/775669251.db2.gz	ZFMUHFJGNMACFW-QMMMGPOBSA-N	-1	0	250.319	2.964	20	30		CFEDRM
N#Cc1c(O[C@@H]2C[C@H]3C[C@H]3C2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063921	775685417	/nfs/dbraw/zinc/68/54/17/775685417.db2.gz	MLUDQSQGMOKORT-RNLVFQAGSA-N	-1	0	284.237	2.855	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C(C)C	ZINC001226066395	775687175	/nfs/dbraw/zinc/68/71/75/775687175.db2.gz	ASBMUGUDZZIREI-SNVBAGLBSA-N	-1	0	284.237	2.714	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068459	775687801	/nfs/dbraw/zinc/68/78/01/775687801.db2.gz	PLYDDDQJHWQUPM-KWQFWETISA-N	-1	0	296.248	2.858	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)COc2ccccc2)c1C#N	ZINC001226221427	775741130	/nfs/dbraw/zinc/74/11/30/775741130.db2.gz	LCJPVGUEAFZHGX-GFCCVEGCSA-N	-1	0	284.315	2.814	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2COCc3ccccc32)c1C#N	ZINC001226220953	775741625	/nfs/dbraw/zinc/74/16/25/775741625.db2.gz	DAKRUXKYOVEPLO-AWEZNQCLSA-N	-1	0	282.299	2.618	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C#N)c2ccccc2F)c1C#N	ZINC001226223870	775743320	/nfs/dbraw/zinc/74/33/20/775743320.db2.gz	WURAYTBVAARFKO-CYBMUJFWSA-N	-1	0	283.262	2.750	20	30		CFEDRM
COc1cnc(=S)[nH]c1O[C@H](C#N)c1cccc(F)c1	ZINC001226247623	775753880	/nfs/dbraw/zinc/75/38/80/775753880.db2.gz	YOHBNRLOUFZQPW-SNVBAGLBSA-N	-1	0	291.307	2.557	20	30		CFEDRM
C=C[C@H](CCCCCC)Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226336950	775784014	/nfs/dbraw/zinc/78/40/14/775784014.db2.gz	TWPLGWBLWAMRJP-SNVBAGLBSA-N	-1	0	281.312	2.994	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[n-]c(=O)ncc1[N+](=O)[O-]	ZINC001226335605	775784049	/nfs/dbraw/zinc/78/40/49/775784049.db2.gz	JLVOQQIIUHUHGF-JFGNBEQYSA-N	-1	0	293.323	2.850	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226413051	775810865	/nfs/dbraw/zinc/81/08/65/775810865.db2.gz	NRECVLGQRXSARL-NSHDSACASA-N	-1	0	286.349	2.763	20	30		CFEDRM
C=CC[C@H](CCC)Oc1ccc(O)cc1S(=O)(=O)[O-]	ZINC001226413049	775810940	/nfs/dbraw/zinc/81/09/40/775810940.db2.gz	NRECVLGQRXSARL-LLVKDONJSA-N	-1	0	286.349	2.763	20	30		CFEDRM
CCOC(=O)C[C@@H](CC#N)Oc1cccc(O)c1Cl	ZINC001226712556	775935348	/nfs/dbraw/zinc/93/53/48/775935348.db2.gz	SXEGCDCWFACIPQ-SECBINFHSA-N	-1	0	283.711	2.660	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788302	775964989	/nfs/dbraw/zinc/96/49/89/775964989.db2.gz	VDWHSQMPASJXRO-MRVPVSSYSA-N	-1	0	287.157	2.987	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226787193	775965050	/nfs/dbraw/zinc/96/50/50/775965050.db2.gz	WFHGFBWJEWPUPN-QMMMGPOBSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788310	775965521	/nfs/dbraw/zinc/96/55/21/775965521.db2.gz	VUKJHPIAZFNSIC-VIFPVBQESA-N	-1	0	299.168	2.680	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1[n-]c(=O)nc2ccccc21	ZINC001226976545	776043759	/nfs/dbraw/zinc/04/37/59/776043759.db2.gz	BVTORTONVHTJNG-NSHDSACASA-N	-1	0	256.305	2.762	20	30		CFEDRM
Cc1cc(Nc2cc(F)cnc2C#N)ccc1C(=O)[O-]	ZINC001211655293	776053054	/nfs/dbraw/zinc/05/30/54/776053054.db2.gz	SHLDVAVBGVMAJA-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
N#CCc1ccc(-c2c(F)cc(C(=O)[O-])cc2F)nc1	ZINC001222372978	776116623	/nfs/dbraw/zinc/11/66/23/776116623.db2.gz	KDDDQAQRZZHROU-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227270630	776166709	/nfs/dbraw/zinc/16/67/09/776166709.db2.gz	JFZNENHGJDTHIG-LBPRGKRZSA-N	-1	0	280.287	2.697	20	30		CFEDRM
C[C@H](Oc1ccc([N+](=O)[O-])cc1C#N)C1=CC=C[CH]1	ZINC001227312861	776176201	/nfs/dbraw/zinc/17/62/01/776176201.db2.gz	OSOBXARBVORTAF-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
C=C[C@H](Oc1[n-]c(=S)nnc1C)c1ccccc1	ZINC001227599941	776237538	/nfs/dbraw/zinc/23/75/38/776237538.db2.gz	BGZPTWNPXSSHNT-NSHDSACASA-N	-1	0	259.334	2.775	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=S)nnc2C)O1	ZINC001227598171	776237838	/nfs/dbraw/zinc/23/78/38/776237838.db2.gz	GTVHFXLHYAAQQE-YGRLFVJLSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227609122	776241491	/nfs/dbraw/zinc/24/14/91/776241491.db2.gz	FZAKRWZNMTUOPT-ZETCQYMHSA-N	-1	0	251.311	2.525	20	30		CFEDRM
C=C[C@H](Oc1[n-]c(=O)nc2cc[nH]c21)c1ccccc1	ZINC001227810598	776297630	/nfs/dbraw/zinc/29/76/30/776297630.db2.gz	VWVBISXKSSLTAB-LBPRGKRZSA-N	-1	0	267.288	2.970	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000125569420	776355872	/nfs/dbraw/zinc/35/58/72/776355872.db2.gz	VXRISANNRXUCOL-CQSZACIVSA-N	-1	0	272.348	2.706	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228003521	776358637	/nfs/dbraw/zinc/35/86/37/776358637.db2.gz	ACZUPYMGTVUVLV-SNVBAGLBSA-N	-1	0	259.309	2.854	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228008353	776361025	/nfs/dbraw/zinc/36/10/25/776361025.db2.gz	MXVOTDMMRIYPIE-JTQLQIEISA-N	-1	0	259.309	2.854	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)o1	ZINC000125620179	776384655	/nfs/dbraw/zinc/38/46/55/776384655.db2.gz	ARTHVVKDWHDHPK-SNVBAGLBSA-N	-1	0	296.754	2.952	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1C#N	ZINC001228482048	776503925	/nfs/dbraw/zinc/50/39/25/776503925.db2.gz	IZRFUXLUNFQEPV-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C=CCOc1ccccc1[C@@H](C)Oc1cnnc(=S)[nH]1	ZINC001228641299	776549726	/nfs/dbraw/zinc/54/97/26/776549726.db2.gz	CGOKZJKQWQQMNW-SNVBAGLBSA-N	-1	0	289.360	2.865	20	30		CFEDRM
C[C@H](Oc1c(C#N)cccc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001228774031	776605984	/nfs/dbraw/zinc/60/59/84/776605984.db2.gz	OQPILRAKSNJVOB-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H]1CCc2c1nccc2Cl	ZINC001228898705	776650382	/nfs/dbraw/zinc/65/03/82/776650382.db2.gz	KQZWUKZFDCMMJM-LLVKDONJSA-N	-1	0	287.706	2.774	20	30		CFEDRM
C[C@@H](COCc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901606	776651393	/nfs/dbraw/zinc/65/13/93/776651393.db2.gz	NBFXLPBEGXYILA-LBPRGKRZSA-N	-1	0	284.315	2.643	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)ccc2C#N)C(C)(C)O1	ZINC001228903384	776652504	/nfs/dbraw/zinc/65/25/04/776652504.db2.gz	YGELVZBUDHNXFV-MLGOLLRUSA-N	-1	0	288.347	2.940	20	30		CFEDRM
COc1cccc([C@H](C)Oc2[n-]c(=O)ccc2C#N)c1	ZINC001228903608	776653180	/nfs/dbraw/zinc/65/31/80/776653180.db2.gz	ZHQPRWKBXRLTEG-JTQLQIEISA-N	-1	0	270.288	2.807	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1C[C@H](OCc2ccccc2)C1	ZINC001228905223	776653295	/nfs/dbraw/zinc/65/32/95/776653295.db2.gz	LXHQJIRFLLBVHG-SHTZXODSSA-N	-1	0	296.326	2.785	20	30		CFEDRM
C#C[C@@H](CCC)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214832	776753755	/nfs/dbraw/zinc/75/37/55/776753755.db2.gz	HQKZSRHUGMYWKY-NSHDSACASA-N	-1	0	288.299	2.688	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229379126	776795153	/nfs/dbraw/zinc/79/51/53/776795153.db2.gz	RDFFWWHLECTBEA-SECBINFHSA-N	-1	0	267.285	2.522	20	30		CFEDRM
C[Si](C)(C)C#C[C@@H](Oc1ncnc(=O)[n-]1)c1ccccc1	ZINC001229606609	776855198	/nfs/dbraw/zinc/85/51/98/776855198.db2.gz	MOHNFAXZQUFCPG-CYBMUJFWSA-N	-1	0	299.406	2.578	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1ccccc1-c1nn[nH]n1	ZINC001229953878	776923097	/nfs/dbraw/zinc/92/30/97/776923097.db2.gz	FNXNZQJUHJXZQN-LBPRGKRZSA-N	-1	0	270.336	2.828	20	30		CFEDRM
C=C[C@H](CCCC)Oc1ccccc1-c1nn[nH]n1	ZINC001229951042	776923129	/nfs/dbraw/zinc/92/31/29/776923129.db2.gz	OYZARAYDEQPGSR-LLVKDONJSA-N	-1	0	258.325	2.990	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc[n-]c(=O)c1Cl	ZINC001230016336	776939539	/nfs/dbraw/zinc/93/95/39/776939539.db2.gz	GOYVPXBMDNHDBI-ZCFIWIBFSA-N	-1	0	262.762	2.701	20	30		CFEDRM
C[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccccc1C#N	ZINC001230016791	776939600	/nfs/dbraw/zinc/93/96/00/776939600.db2.gz	IDFZORXVMPKOAY-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C#C[C@H](C)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)[O-]	ZINC001230110731	776954022	/nfs/dbraw/zinc/95/40/22/776954022.db2.gz	APKDVTVNQLSLMG-LURJTMIESA-N	-1	0	295.143	2.641	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(Cl)[n-]c(=O)n2)O1	ZINC001230241744	776964503	/nfs/dbraw/zinc/96/45/03/776964503.db2.gz	NEHKFXWTCJUSJV-ISVAXAHUSA-N	-1	0	299.758	2.512	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(Cl)[n-]c(=O)n2)O1	ZINC001230241746	776964667	/nfs/dbraw/zinc/96/46/67/776964667.db2.gz	NEHKFXWTCJUSJV-SDBXPKJASA-N	-1	0	299.758	2.512	20	30		CFEDRM
C#C[C@@H](Oc1ncc(C(=O)OC)[n-]1)[C@@H](CC)CCCC	ZINC001230280718	776971400	/nfs/dbraw/zinc/97/14/00/776971400.db2.gz	ZPVXBEWVCLKAKF-WCQYABFASA-N	-1	0	278.352	2.793	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1ncc(C(=O)OC)[n-]1	ZINC001230282262	776972099	/nfs/dbraw/zinc/97/20/99/776972099.db2.gz	SVHFTXNYQVIFMN-SNVBAGLBSA-N	-1	0	252.314	2.710	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862181	777076238	/nfs/dbraw/zinc/07/62/38/777076238.db2.gz	MBDNKPCLVZKVOE-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862723	777077656	/nfs/dbraw/zinc/07/76/56/777077656.db2.gz	SYNVBXJJALXMBW-QMTHXVAHSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230884879	777081768	/nfs/dbraw/zinc/08/17/68/777081768.db2.gz	HSLFEJHJGPGAKK-QMMMGPOBSA-N	-1	0	262.696	2.779	20	30		CFEDRM
C[C@H](CS)Oc1nc(=O)[nH]cc1-c1ccccc1	ZINC001230971305	777106062	/nfs/dbraw/zinc/10/60/62/777106062.db2.gz	GBIPNTVNYCIPRE-SECBINFHSA-N	-1	0	262.334	2.546	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231072446	777131302	/nfs/dbraw/zinc/13/13/02/777131302.db2.gz	VSBYGGCQUZVWIZ-MRVPVSSYSA-N	-1	0	299.714	2.705	20	30		CFEDRM
C=C[C@@H](CCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231222851	777174217	/nfs/dbraw/zinc/17/42/17/777174217.db2.gz	BSPKAMFNSUJVBI-QMMMGPOBSA-N	-1	0	282.252	2.942	20	30		CFEDRM
C#C[C@H](CCCC)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231224790	777174430	/nfs/dbraw/zinc/17/44/30/777174430.db2.gz	QYKKWGVJTMTENA-SECBINFHSA-N	-1	0	294.263	2.779	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231347442	777197323	/nfs/dbraw/zinc/19/73/23/777197323.db2.gz	LIKGORZMFPMNAI-LLVKDONJSA-N	-1	0	286.331	2.915	20	30		CFEDRM
C=C1O[C@H](CC)C(=O)C1Oc1cccc([S-])c1	ZINC001226014391	777380653	/nfs/dbraw/zinc/38/06/53/777380653.db2.gz	TUHSIBAPXVVMSA-LLVKDONJSA-N	-1	0	250.319	2.964	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407151	777534389	/nfs/dbraw/zinc/53/43/89/777534389.db2.gz	LHVKHEOIYRQLLJ-JTQLQIEISA-N	-1	0	260.268	2.984	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H]2CCCOC2)c1[O-]	ZINC000126978403	777717864	/nfs/dbraw/zinc/71/78/64/777717864.db2.gz	QJZISEUUOCIQAU-KLLFSAEGSA-N	-1	0	298.726	2.799	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccccc2CCC(=O)[O-])CC1	ZINC000909548916	777814021	/nfs/dbraw/zinc/81/40/21/777814021.db2.gz	NBDOLZIECKJRNZ-UHFFFAOYSA-N	-1	0	287.359	2.742	20	30		CFEDRM
N#C[C@@H]1CC[C@@H](Oc2cc([O-])cc3occc(=O)c23)C1	ZINC001233827005	778088537	/nfs/dbraw/zinc/08/85/37/778088537.db2.gz	KZGNNCPFUVCBIB-MWLCHTKSSA-N	-1	0	271.272	2.570	20	30		CFEDRM
CCC#C[C@H](C)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835036	778090245	/nfs/dbraw/zinc/09/02/45/778090245.db2.gz	UUSGEMQUNSKWSF-JTQLQIEISA-N	-1	0	258.273	2.679	20	30		CFEDRM
C=C[C@@H](CCC)Oc1cc([O-])c(C(=O)OC)cc1[N+](=O)[O-]	ZINC001228813575	778199014	/nfs/dbraw/zinc/19/90/14/778199014.db2.gz	DEQCATXFBRGEDJ-VIFPVBQESA-N	-1	0	295.291	2.821	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234817552	778300996	/nfs/dbraw/zinc/30/09/96/778300996.db2.gz	DKBDXWNCLADVJU-BXUZGUMPSA-N	-1	0	284.311	2.988	20	30		CFEDRM
C#C[C@H](Oc1cc([O-])cc2oc(C)cc(=O)c12)C(C)C	ZINC001234820819	778302599	/nfs/dbraw/zinc/30/25/99/778302599.db2.gz	QXKDCUFABRILGY-ZDUSSCGKSA-N	-1	0	272.300	2.844	20	30		CFEDRM
N#Cc1cc(Nc2ccc3nc(N)ncc3c2)c([O-])cc1F	ZINC001213113813	778324148	/nfs/dbraw/zinc/32/41/48/778324148.db2.gz	VYEDCXOKDMPCKZ-UHFFFAOYSA-N	-1	0	295.277	2.672	20	30		CFEDRM
N#CCc1cccc(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235077924	778372525	/nfs/dbraw/zinc/37/25/25/778372525.db2.gz	NBIWRRWTCLIDPS-RMKNXTFCSA-N	-1	0	264.284	2.912	20	30		CFEDRM
N#Cc1cccc(CC(=O)Nc2cc(F)cc(F)c2O)c1	ZINC001142542846	778407634	/nfs/dbraw/zinc/40/76/34/778407634.db2.gz	VXJPKEMJPVXUAI-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(/C=C/C(=O)[O-])cc2)n1	ZINC001235267679	778440526	/nfs/dbraw/zinc/44/05/26/778440526.db2.gz	FMBHPQFYYKEQMJ-VMPITWQZSA-N	-1	0	279.299	2.675	20	30		CFEDRM
C[C@H](C#N)N(C)Cc1cc(F)cc(Br)c1[O-]	ZINC001235306293	778451973	/nfs/dbraw/zinc/45/19/73/778451973.db2.gz	SSNQWWHQGCYDRU-SSDOTTSWSA-N	-1	0	287.132	2.638	20	30		CFEDRM
CCCCCCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000128226208	778492413	/nfs/dbraw/zinc/49/24/13/778492413.db2.gz	AWSZRONZLIZQJV-UHFFFAOYSA-N	-1	0	273.340	2.842	20	30		CFEDRM
N#CCc1ccnc(-c2c(F)cc(F)c([O-])c2F)c1	ZINC001235988904	778642064	/nfs/dbraw/zinc/64/20/64/778642064.db2.gz	BQICUUOWSHWXDI-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1ccc(-c2c(F)cc(F)c([O-])c2F)nc1F	ZINC001235989854	778642874	/nfs/dbraw/zinc/64/28/74/778642874.db2.gz	KPHTUJMLDJTYRU-UHFFFAOYSA-N	-1	0	268.169	2.882	20	30		CFEDRM
N#CCc1ccc(-c2c(F)cc(F)c([O-])c2F)cn1	ZINC001235999072	778649949	/nfs/dbraw/zinc/64/99/49/778649949.db2.gz	WUWIIFPDGOLEFF-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(C(=O)[O-])cc3)ccc2[nH]1	ZINC001236057106	778671485	/nfs/dbraw/zinc/67/14/85/778671485.db2.gz	PXIVRCVAEFCVIK-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])cc3)cn12	ZINC001236064213	778677680	/nfs/dbraw/zinc/67/76/80/778677680.db2.gz	BVAIPJPIHVYHEC-UHFFFAOYSA-N	-1	0	263.256	2.571	20	30		CFEDRM
COC(=O)c1ccc(-c2c(F)ccc(C)c2[O-])c(C#N)n1	ZINC001236405931	778804888	/nfs/dbraw/zinc/80/48/88/778804888.db2.gz	LVIYPNLTRXGHIR-UHFFFAOYSA-N	-1	0	286.262	2.560	20	30		CFEDRM
N#Cc1ccc(-c2ccccc2S(=O)(=O)[O-])c(F)c1	ZINC001236526558	778861300	/nfs/dbraw/zinc/86/13/00/778861300.db2.gz	VZTQJGJCNBWZIK-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CC[C@@H]2CCCCO2)c1	ZINC000176393396	779122285	/nfs/dbraw/zinc/12/22/85/779122285.db2.gz	BOPSPRQLDPFOCH-LBPRGKRZSA-N	-1	0	274.320	2.552	20	30		CFEDRM
COc1ccccc1CCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176403174	779124613	/nfs/dbraw/zinc/12/46/13/779124613.db2.gz	BBKHXOREIHJNCL-UHFFFAOYSA-N	-1	0	296.326	2.844	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])nn1C(C)(C)C	ZINC000176406006	779125154	/nfs/dbraw/zinc/12/51/54/779125154.db2.gz	IIQIOTBGWYRSQF-UHFFFAOYSA-N	-1	0	298.346	2.776	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2cc(F)ccc2F)c1	ZINC000176407289	779125595	/nfs/dbraw/zinc/12/55/95/779125595.db2.gz	FWVYBGDWVDOBEW-UHFFFAOYSA-N	-1	0	288.253	2.723	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237521710	779125995	/nfs/dbraw/zinc/12/59/95/779125995.db2.gz	COFIOWQCCVJDRP-LBPRGKRZSA-N	-1	0	286.162	2.830	20	30		CFEDRM
N#C[C@H]1CCCCN1Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237539043	779128965	/nfs/dbraw/zinc/12/89/65/779128965.db2.gz	PVKPELHFSNTUGC-SECBINFHSA-N	-1	0	286.162	2.972	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(Cl)nc(Cl)c1[O-]	ZINC001237537596	779129025	/nfs/dbraw/zinc/12/90/25/779129025.db2.gz	JXWUQNVRCXBQBO-UHFFFAOYSA-N	-1	0	299.161	2.723	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798672	779180026	/nfs/dbraw/zinc/18/00/26/779180026.db2.gz	KUYQWLILISABDK-MRVPVSSYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
CSc1ncc(C#N)c(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235985803	779420639	/nfs/dbraw/zinc/42/06/39/779420639.db2.gz	PPYQPBNIUIWDDB-UHFFFAOYSA-N	-1	0	297.261	2.860	20	30		CFEDRM
N#CCc1cccc(-c2c(F)cc(F)c([O-])c2F)n1	ZINC001235986418	779421022	/nfs/dbraw/zinc/42/10/22/779421022.db2.gz	VUKQJJYNNPDRMH-UHFFFAOYSA-N	-1	0	264.206	2.938	20	30		CFEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])cc2F)cc1F	ZINC001239255915	779486368	/nfs/dbraw/zinc/48/63/68/779486368.db2.gz	FYQRRJAIHRUKLI-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])cc2F)cn1	ZINC001239257131	779487091	/nfs/dbraw/zinc/48/70/91/779487091.db2.gz	SEAGVXGSCUNDCD-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#CCOc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1	ZINC001239345931	779530853	/nfs/dbraw/zinc/53/08/53/779530853.db2.gz	RBNHMTVGWBCFRN-UHFFFAOYSA-N	-1	0	290.225	2.627	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C#N)c(C)n1	ZINC001240734114	780401237	/nfs/dbraw/zinc/40/12/37/780401237.db2.gz	PCJBZZBHBUFFBP-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(CC#N)nc1	ZINC001240735142	780402027	/nfs/dbraw/zinc/40/20/27/780402027.db2.gz	QMJMMILBRIMDCZ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ncc2c(c1C#N)CCC2	ZINC001240735857	780402901	/nfs/dbraw/zinc/40/29/01/780402901.db2.gz	WVNBMSPMTYLGKX-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc2ncc(C#N)n2c1	ZINC001240736369	780403164	/nfs/dbraw/zinc/40/31/64/780403164.db2.gz	CMJMBEVBUFDMRH-UHFFFAOYSA-N	-1	0	293.282	2.580	20	30		CFEDRM
COc1cc(-c2ccc(C#N)c(CC#N)c2)ccc1C(=O)[O-]	ZINC001240743161	780408474	/nfs/dbraw/zinc/40/84/74/780408474.db2.gz	GLKXRXCUBMLLPI-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2ccc(C(=O)[O-])s2)c1	ZINC001240847176	780472991	/nfs/dbraw/zinc/47/29/91/780472991.db2.gz	OAMLAGZKSPKSTL-UHFFFAOYSA-N	-1	0	287.296	2.772	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(CC(=O)[O-])cc2)c(C#N)c1	ZINC001240973691	780562651	/nfs/dbraw/zinc/56/26/51/780562651.db2.gz	PSVUNGNIEQMCST-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
N#Cc1c(F)ccnc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241244343	780723618	/nfs/dbraw/zinc/72/36/18/780723618.db2.gz	DQXOMQUTMSQXJC-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241243918	780727453	/nfs/dbraw/zinc/72/74/53/780727453.db2.gz	SYGHDMLWDLCSBO-UHFFFAOYSA-N	-1	0	288.278	2.854	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(F)c(C(=O)[O-])c3)ccc12	ZINC001241244576	780728943	/nfs/dbraw/zinc/72/89/43/780728943.db2.gz	QBCYXKWKVZFWBG-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)cnc1F	ZINC001241245878	780729613	/nfs/dbraw/zinc/72/96/13/780729613.db2.gz	ICDZHSAPIFOCSB-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001241245421	780730336	/nfs/dbraw/zinc/73/03/36/780730336.db2.gz	CGQHKFJMJIXPOM-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
N#CCc1ncccc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241247373	780732097	/nfs/dbraw/zinc/73/20/97/780732097.db2.gz	QWWDCMYLQZNBOZ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COC(=O)c1ccc(-c2c(F)ccc([O-])c2F)cc1C#N	ZINC001241291363	780761667	/nfs/dbraw/zinc/76/16/67/780761667.db2.gz	NNRTZERPJKDFJE-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2cccc(C(=O)[O-])c2)n1	ZINC001241357443	780806746	/nfs/dbraw/zinc/80/67/46/780806746.db2.gz	RONPPFVVIQZMNY-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
CCc1nnc(-c2cccc(C(=O)[O-])c2)c(C#N)c1CC	ZINC001241358405	780807612	/nfs/dbraw/zinc/80/76/12/780807612.db2.gz	YMYVRFVHDDHZPY-UHFFFAOYSA-N	-1	0	281.315	2.838	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1cccc(C(=O)[O-])c1	ZINC001241358439	780807867	/nfs/dbraw/zinc/80/78/67/780807867.db2.gz	OLWXLTGYMCWWEK-UHFFFAOYSA-N	-1	0	298.298	2.610	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2cccc(C(=O)[O-])c2)c1	ZINC001241359069	780809173	/nfs/dbraw/zinc/80/91/73/780809173.db2.gz	SKPZAEKJWFVPMR-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
C#C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C)(C)C	ZINC000702229606	780901268	/nfs/dbraw/zinc/90/12/68/780901268.db2.gz	VOEUVCXYYZOWFW-MRVPVSSYSA-N	-1	0	291.825	2.728	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000703734256	781053204	/nfs/dbraw/zinc/05/32/04/781053204.db2.gz	MWIDQWCKNQRCMC-NEPJUHHUSA-N	-1	0	255.358	2.574	20	30		CFEDRM
CO/N=C/c1cc(-c2cncc(C(=O)[O-])c2)cc(F)c1F	ZINC001241801502	781132696	/nfs/dbraw/zinc/13/26/96/781132696.db2.gz	GQLXQWVXMMVDKQ-CNHKJKLMSA-N	-1	0	292.241	2.705	20	30		CFEDRM
C/C(=N\O)c1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241801316	781132770	/nfs/dbraw/zinc/13/27/70/781132770.db2.gz	CFDBEDZQIOASDX-CXUHLZMHSA-N	-1	0	256.261	2.645	20	30		CFEDRM
O=C([O-])c1cncc(-c2ccc3c(c2)CC/C3=N/O)c1	ZINC001241801974	781133324	/nfs/dbraw/zinc/13/33/24/781133324.db2.gz	FUZKZGIYQJCEBN-VKAVYKQESA-N	-1	0	268.272	2.571	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241813703	781140876	/nfs/dbraw/zinc/14/08/76/781140876.db2.gz	ZMFCOHYNQKDABO-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)ncc1C#N	ZINC001241816191	781141778	/nfs/dbraw/zinc/14/17/78/781141778.db2.gz	CEVILEMGRNKDLL-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cc(F)cc(C(=O)[O-])c3)cn12	ZINC001241833561	781148415	/nfs/dbraw/zinc/14/84/15/781148415.db2.gz	BZIXUCDUVXEECT-UHFFFAOYSA-N	-1	0	281.246	2.710	20	30		CFEDRM
N#Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)cnc1F	ZINC001241833826	781148529	/nfs/dbraw/zinc/14/85/29/781148529.db2.gz	IJVZVXOVLGVOKK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(-c2ncc(C)cc2C#N)cc1C(=O)[O-]	ZINC001241856454	781155694	/nfs/dbraw/zinc/15/56/94/781155694.db2.gz	YKKNALLNRJVSRS-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2cccnc2CC#N)cc1C(=O)[O-]	ZINC001241880609	781162941	/nfs/dbraw/zinc/16/29/41/781162941.db2.gz	QVCGKHXDZGBGKG-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ncc(-c2cc(C(=O)[O-])cc(F)c2C)cc1C#N	ZINC001242208700	781327523	/nfs/dbraw/zinc/32/75/23/781327523.db2.gz	FHERJAKMBOTJPA-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1cc(C#N)c(-c2cccc(CC(=O)[O-])c2)nc1C	ZINC001242261755	781347269	/nfs/dbraw/zinc/34/72/69/781347269.db2.gz	LUHBMLGGFVPGAA-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1cccc(CC(=O)[O-])c1	ZINC001242262747	781348234	/nfs/dbraw/zinc/34/82/34/781348234.db2.gz	ZBNOGVWIBQINCZ-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2cccc(CC(=O)[O-])c2)c1	ZINC001242263412	781348548	/nfs/dbraw/zinc/34/85/48/781348548.db2.gz	CSPZWDKUGVDGQN-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
N#CCOc1ccccc1-c1cccc(CC(=O)[O-])c1	ZINC001242264350	781349420	/nfs/dbraw/zinc/34/94/20/781349420.db2.gz	ZTDZERASDVEUCV-UHFFFAOYSA-N	-1	0	267.284	2.883	20	30		CFEDRM
N#CCCc1ccc(-c2ccc(C(=O)[O-])nc2)cc1	ZINC001242335468	781406043	/nfs/dbraw/zinc/40/60/43/781406043.db2.gz	GBIOYZOFGGYTEO-UHFFFAOYSA-N	-1	0	252.273	2.903	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(C(=O)[O-])nc3)ccc12	ZINC001242336303	781407177	/nfs/dbraw/zinc/40/71/77/781407177.db2.gz	ILOKLJVLRDOPOE-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#CCc1c[nH]c2cccc(-c3ccc(C(=O)[O-])nc3)c12	ZINC001242338034	781409695	/nfs/dbraw/zinc/40/96/95/781409695.db2.gz	LTJOOQQLPLBZFL-UHFFFAOYSA-N	-1	0	277.283	2.994	20	30		CFEDRM
COC(=O)c1cc(-c2cccc(C(=O)[O-])c2F)ccc1C#N	ZINC001242379322	781448221	/nfs/dbraw/zinc/44/82/21/781448221.db2.gz	ANTMNXPSUGMLLO-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ncc(C)cc1C#N	ZINC001242387400	781456336	/nfs/dbraw/zinc/45/63/36/781456336.db2.gz	LJJUEAJVPJEQBP-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccccc1OCC#N	ZINC001242391543	781460077	/nfs/dbraw/zinc/46/00/77/781460077.db2.gz	VNPKRNBJMDZHTN-UHFFFAOYSA-N	-1	0	283.283	2.963	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C#N)cc(C#N)c1	ZINC001242391117	781460418	/nfs/dbraw/zinc/46/04/18/781460418.db2.gz	CYQIBSHFJCRCMT-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
COc1cccc(-c2ccc([O-])c(C#N)c2)c1C#N	ZINC001242565250	781604926	/nfs/dbraw/zinc/60/49/26/781604926.db2.gz	STBKYJDCQVKGQD-UHFFFAOYSA-N	-1	0	250.257	2.811	20	30		CFEDRM
N#Cc1cc(Cl)cc(-c2cccc(S(=O)(=O)[O-])n2)c1	ZINC001242567145	781606335	/nfs/dbraw/zinc/60/63/35/781606335.db2.gz	GYWGRXHBRMTGSZ-UHFFFAOYSA-N	-1	0	294.719	2.520	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1cccc([O-])c1Cl	ZINC001242799566	781765040	/nfs/dbraw/zinc/76/50/40/781765040.db2.gz	RNYVAKNRGCNXPH-UHFFFAOYSA-N	-1	0	270.679	2.554	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccccc3C(=O)[O-])c1-2	ZINC001242878991	781817874	/nfs/dbraw/zinc/81/78/74/781817874.db2.gz	KQYAOCRVBLNQSR-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3ccccc3C(=O)[O-])c2c1	ZINC001242878077	781818325	/nfs/dbraw/zinc/81/83/25/781818325.db2.gz	VXTDZFRPLUTHGN-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1cnc(-c2ccccc2C(=O)[O-])c(/C=N/O)c1	ZINC001242879568	781819393	/nfs/dbraw/zinc/81/93/93/781819393.db2.gz	VGGZMPBFFUTEIW-LZYBPNLTSA-N	-1	0	256.261	2.563	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccccc3C(=O)[O-])cc12	ZINC001242879808	781819448	/nfs/dbraw/zinc/81/94/48/781819448.db2.gz	ICEZQWHEUDRTKF-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(C#N)c(CC#N)c1	ZINC001242922491	781843315	/nfs/dbraw/zinc/84/33/15/781843315.db2.gz	LCDYWSZNAQAZHE-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C#N)cc(C#N)c1	ZINC001242923343	781845313	/nfs/dbraw/zinc/84/53/13/781845313.db2.gz	KAQSTVUAHSHUCJ-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1c(C)ccnc1C#N	ZINC001242927359	781849230	/nfs/dbraw/zinc/84/92/30/781849230.db2.gz	QLZNXOXEVUSWQT-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C=CCCSCCNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000594661495	349471084	/nfs/dbraw/zinc/47/10/84/349471084.db2.gz	NIIIKHXYCNVAIF-UHFFFAOYSA-N	-1	0	299.436	2.837	20	30		CFEDRM
C[C@@H]1CCCN(C(=O)CC2(C#N)CCCCC2)[C@@H]1C(=O)[O-]	ZINC000595281410	349590009	/nfs/dbraw/zinc/59/00/09/349590009.db2.gz	KYYZDTWGFYTYHU-OCCSQVGLSA-N	-1	0	292.379	2.562	20	30		CFEDRM
CCC(CC)(CNC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595281848	349589843	/nfs/dbraw/zinc/58/98/43/349589843.db2.gz	SOWPXGSDFDZMHA-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1ncc(C#N)cc1F)C(=O)[O-]	ZINC000595970383	349773137	/nfs/dbraw/zinc/77/31/37/349773137.db2.gz	WTDQXSCUYCVSLL-NSHDSACASA-N	-1	0	279.315	2.784	20	30		CFEDRM
N#Cc1c(C(F)F)cccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000595966118	349773160	/nfs/dbraw/zinc/77/31/60/349773160.db2.gz	MYOKTUVHGGNGKI-VIFPVBQESA-N	-1	0	280.274	2.797	20	30		CFEDRM
N#Cc1nc(NC[C@@H]2CCCC2(F)F)sc1Cl	ZINC000596254664	349841874	/nfs/dbraw/zinc/84/18/74/349841874.db2.gz	LUUMFFCFBMOBRJ-LURJTMIESA-N	-1	0	277.727	2.937	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1	ZINC000076756890	347151848	/nfs/dbraw/zinc/15/18/48/347151848.db2.gz	HWAZAUZBUORXOE-BJMVGYQFSA-N	-1	0	295.360	2.697	20	30		CFEDRM
CC(C)[C@H](CNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000087506542	347496003	/nfs/dbraw/zinc/49/60/03/347496003.db2.gz	IASBKZCXJBQENJ-ZDUSSCGKSA-N	-1	0	283.331	2.875	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)cc1C	ZINC000084844135	347475832	/nfs/dbraw/zinc/47/58/32/347475832.db2.gz	WGOWERCGJAWDOH-UHFFFAOYSA-N	-1	0	281.377	2.995	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C=Cc1ccc([C@@H]2C[C@@H]2C)o1	ZINC000089285835	347515468	/nfs/dbraw/zinc/51/54/68/347515468.db2.gz	AWLSNIDWKPRMPX-LCMYJQKYSA-N	-1	0	295.360	2.889	20	30		CFEDRM
CC(C)C[C@H](CNc1cccc(C#N)n1)CC(=O)[O-]	ZINC000088274424	347500915	/nfs/dbraw/zinc/50/09/15/347500915.db2.gz	CPHAZDNMTOKCSL-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c(-c3ccccc3)cc2=O)c1	ZINC000102361915	347717621	/nfs/dbraw/zinc/71/76/21/347717621.db2.gz	OUGGQQBMZWCBGE-UHFFFAOYSA-N	-1	0	261.284	2.699	20	30		CFEDRM
C=CCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000135979640	347908720	/nfs/dbraw/zinc/90/87/20/347908720.db2.gz	NETVPOXKLBXGFS-UHFFFAOYSA-N	-1	0	264.281	2.695	20	30		CFEDRM
C=CCSCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000231951379	348209540	/nfs/dbraw/zinc/20/95/40/348209540.db2.gz	ALJOCKRGMDUPJY-UHFFFAOYSA-N	-1	0	282.321	2.624	20	30		CFEDRM
C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[C@H]1C(=O)[O-]	ZINC000302566049	348374309	/nfs/dbraw/zinc/37/43/09/348374309.db2.gz	ZTSUDZFKEPKQGZ-NXEZZACHSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CC[C@@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000397585694	348562416	/nfs/dbraw/zinc/56/24/16/348562416.db2.gz	HDGXXWHNZWVUOY-QMMMGPOBSA-N	-1	0	298.264	2.575	20	30		CFEDRM
C=CC[C@@H](CO)CN=c1nc(C2CCCCC2)[n-]s1	ZINC000420610769	348608794	/nfs/dbraw/zinc/60/87/94/348608794.db2.gz	MKXWTMLEURYMLZ-LLVKDONJSA-N	-1	0	281.425	2.604	20	30		CFEDRM
C=CCN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000518215643	348643410	/nfs/dbraw/zinc/64/34/10/348643410.db2.gz	XLIOKTXCKXYOAO-UHFFFAOYSA-N	-1	0	298.264	2.953	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)s1)c1ccccn1	ZINC000591862701	349051614	/nfs/dbraw/zinc/05/16/14/349051614.db2.gz	ZERUGEPILWQUOI-JTQLQIEISA-N	-1	0	269.329	2.906	20	30		CFEDRM
CCCN(CC(=O)[O-])c1nc(C(C)(C)C)ccc1C#N	ZINC000591325302	349009094	/nfs/dbraw/zinc/00/90/94/349009094.db2.gz	PYQHUUYUEDNDDE-UHFFFAOYSA-N	-1	0	275.352	2.552	20	30		CFEDRM
CC[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C(=O)[O-]	ZINC000591326817	349009912	/nfs/dbraw/zinc/00/99/12/349009912.db2.gz	XRFHVMSYPOJWLP-SNVBAGLBSA-N	-1	0	261.325	2.526	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000591531352	349028978	/nfs/dbraw/zinc/02/89/78/349028978.db2.gz	UPHDLGPFWJIAOK-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
N#CCC1(CNc2ncc(C(=O)[O-])cc2Cl)CC1	ZINC000592421719	349118615	/nfs/dbraw/zinc/11/86/15/349118615.db2.gz	VNJODWHAUVJQSU-UHFFFAOYSA-N	-1	0	265.700	2.539	20	30		CFEDRM
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000592947032	349178351	/nfs/dbraw/zinc/17/83/51/349178351.db2.gz	OQFCCALKXLRRLQ-WDEREUQCSA-N	-1	0	286.379	2.591	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1nc(C(C)(C)C)ccc1C#N	ZINC000593327545	349248228	/nfs/dbraw/zinc/24/82/28/349248228.db2.gz	OMOAMLNNXMRKPI-LLVKDONJSA-N	-1	0	275.352	2.550	20	30		CFEDRM
CC[C@H](C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000593707783	349312959	/nfs/dbraw/zinc/31/29/59/349312959.db2.gz	QNIJCCLLKASUDT-ZCFIWIBFSA-N	-1	0	256.664	2.673	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCCC1	ZINC000593773157	349322797	/nfs/dbraw/zinc/32/27/97/349322797.db2.gz	ALMZFOBBTIXXKJ-UHFFFAOYSA-N	-1	0	296.729	2.998	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1cc(Cl)ccc1O)C1CC1	ZINC000598125224	350201748	/nfs/dbraw/zinc/20/17/48/350201748.db2.gz	HJPZQRFZGWXEGS-MRVPVSSYSA-N	-1	0	264.712	2.562	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1	ZINC000598139172	350209871	/nfs/dbraw/zinc/20/98/71/350209871.db2.gz	XRBULJDDWYTRPB-SSDOTTSWSA-N	-1	0	282.702	2.701	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)C2CC(C)(C)CC(C)(C)C2)c1C#N	ZINC000598700574	350312818	/nfs/dbraw/zinc/31/28/18/350312818.db2.gz	PDFGHLNAOLDEEF-UHFFFAOYSA-N	-1	0	288.395	2.803	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)C1CC2(C1)CCCCC2	ZINC000598734748	350323197	/nfs/dbraw/zinc/32/31/97/350323197.db2.gz	MAKCRNXAKKKZRE-UHFFFAOYSA-N	-1	0	298.390	2.880	20	30		CFEDRM
CC(C)c1cccc(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1	ZINC000598734716	350323386	/nfs/dbraw/zinc/32/33/86/350323386.db2.gz	KLSPLOCBVQMIGS-UHFFFAOYSA-N	-1	0	294.358	2.956	20	30		CFEDRM
N#CC[C@@H]1CC[C@H](N=c2[n-]c(-c3ccc(F)cc3)no2)C1	ZINC000599082243	350372410	/nfs/dbraw/zinc/37/24/10/350372410.db2.gz	CSCNXVKWVHFDOG-GWCFXTLKSA-N	-1	0	286.310	2.792	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(CSC)cc1)C(=O)[O-]	ZINC000600876129	350622113	/nfs/dbraw/zinc/62/21/13/350622113.db2.gz	WPFWECNHPJTXIR-ZDUSSCGKSA-N	-1	0	293.388	2.699	20	30		CFEDRM
C[C@@H]1CN(c2c(Cl)cccc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000600802127	350614327	/nfs/dbraw/zinc/61/43/27/350614327.db2.gz	SMEAFXVMHPGGDC-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(F)c2O)CC2(CC2)C1	ZINC000601683116	350758565	/nfs/dbraw/zinc/75/85/65/350758565.db2.gz	JLMVXGWZMBLIIC-UHFFFAOYSA-N	-1	0	260.268	2.554	20	30		CFEDRM
Cc1[n-]n(-c2cccc(C(F)(F)F)n2)c(=O)c1CCC#N	ZINC000601946669	350814295	/nfs/dbraw/zinc/81/42/95/350814295.db2.gz	OYUWPOVRLDSHEX-VIFPVBQESA-N	-1	0	296.252	2.743	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C)c(F)c2)c(=O)c1CCC#N	ZINC000601948034	350815583	/nfs/dbraw/zinc/81/55/83/350815583.db2.gz	IKGZAGANSQWGLA-LBPRGKRZSA-N	-1	0	259.284	2.777	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cscc1Cl	ZINC000601737316	350769677	/nfs/dbraw/zinc/76/96/77/350769677.db2.gz	NOYHNMRNUGZHFR-UHFFFAOYSA-N	-1	0	292.751	2.548	20	30		CFEDRM
CC(C)CC1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCC1	ZINC000601737202	350770036	/nfs/dbraw/zinc/77/00/36/350770036.db2.gz	KSVMMLKFKPDDMZ-UHFFFAOYSA-N	-1	0	286.379	2.736	20	30		CFEDRM
CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCC[C@H]1C#N	ZINC000601815391	350783136	/nfs/dbraw/zinc/78/31/36/350783136.db2.gz	FHQPYTMQJSUXPC-XVKPBYJWSA-N	-1	0	298.264	2.574	20	30		CFEDRM
CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCC[C@@H]1C#N	ZINC000601821766	350785928	/nfs/dbraw/zinc/78/59/28/350785928.db2.gz	SXNHMOTZRVUZDT-PELKAZGASA-N	-1	0	296.729	2.949	20	30		CFEDRM
CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCC[C@H]1C#N	ZINC000601821770	350786042	/nfs/dbraw/zinc/78/60/42/350786042.db2.gz	SXNHMOTZRVUZDT-QPUJVOFHSA-N	-1	0	296.729	2.949	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3ccc(C#N)cc3)c(=O)c2C1	ZINC000601932929	350806283	/nfs/dbraw/zinc/80/62/83/350806283.db2.gz	VBPBUPRIBRKFCF-ZWNOBZJWSA-N	-1	0	253.305	2.697	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000601987137	350823880	/nfs/dbraw/zinc/82/38/80/350823880.db2.gz	RPCGYYVSIJXUHK-UHFFFAOYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
Cc1[n-]n(-c2nccc3sccc32)c(=O)c1CCC#N	ZINC000601939304	350810305	/nfs/dbraw/zinc/81/03/05/350810305.db2.gz	NFNMCSHUTFKEFN-SNVBAGLBSA-N	-1	0	284.344	2.939	20	30		CFEDRM
CCC(CC)n1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601939841	350810485	/nfs/dbraw/zinc/81/04/85/350810485.db2.gz	OPNCBIAOADEOOU-UHFFFAOYSA-N	-1	0	255.321	2.683	20	30		CFEDRM
Cc1[n-]n(-c2ccnc3ccccc32)c(=O)c1CCC#N	ZINC000601938845	350810546	/nfs/dbraw/zinc/81/05/46/350810546.db2.gz	KPTJIQAXPBJJKA-GFCCVEGCSA-N	-1	0	278.315	2.877	20	30		CFEDRM
Cc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1CCC#N	ZINC000601941006	350811346	/nfs/dbraw/zinc/81/13/46/350811346.db2.gz	WMOUJRGRDRWXMN-JSGCOSHPSA-N	-1	0	255.321	2.886	20	30		CFEDRM
C=CCn1c(SCCC(C)(C)CC)n[n-]c1=N	ZINC000608101846	351402502	/nfs/dbraw/zinc/40/25/02/351402502.db2.gz	AJHILGPZAWDGHF-UHFFFAOYSA-N	-1	0	254.403	2.795	20	30		CFEDRM
CC[C@@H](C)CCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000612390632	351813254	/nfs/dbraw/zinc/81/32/54/351813254.db2.gz	HEACOBZNXGVBFK-SNVBAGLBSA-N	-1	0	273.340	2.698	20	30		CFEDRM
C[C@H](N=c1nc(C(C)(C)C)o[n-]1)c1cccc(C#N)c1	ZINC000612661188	351848677	/nfs/dbraw/zinc/84/86/77/351848677.db2.gz	SRLKHWZLYAVLQY-JTQLQIEISA-N	-1	0	270.336	2.834	20	30		CFEDRM
CO[C@@H](C)c1nc(=N[C@@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000619745006	353062600	/nfs/dbraw/zinc/06/26/00/353062600.db2.gz	ZNXFPUYMPGBJGJ-UWVGGRQHSA-N	-1	0	288.376	2.712	20	30		CFEDRM
CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C	ZINC000619753826	353063783	/nfs/dbraw/zinc/06/37/83/353063783.db2.gz	RMPUARLLOCAVFU-JTQLQIEISA-N	-1	0	294.314	2.614	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cc(F)cc2n[nH]nc21	ZINC000620856929	353241306	/nfs/dbraw/zinc/24/13/06/353241306.db2.gz	GINOWQQOPLNDLE-UHFFFAOYSA-N	-1	0	276.315	2.572	20	30		CFEDRM
C=CCOCCN=c1nc(-c2ccccc2C)[n-]s1	ZINC000624092598	353802398	/nfs/dbraw/zinc/80/23/98/353802398.db2.gz	UUOQBOJGIGNPGH-UHFFFAOYSA-N	-1	0	275.377	2.550	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ocnc2C(F)F)n1	ZINC000626283232	354244195	/nfs/dbraw/zinc/24/41/95/354244195.db2.gz	KXCBEQSIUFNXSG-ZCFIWIBFSA-N	-1	0	283.259	2.867	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1	ZINC000626302807	354247497	/nfs/dbraw/zinc/24/74/97/354247497.db2.gz	QLQLEDDUAYKEPA-NSHDSACASA-N	-1	0	294.314	2.843	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)N=c2[n-]nc(CC(C)C)s2)C1	ZINC000626207548	354231283	/nfs/dbraw/zinc/23/12/83/354231283.db2.gz	KUINPNDKKOZCSR-NSHDSACASA-N	-1	0	294.424	2.588	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000630229003	355030340	/nfs/dbraw/zinc/03/03/40/355030340.db2.gz	KAYRLHALPCYQKI-UHFFFAOYSA-N	-1	0	261.321	2.717	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630248042	355033241	/nfs/dbraw/zinc/03/32/41/355033241.db2.gz	QPWAAIHRAZCYDJ-BLLLJJGKSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630181066	355024261	/nfs/dbraw/zinc/02/42/61/355024261.db2.gz	GZOYZHHEBNJLSE-AVGNSLFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)[O-]	ZINC000630182682	355024288	/nfs/dbraw/zinc/02/42/88/355024288.db2.gz	PTBSOIABJVZMEC-JTQLQIEISA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630181639	355024320	/nfs/dbraw/zinc/02/43/20/355024320.db2.gz	JPJMNJPMTJOXEJ-RYUDHWBXSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)CC(C)(C)C(=O)[O-]	ZINC000630312950	355048689	/nfs/dbraw/zinc/04/86/89/355048689.db2.gz	CLLNROHQCSYGFA-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000630321300	355050811	/nfs/dbraw/zinc/05/08/11/355050811.db2.gz	HKNNVILDEAIVOG-CQSZACIVSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CC(=C)C)C(=O)[O-])c1ccccc1	ZINC000630320298	355050988	/nfs/dbraw/zinc/05/09/88/355050988.db2.gz	SLZYKTREUYUBCG-UKRRQHHQSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(=O)[O-]	ZINC000630320771	355051023	/nfs/dbraw/zinc/05/10/23/355051023.db2.gz	BOJLMKSRBNYANF-UPJWGTAASA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCC[C@H]1CCC)C(=O)[O-]	ZINC000630322148	355051480	/nfs/dbraw/zinc/05/14/80/355051480.db2.gz	QAPMSKGZZHLHBR-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-]	ZINC000630323905	355051561	/nfs/dbraw/zinc/05/15/61/355051561.db2.gz	BLDKULKTYJAXIX-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000630322906	355051722	/nfs/dbraw/zinc/05/17/22/355051722.db2.gz	XQOGHLXPNQMOFE-GXFFZTMASA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000630326451	355052404	/nfs/dbraw/zinc/05/24/04/355052404.db2.gz	QGMHKQWYDKFQSV-RDFMZFSFSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000630325830	355052529	/nfs/dbraw/zinc/05/25/29/355052529.db2.gz	MLANLHRDMPWGPN-RISCZKNCSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000630326981	355052968	/nfs/dbraw/zinc/05/29/68/355052968.db2.gz	UTDBIMJKCZVRLT-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000630327165	355053187	/nfs/dbraw/zinc/05/31/87/355053187.db2.gz	XRGJHRCDCKRRHZ-NSHDSACASA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(C)c(F)c1)C(=O)[O-]	ZINC000630545781	355108076	/nfs/dbraw/zinc/10/80/76/355108076.db2.gz	PODXDPIOLNWMJY-LBPRGKRZSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000630467726	355090807	/nfs/dbraw/zinc/09/08/07/355090807.db2.gz	HELJRHOLJNWFND-LBPRGKRZSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1ccc(C)cc1C)C(=O)[O-]	ZINC000630470004	355091323	/nfs/dbraw/zinc/09/13/23/355091323.db2.gz	QSRNNJZZTBJLJN-CQSZACIVSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000630483745	355092885	/nfs/dbraw/zinc/09/28/85/355092885.db2.gz	RZFRGMRQRFHYJW-LLVKDONJSA-N	-1	0	296.392	2.775	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630484200	355092999	/nfs/dbraw/zinc/09/29/99/355092999.db2.gz	UHRFCBWHJGGMSS-CQSZACIVSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N[C@](C)(C(=O)[O-])C1CC1	ZINC000630496153	355095042	/nfs/dbraw/zinc/09/50/42/355095042.db2.gz	XYDOZRBUKIDDKN-HNNXBMFYSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(C)c1C)C(=O)[O-]	ZINC000630951546	355225872	/nfs/dbraw/zinc/22/58/72/355225872.db2.gz	LSOHFTOBGAYOAE-CYBMUJFWSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=CC(C)(C)CNS(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000632409989	355698883	/nfs/dbraw/zinc/69/88/83/355698883.db2.gz	QVIRBQKSZMDPGZ-UHFFFAOYSA-N	-1	0	289.784	2.536	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cccc(Br)c1[O-]	ZINC000679244837	540552698	/nfs/dbraw/zinc/55/26/98/540552698.db2.gz	HRXZBOCFVXXPRN-UHFFFAOYSA-N	-1	0	284.153	2.803	20	30		CFEDRM
CON(CC(C)(C)C)C(=O)N=c1s[n-]c(C)c1C#N	ZINC000297479623	200205132	/nfs/dbraw/zinc/20/51/32/200205132.db2.gz	SBIDWMFENOLNLM-UHFFFAOYSA-N	-1	0	282.369	2.765	20	30		CFEDRM
N#Cc1c(F)ccc(CN=c2[n-]nc(C3CC3)o2)c1Cl	ZINC000432416089	240002151	/nfs/dbraw/zinc/00/21/51/240002151.db2.gz	FNNBDGDONILZFN-UHFFFAOYSA-N	-1	0	292.701	2.645	20	30		CFEDRM
COc1ccsc1C=C(C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435336518	240303713	/nfs/dbraw/zinc/30/37/13/240303713.db2.gz	PGHBFADGQCVGEB-SOFGYWHQSA-N	-1	0	287.344	2.581	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(O)c(F)c1	ZINC000436528166	240459002	/nfs/dbraw/zinc/45/90/02/240459002.db2.gz	GNLVGARZTOBNHH-RJRFIUFISA-N	-1	0	284.246	2.667	20	30		CFEDRM
Cc1cc(CN=c2[n-]nc(CCC(C)C)o2)ccc1C#N	ZINC000446968609	241342776	/nfs/dbraw/zinc/34/27/76/241342776.db2.gz	YVNUQFHJJRVFAB-UHFFFAOYSA-N	-1	0	284.363	2.872	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)c(C)c1	ZINC000002454750	371727974	/nfs/dbraw/zinc/72/79/74/371727974.db2.gz	UJDZSMXHAKVFNN-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc([O-])c(Cl)c1	ZINC000019836631	372193762	/nfs/dbraw/zinc/19/37/62/372193762.db2.gz	USBQCTLRTGDYRP-UHFFFAOYSA-N	-1	0	251.713	2.860	20	30		CFEDRM
CCCN(CC(=O)[O-])c1ccc(C#N)c(C(F)(F)F)c1	ZINC000038021304	372772832	/nfs/dbraw/zinc/77/28/32/372772832.db2.gz	ODWXRQWHQKQDNE-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
N#CC(=C([O-])c1ccco1)c1nc2ccccc2o1	ZINC000041546294	372847933	/nfs/dbraw/zinc/84/79/33/372847933.db2.gz	IJLUYNMVDYUTOF-SECBINFHSA-N	-1	0	252.229	2.911	20	30		CFEDRM
Cc1c(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)ccn1C(C)C	ZINC000451705725	383687404	/nfs/dbraw/zinc/68/74/04/383687404.db2.gz	ZCRPZWKBCVDJCQ-UHFFFAOYSA-N	-1	0	297.362	2.524	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1C	ZINC000046929701	373069909	/nfs/dbraw/zinc/06/99/09/373069909.db2.gz	YAMMODMTUCOJFZ-UHFFFAOYSA-N	-1	0	269.366	2.995	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000062933445	373774604	/nfs/dbraw/zinc/77/46/04/373774604.db2.gz	MYDSMFTXANJQTI-ZDUSSCGKSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1ccc(N2CCC(C(=O)[O-])CC2)cc1Cl	ZINC000061845238	373732219	/nfs/dbraw/zinc/73/22/19/373732219.db2.gz	QIHHHVWJAXZWBG-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1ccccn1	ZINC000073969770	374397762	/nfs/dbraw/zinc/39/77/62/374397762.db2.gz	SOUCDYKNPUMFKC-CQSZACIVSA-N	-1	0	288.310	2.757	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c(F)c1	ZINC000075040201	374456031	/nfs/dbraw/zinc/45/60/31/374456031.db2.gz	IAHDGSNKEPWLSV-UHFFFAOYSA-N	-1	0	285.340	2.970	20	30		CFEDRM
CC(C)[C@@H](C)SCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000079077582	374590978	/nfs/dbraw/zinc/59/09/78/374590978.db2.gz	YUXMQLQDBWGYCV-SECBINFHSA-N	-1	0	276.365	2.584	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1Cc2c1cccc2Cl	ZINC000529511246	383714839	/nfs/dbraw/zinc/71/48/39/383714839.db2.gz	HOJISANEVCLOMZ-LLVKDONJSA-N	-1	0	251.713	2.604	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1c(C)noc1-c1ccccc1	ZINC000126572860	377235699	/nfs/dbraw/zinc/23/56/99/377235699.db2.gz	GGWBRJIIQCYKLS-UHFFFAOYSA-N	-1	0	292.360	2.968	20	30		CFEDRM
C[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[nH]2)[C@@H]1C	ZINC000329902221	378511887	/nfs/dbraw/zinc/51/18/87/378511887.db2.gz	HNFJSVACXSKWOH-HLTSFMKQSA-N	-1	0	254.355	2.978	20	30		CFEDRM
C=CCN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000154162689	378544389	/nfs/dbraw/zinc/54/43/89/378544389.db2.gz	VCMBAZKERYZDHH-UHFFFAOYSA-N	-1	0	260.120	2.957	20	30		CFEDRM
N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1ccccn1	ZINC000165463756	379040099	/nfs/dbraw/zinc/04/00/99/379040099.db2.gz	YXTMCGWDOUXLBY-GXFFZTMASA-N	-1	0	299.355	2.880	20	30		CFEDRM
N#Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c[nH]1	ZINC000335370189	379176150	/nfs/dbraw/zinc/17/61/50/379176150.db2.gz	PVWXWWBOKRYMOH-UHFFFAOYSA-N	-1	0	279.658	2.637	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCCC2(F)F)[n-]1	ZINC000334514563	379432570	/nfs/dbraw/zinc/43/25/70/379432570.db2.gz	ZRJKSOIKQLONOS-LLVKDONJSA-N	-1	0	296.321	2.522	20	30		CFEDRM
CC(C)(C)C[C@@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000172156719	379505300	/nfs/dbraw/zinc/50/53/00/379505300.db2.gz	FDUJDKKBKKMULC-AZZDOICSSA-N	-1	0	280.324	2.516	20	30		CFEDRM
C=C[C@H]1CCCCN1Cc1nc(=O)c2sccc2[n-]1	ZINC000335781600	379878096	/nfs/dbraw/zinc/87/80/96/379878096.db2.gz	MTROZIZWSRROPX-JTQLQIEISA-N	-1	0	275.377	2.937	20	30		CFEDRM
C=CCC(C)(C)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529695586	383747462	/nfs/dbraw/zinc/74/74/62/383747462.db2.gz	AUKLTJKYTGTROD-UHFFFAOYSA-N	-1	0	265.382	2.552	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1C#N	ZINC000181147401	380748082	/nfs/dbraw/zinc/74/80/82/380748082.db2.gz	HSHHBXAMCPAYBM-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1	ZINC000359276143	381324004	/nfs/dbraw/zinc/32/40/04/381324004.db2.gz	MGMDZSPITWWORE-UHFFFAOYSA-N	-1	0	290.326	2.566	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000342563365	381399561	/nfs/dbraw/zinc/39/95/61/381399561.db2.gz	ZPFIWTBZAVKGQH-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
C[C@H](CC(C)(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359723901	381580297	/nfs/dbraw/zinc/58/02/97/381580297.db2.gz	KCPVCBJSCPTULI-SECBINFHSA-N	-1	0	274.368	2.591	20	30		CFEDRM
C=CCCC1(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)CC1	ZINC000359833208	381631557	/nfs/dbraw/zinc/63/15/57/381631557.db2.gz	FQGXHAHTQFMBFG-UHFFFAOYSA-N	-1	0	273.258	2.535	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1ccc(OCC(=O)[O-])cc1	ZINC000349105798	381823875	/nfs/dbraw/zinc/82/38/75/381823875.db2.gz	HJJUVMWGLIRHOM-RJRFIUFISA-N	-1	0	280.283	2.587	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361522844	381837917	/nfs/dbraw/zinc/83/79/17/381837917.db2.gz	BVVPLZARUMFXFJ-SNVBAGLBSA-N	-1	0	292.298	2.670	20	30		CFEDRM
C=CCOCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000361324408	381819985	/nfs/dbraw/zinc/81/99/85/381819985.db2.gz	NLNUYXKSVYLKAT-UHFFFAOYSA-N	-1	0	276.119	2.840	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)Cc1ccccc1F	ZINC000186625876	381968110	/nfs/dbraw/zinc/96/81/10/381968110.db2.gz	KBBCOSAZBBZSEN-UHFFFAOYSA-N	-1	0	290.319	2.639	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCC(C)(C)C#N)s1	ZINC000343834063	381972238	/nfs/dbraw/zinc/97/22/38/381972238.db2.gz	HBXNKPIGQWQEBB-UHFFFAOYSA-N	-1	0	268.411	2.590	20	30		CFEDRM
CC(=Cc1cccc(F)c1C#N)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000357077002	381999878	/nfs/dbraw/zinc/99/98/78/381999878.db2.gz	IWCYAZJLTZEMGX-TWGQIWQCSA-N	-1	0	294.289	2.521	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC(c2n[n-]c(=S)o2)CC1	ZINC000373346621	381983706	/nfs/dbraw/zinc/98/37/06/381983706.db2.gz	RNHUARYYOOYSJH-JTQLQIEISA-N	-1	0	295.408	2.667	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2coc3cc(C)c(C)cc23)c1C#N	ZINC000357244552	382074615	/nfs/dbraw/zinc/07/46/15/382074615.db2.gz	ORMCVYBGSCPMDO-UHFFFAOYSA-N	-1	0	294.314	2.627	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1O	ZINC000357689968	382279962	/nfs/dbraw/zinc/27/99/62/382279962.db2.gz	FOFJYFHEAWNCQI-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
COc1cc(C)ccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188341903	382396747	/nfs/dbraw/zinc/39/67/47/382396747.db2.gz	DQYSHBNKZQVJOH-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
CC(C)Oc1ncccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188321740	382392460	/nfs/dbraw/zinc/39/24/60/382392460.db2.gz	AIPQMMZGWTXGMG-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1cccc(OCC)c1)C(=O)[O-]	ZINC000316152343	382529105	/nfs/dbraw/zinc/52/91/05/382529105.db2.gz	UNMPDGWBXYRAHT-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccccc1	ZINC000188879874	382498764	/nfs/dbraw/zinc/49/87/64/382498764.db2.gz	ZRYZKTDJHZDWPL-LSDHHAIUSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C\c1cccc(C)c1)C(=O)[O-]	ZINC000316729974	382529712	/nfs/dbraw/zinc/52/97/12/382529712.db2.gz	YXOATRAUMGBSSO-CMUBDUJZSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C\c1ccccc1C)C(=O)[O-]	ZINC000316729870	382529901	/nfs/dbraw/zinc/52/99/01/382529901.db2.gz	YVXZMQQGDVPBHS-BMSUMIBZSA-N	-1	0	273.332	2.544	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)[n-]1	ZINC000366639504	382536671	/nfs/dbraw/zinc/53/66/71/382536671.db2.gz	TVAOEFQDCJMYLM-ZYHUDNBSSA-N	-1	0	298.346	2.726	20	30		CFEDRM
N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1ccccn1	ZINC000190832940	382681801	/nfs/dbraw/zinc/68/18/01/382681801.db2.gz	FBVFARLMBPIYFO-LBPRGKRZSA-N	-1	0	280.331	2.564	20	30		CFEDRM
C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C(=O)[O-]	ZINC000575180766	382730131	/nfs/dbraw/zinc/73/01/31/382730131.db2.gz	BJLBTLKOFQJNLY-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000194722233	382753249	/nfs/dbraw/zinc/75/32/49/382753249.db2.gz	OUAIIAKFXFVUKX-ZETCQYMHSA-N	-1	0	257.692	2.879	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1C#N	ZINC000577054063	382845605	/nfs/dbraw/zinc/84/56/05/382845605.db2.gz	WRFJBCBORSFCME-KBPBESRZSA-N	-1	0	294.358	2.534	20	30		CFEDRM
CCC(CC)(CC(=O)NCc1ccc(C#N)s1)C(=O)[O-]	ZINC000421809744	382929307	/nfs/dbraw/zinc/92/93/07/382929307.db2.gz	VUKQDAMLMFXWNU-UHFFFAOYSA-N	-1	0	294.376	2.517	20	30		CFEDRM
COC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2ccccc2O)C1	ZINC000495471633	382990005	/nfs/dbraw/zinc/99/00/05/382990005.db2.gz	ALQYKMJJDAQXJZ-NAGLPPCWSA-N	-1	0	290.363	2.678	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1ccc(CC)c(F)c1)C(=O)[O-]	ZINC000580758762	383080425	/nfs/dbraw/zinc/08/04/25/383080425.db2.gz	LQVJXPXPVMTECM-CYBMUJFWSA-N	-1	0	294.326	2.929	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)Sc1ccccc1)C(=O)[O-]	ZINC000448993795	383124861	/nfs/dbraw/zinc/12/48/61/383124861.db2.gz	NJVFLACGRWEKOJ-AAEUAGOBSA-N	-1	0	293.388	2.703	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-]	ZINC000448991714	383125436	/nfs/dbraw/zinc/12/54/36/383125436.db2.gz	JTLULZRYEIYXPS-GFCCVEGCSA-N	-1	0	299.729	2.937	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000584450511	383104080	/nfs/dbraw/zinc/10/40/80/383104080.db2.gz	NQPMRWMQOPXRIF-JTQLQIEISA-N	-1	0	296.392	2.724	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000565226343	383177765	/nfs/dbraw/zinc/17/77/65/383177765.db2.gz	ZTRXHZNTHCINOK-LLVKDONJSA-N	-1	0	281.377	2.764	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634916507	383403905	/nfs/dbraw/zinc/40/39/05/383403905.db2.gz	ZEVOYEOEIVBMEL-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634931712	383409611	/nfs/dbraw/zinc/40/96/11/383409611.db2.gz	JGBWMCXBPZJQQI-TYNCELHUSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)C(C)(C)CCC(=O)[O-]	ZINC000634933007	383410540	/nfs/dbraw/zinc/41/05/40/383410540.db2.gz	NJLWXFKXXHQWHA-UHFFFAOYSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000634939950	383412932	/nfs/dbraw/zinc/41/29/32/383412932.db2.gz	SLOWSNZCYANHJS-GJZGRUSLSA-N	-1	0	285.343	2.873	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000634945815	383416671	/nfs/dbraw/zinc/41/66/71/383416671.db2.gz	ZVUZSCUSIXNBIZ-CYBMUJFWSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000634818556	383367773	/nfs/dbraw/zinc/36/77/73/383367773.db2.gz	PCGYADHDDPJXCH-UONOGXRCSA-N	-1	0	289.331	2.691	20	30		CFEDRM
C=CCCNC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634845828	383378068	/nfs/dbraw/zinc/37/80/68/383378068.db2.gz	SXXKJOWCEGMTSH-VIFPVBQESA-N	-1	0	299.729	2.730	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H](O)C2CCCCC2)s1	ZINC000473782671	383381934	/nfs/dbraw/zinc/38/19/34/383381934.db2.gz	QIWDLLNQNVJLOO-NSHDSACASA-N	-1	0	299.465	2.591	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634864782	383386096	/nfs/dbraw/zinc/38/60/96/383386096.db2.gz	VTVAUEOIMPMPLG-HZPDHXFCSA-N	-1	0	299.370	2.868	20	30		CFEDRM
N#Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000255388186	383481060	/nfs/dbraw/zinc/48/10/60/383481060.db2.gz	HTXXJQZIFKXBPS-XQRVVYSFSA-N	-1	0	281.296	2.755	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)CC1(C(=O)[O-])CCCC1	ZINC000634945685	383417090	/nfs/dbraw/zinc/41/70/90/383417090.db2.gz	XOMVGZHYTGLOQP-GFCCVEGCSA-N	-1	0	265.353	2.589	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)o1	ZINC000429565471	383546618	/nfs/dbraw/zinc/54/66/18/383546618.db2.gz	HMQYKLOGIMSYGY-LBPRGKRZSA-N	-1	0	294.314	2.966	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1cnc2ccccc2n1	ZINC000429564881	383547267	/nfs/dbraw/zinc/54/72/67/383547267.db2.gz	GHOAWSUWUJPZPF-VIFPVBQESA-N	-1	0	280.312	2.576	20	30		CFEDRM
C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000341068545	383552577	/nfs/dbraw/zinc/55/25/77/383552577.db2.gz	SSVGUABDNQJZGL-IHWYPQMZSA-N	-1	0	299.355	2.787	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000635530046	383578684	/nfs/dbraw/zinc/57/86/84/383578684.db2.gz	OAQMXJCUSKULAP-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCCCCCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000570462858	383605934	/nfs/dbraw/zinc/60/59/34/383605934.db2.gz	MHNACJGKJMHGMM-ZDUSSCGKSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(Cl)cc1C)C(=O)[O-]	ZINC000262888540	383643520	/nfs/dbraw/zinc/64/35/20/383643520.db2.gz	LHTBTCOPIGMLDA-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC000263531575	383676713	/nfs/dbraw/zinc/67/67/13/383676713.db2.gz	MPGXQPFEMFAUIZ-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc(C#N)c2)c1	ZINC000436645669	383861425	/nfs/dbraw/zinc/86/14/25/383861425.db2.gz	DTSPZHLJWBCODB-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000436856819	383897441	/nfs/dbraw/zinc/89/74/41/383897441.db2.gz	UWXRPJAXWRVMAS-UHFFFAOYSA-N	-1	0	269.703	2.999	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000439001008	384030310	/nfs/dbraw/zinc/03/03/10/384030310.db2.gz	OQBQDAGGCUXEMM-SECBINFHSA-N	-1	0	274.349	2.788	20	30		CFEDRM
COCc1n[n-]c(=N[C@H](CCC#N)c2ccccc2)s1	ZINC000439099057	384033090	/nfs/dbraw/zinc/03/30/90/384033090.db2.gz	IZDNDBFGSMRFEW-GFCCVEGCSA-N	-1	0	288.376	2.563	20	30		CFEDRM
C=CCCCNC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000280347841	384982782	/nfs/dbraw/zinc/98/27/82/384982782.db2.gz	ASVKZOPYWCSJDU-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C(C)=O)ccc1[O-])OCC	ZINC000272673434	385585986	/nfs/dbraw/zinc/58/59/86/385585986.db2.gz	LCVGCIATDPZHIG-HNNXBMFYSA-N	-1	0	291.347	2.905	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1cccc(F)c1C#N	ZINC000093396172	184670904	/nfs/dbraw/zinc/67/09/04/184670904.db2.gz	XIVFSZGTKSXPPQ-UHFFFAOYSA-N	-1	0	250.273	2.753	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(C)C	ZINC000281253499	195168849	/nfs/dbraw/zinc/16/88/49/195168849.db2.gz	CZAZUYRWROBNOU-JTQLQIEISA-N	-1	0	274.345	2.504	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)CCC(=O)[O-])c1ccc(F)c(F)c1	ZINC000186827781	260012981	/nfs/dbraw/zinc/01/29/81/260012981.db2.gz	YNZMBHHURDORIR-CQSZACIVSA-N	-1	0	283.274	2.563	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000263231770	131286421	/nfs/dbraw/zinc/28/64/21/131286421.db2.gz	BSNTXUNGIYWUBL-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
N#CC1(CCSc2n[n-]c(=N)s2)CCCCC1	ZINC000412978060	393777338	/nfs/dbraw/zinc/77/73/38/393777338.db2.gz	MNNDFYMCIGIYLJ-UHFFFAOYSA-N	-1	0	268.411	2.907	20	30		CFEDRM
CC(C)(CC#N)CN=c1[n-]nc(-c2ccccc2)s1	ZINC000413405221	393782862	/nfs/dbraw/zinc/78/28/62/393782862.db2.gz	JBVNBUSZNKNIHI-UHFFFAOYSA-N	-1	0	272.377	2.979	20	30		CFEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(C)s1	ZINC000413568579	393785098	/nfs/dbraw/zinc/78/50/98/393785098.db2.gz	DBHYIHKBHSXWTD-CYBMUJFWSA-N	-1	0	259.378	2.868	20	30		CFEDRM
CN(CCCC(=O)[O-])c1cc(C#N)ccc1C(F)(F)F	ZINC000416421648	393917580	/nfs/dbraw/zinc/91/75/80/393917580.db2.gz	FCXKWKDZGAXXLB-UHFFFAOYSA-N	-1	0	286.253	2.878	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1OCC1CC1	ZINC000416947602	393946639	/nfs/dbraw/zinc/94/66/39/393946639.db2.gz	GZROOCOQXFCEDK-LBPRGKRZSA-N	-1	0	294.376	2.519	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)C(C)C)cc1	ZINC000416960941	393946719	/nfs/dbraw/zinc/94/67/19/393946719.db2.gz	OWHQCCPGOHNIBG-CYBMUJFWSA-N	-1	0	294.376	2.569	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1	ZINC000345975041	393919797	/nfs/dbraw/zinc/91/97/97/393919797.db2.gz	ICUGUBFOBGUION-AWEZNQCLSA-N	-1	0	297.395	2.509	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436813009	394023144	/nfs/dbraw/zinc/02/31/44/394023144.db2.gz	CLCUTDYXNRVURC-HNQUOIGGSA-N	-1	0	267.244	2.737	20	30		CFEDRM
CN(Cc1cccc(C#N)c1)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000349734926	393973219	/nfs/dbraw/zinc/97/32/19/393973219.db2.gz	VTJTVRWDOMUSBF-UHFFFAOYSA-N	-1	0	297.314	2.804	20	30		CFEDRM
C=CCNC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1	ZINC000351214904	393982460	/nfs/dbraw/zinc/98/24/60/393982460.db2.gz	MYFICYQLOWXTKZ-UHFFFAOYSA-N	-1	0	294.767	2.588	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000436832323	394026279	/nfs/dbraw/zinc/02/62/79/394026279.db2.gz	UUZVRSKTBQTUTB-IWQZZHSRSA-N	-1	0	266.256	2.527	20	30		CFEDRM
CC(C)CN=c1[n-]nc(SCC2(C#N)CCC2)s1	ZINC000450745105	394333641	/nfs/dbraw/zinc/33/36/41/394333641.db2.gz	CHKQPTYHAZTERZ-UHFFFAOYSA-N	-1	0	282.438	2.814	20	30		CFEDRM
CSC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000174445867	394378777	/nfs/dbraw/zinc/37/87/77/394378777.db2.gz	BSCMWTIKSVRMQN-NTUHNPAUSA-N	-1	0	268.338	2.861	20	30		CFEDRM
C=CCCN(C)c1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000306044233	413078040	/nfs/dbraw/zinc/07/80/40/413078040.db2.gz	QRYPYHHTJMSZIM-UHFFFAOYSA-N	-1	0	277.349	2.710	20	30		CFEDRM
CCn1nccc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647379278	395320505	/nfs/dbraw/zinc/32/05/05/395320505.db2.gz	XBVZWSXMMLQABX-SNVBAGLBSA-N	-1	0	286.360	2.727	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nc(C2CC2)cs1	ZINC000647379462	395320755	/nfs/dbraw/zinc/32/07/55/395320755.db2.gz	KWTMRRXCTGMZHQ-GFCCVEGCSA-N	-1	0	294.339	2.777	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nc(C2CC2)cs1	ZINC000647378095	395320760	/nfs/dbraw/zinc/32/07/60/395320760.db2.gz	UDZWRUDPQZHKFP-GFCCVEGCSA-N	-1	0	294.339	2.777	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1	ZINC000647380476	395321007	/nfs/dbraw/zinc/32/10/07/395321007.db2.gz	YWXIAOYACAXEPD-JTQLQIEISA-N	-1	0	286.360	2.727	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cc1Cl	ZINC000647447971	395333180	/nfs/dbraw/zinc/33/31/80/395333180.db2.gz	LBMVMXVJDRKUFE-BXKDBHETSA-N	-1	0	296.754	2.826	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(C(=O)[O-])cc1Cl	ZINC000647447974	395333446	/nfs/dbraw/zinc/33/34/46/395333446.db2.gz	LBMVMXVJDRKUFE-SKDRFNHKSA-N	-1	0	296.754	2.826	20	30		CFEDRM
C=CCCCCCNC(=O)N(CCC)[C@H](C)C(=O)[O-]	ZINC000653531041	413350429	/nfs/dbraw/zinc/35/04/29/413350429.db2.gz	WLJOAPPBOUCHHO-GFCCVEGCSA-N	-1	0	270.373	2.628	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(CC(=O)[O-])c1	ZINC000653644548	413423533	/nfs/dbraw/zinc/42/35/33/413423533.db2.gz	URDHXDPFGWBMRG-GFCCVEGCSA-N	-1	0	275.348	2.788	20	30		CFEDRM
N#Cc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000035347614	172140419	/nfs/dbraw/zinc/14/04/19/172140419.db2.gz	BCELIMJVXHRXMJ-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
C=CCN(C)Cc1c(Br)cccc1C(=O)[O-]	ZINC000652386270	413916093	/nfs/dbraw/zinc/91/60/93/413916093.db2.gz	OCFCZAWGUYOFBG-UHFFFAOYSA-N	-1	0	284.153	2.765	20	30		CFEDRM
CN(CCC#N)Cc1c2ccccc2sc1C(=O)[O-]	ZINC000037337338	173138869	/nfs/dbraw/zinc/13/88/69/173138869.db2.gz	GBKUZECNYGJASV-UHFFFAOYSA-N	-1	0	274.345	2.945	20	30		CFEDRM
C=CCOc1ccc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)cc1	ZINC000037590357	173539317	/nfs/dbraw/zinc/53/93/17/173539317.db2.gz	JTVZVBWVGUVPRG-LBPRGKRZSA-N	-1	0	291.347	2.577	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000665317045	414278674	/nfs/dbraw/zinc/27/86/74/414278674.db2.gz	TZIVEMVKXHUMRT-LBPRGKRZSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CCCCCCNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000655556885	414322929	/nfs/dbraw/zinc/32/29/29/414322929.db2.gz	PIIAGQLASWGAIW-HNNXBMFYSA-N	-1	0	265.353	2.660	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000659153744	414457354	/nfs/dbraw/zinc/45/73/54/414457354.db2.gz	LRMYVSFKHVWSQC-RFQIPJPRSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000659169484	414462052	/nfs/dbraw/zinc/46/20/52/414462052.db2.gz	CDLCJBNUKKSKQY-SNVBAGLBSA-N	-1	0	279.361	2.875	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C(=O)[O-])c1	ZINC000659228609	414475009	/nfs/dbraw/zinc/47/50/09/414475009.db2.gz	LHDBMAYHKRBVLO-GASCZTMLSA-N	-1	0	285.343	2.637	20	30		CFEDRM
C=CCCCCNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876416	414487301	/nfs/dbraw/zinc/48/73/01/414487301.db2.gz	MANSFGGQTLFINP-FRRDWIJNSA-N	-1	0	296.411	2.777	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])CC(C)(C)C	ZINC000659781447	414550039	/nfs/dbraw/zinc/55/00/39/414550039.db2.gz	JFEMFVAKJUCVDE-UHFFFAOYSA-N	-1	0	267.369	2.714	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCCC(=O)[O-]	ZINC000659407730	414517382	/nfs/dbraw/zinc/51/73/82/414517382.db2.gz	LMXILBGVTLGZAR-OLZOCXBDSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCCCC(=O)[O-]	ZINC000659407729	414517460	/nfs/dbraw/zinc/51/74/60/414517460.db2.gz	LMXILBGVTLGZAR-CHWSQXEVSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])CCCC1	ZINC000656487412	414590552	/nfs/dbraw/zinc/59/05/52/414590552.db2.gz	UCEVAANRIDPBQZ-STQMWFEESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC1(CNC(=O)N(CC)CC(=O)[O-])CCCC1	ZINC000656588504	414611359	/nfs/dbraw/zinc/61/13/59/414611359.db2.gz	MYFQPJQSZVRDGE-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C(CC)(CC)C(=O)[O-])C1	ZINC000663126318	414653996	/nfs/dbraw/zinc/65/39/96/414653996.db2.gz	HFJPZQSMGDXVAY-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1	ZINC000663125981	414654204	/nfs/dbraw/zinc/65/42/04/414654204.db2.gz	AVBVHUCFQVSFKF-GXTWGEPZSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000040521675	174310672	/nfs/dbraw/zinc/31/06/72/174310672.db2.gz	MJGCEUBBTYDXDQ-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
N#CC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000336331234	226899421	/nfs/dbraw/zinc/89/94/21/226899421.db2.gz	XUTKJRKHOCHALZ-UHFFFAOYSA-N	-1	0	282.702	2.560	20	30		CFEDRM
N#CC(=C([O-])c1coc2ccccc12)c1ccncn1	ZINC000354468268	227004006	/nfs/dbraw/zinc/00/40/06/227004006.db2.gz	LSRUHPQCQLBPPO-LLVKDONJSA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2	ZINC000408493835	260904588	/nfs/dbraw/zinc/90/45/88/260904588.db2.gz	BIASXBNCJLDILC-WXRRBKDZSA-N	-1	0	299.436	2.613	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000184160355	262011441	/nfs/dbraw/zinc/01/14/41/262011441.db2.gz	ZMJMBZFHKYTWPA-QMMMGPOBSA-N	-1	0	270.691	2.607	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184376062	262018427	/nfs/dbraw/zinc/01/84/27/262018427.db2.gz	PGBUAIZNUHRHSZ-SSDOTTSWSA-N	-1	0	270.691	2.559	20	30		CFEDRM
N#CCCCCNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000194594634	262239960	/nfs/dbraw/zinc/23/99/60/262239960.db2.gz	QYLPPKOFJUXASM-UHFFFAOYSA-N	-1	0	270.691	2.608	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCC1	ZINC000274743972	263030132	/nfs/dbraw/zinc/03/01/32/263030132.db2.gz	WFWNDCWVBXYZPI-UHFFFAOYSA-N	-1	0	268.675	2.817	20	30		CFEDRM
C[C@H]1COCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000277448874	263041240	/nfs/dbraw/zinc/04/12/40/263041240.db2.gz	QMGMYWKMDBBTOO-HELXHOSVSA-N	-1	0	298.726	2.798	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CC(F)(F)C2)c1	ZINC000277587730	263042090	/nfs/dbraw/zinc/04/20/90/263042090.db2.gz	YWOMKZMJIAGDJK-MKMNVTDBSA-N	-1	0	256.208	2.517	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000285661485	263095080	/nfs/dbraw/zinc/09/50/80/263095080.db2.gz	DGMKQJZDDGKKCM-GFCCVEGCSA-N	-1	0	252.701	2.924	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@H]2CCCC2(C)C)s[n-]1	ZINC000330809921	264044043	/nfs/dbraw/zinc/04/40/43/264044043.db2.gz	AHQNGZJGKYGDFR-VIFPVBQESA-N	-1	0	282.413	2.817	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@H](C)C2CCCC2)s[n-]1	ZINC000330874977	264060114	/nfs/dbraw/zinc/06/01/14/264060114.db2.gz	ZNFCODHCXBGXSK-SECBINFHSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC000190536263	264418926	/nfs/dbraw/zinc/41/89/26/264418926.db2.gz	HRDYUIXURHBTFD-CYBMUJFWSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000190679892	264425367	/nfs/dbraw/zinc/42/53/67/264425367.db2.gz	XAMPDRAGKKIVIF-HIFRSBDPSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000191215602	264488422	/nfs/dbraw/zinc/48/84/22/264488422.db2.gz	XUDLMEKGQGOHHD-OLZOCXBDSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C(C)Cn1c(CC(C)C)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000359115120	266537732	/nfs/dbraw/zinc/53/77/32/266537732.db2.gz	LOMVHHARWMBMGL-UHFFFAOYSA-N	-1	0	288.399	2.558	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nc2ccccc2o1	ZINC000361119404	268048545	/nfs/dbraw/zinc/04/85/45/268048545.db2.gz	IOSJPQVAZUJAFH-GFCCVEGCSA-N	-1	0	288.266	2.585	20	30		CFEDRM
CC(=Cc1cccs1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000562461590	290045048	/nfs/dbraw/zinc/04/50/48/290045048.db2.gz	XBDFYUDVJMIXNF-SOFGYWHQSA-N	-1	0	257.318	2.572	20	30		CFEDRM
C[C@@H]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000564085050	290191751	/nfs/dbraw/zinc/19/17/51/290191751.db2.gz	SGRVWBOHIKDPHA-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@@H]1C1CC1	ZINC000565836601	290329166	/nfs/dbraw/zinc/32/91/66/290329166.db2.gz	QYFDPALHNZPGGR-OLZOCXBDSA-N	-1	0	298.390	2.736	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])cc2C)ccc1C#N	ZINC001243201015	782060904	/nfs/dbraw/zinc/06/09/04/782060904.db2.gz	SOYYPLBCWDSSNK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc(Cl)cc2C#N)C1	ZINC000263271704	297216296	/nfs/dbraw/zinc/21/62/96/297216296.db2.gz	WCHDKFBFKCOUMC-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc(C(=O)[O-])c(C)c2)c1	ZINC001243211351	782071400	/nfs/dbraw/zinc/07/14/00/782071400.db2.gz	GKRJXTATBIDYNM-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(-c2ccc(CC#N)nc2)ccc1C(=O)[O-]	ZINC001243214047	782075360	/nfs/dbraw/zinc/07/53/60/782075360.db2.gz	BZDAJLSKJJTIJZ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)on1	ZINC000268280369	328183819	/nfs/dbraw/zinc/18/38/19/328183819.db2.gz	KZVDGQPLGHMHTI-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
CCC(O)(CC)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000276455720	328218494	/nfs/dbraw/zinc/21/84/94/328218494.db2.gz	WQMFTSJYNJPWGR-XNTDXEJSSA-N	-1	0	280.324	2.661	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H]2CCC(C)(C)O2)s1	ZINC000340596851	328295440	/nfs/dbraw/zinc/29/54/40/328295440.db2.gz	QVKWEULEKZGRNJ-VIFPVBQESA-N	-1	0	285.438	2.608	20	30		CFEDRM
Cc1cccc(C=CC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000049418122	328361546	/nfs/dbraw/zinc/36/15/46/328361546.db2.gz	PMQJJSCISVOXSA-BQYQJAHWSA-N	-1	0	267.350	2.703	20	30		CFEDRM
Cc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1F	ZINC000188764027	324020741	/nfs/dbraw/zinc/02/07/41/324020741.db2.gz	KVCIOPPFWAIXPV-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
CC(=Cc1cc(C)ccc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193615308	324075292	/nfs/dbraw/zinc/07/52/92/324075292.db2.gz	PGKRXNCNNSXULM-YFHOEESVSA-N	-1	0	283.306	2.958	20	30		CFEDRM
C=CCCC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)[O-])C1	ZINC000180296651	329219377	/nfs/dbraw/zinc/21/93/77/329219377.db2.gz	MFLPURKNSCSMQP-GJZGRUSLSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCCC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2ccccc2)C1	ZINC000180296635	329219420	/nfs/dbraw/zinc/21/94/20/329219420.db2.gz	MFLPURKNSCSMQP-CABCVRRESA-N	-1	0	287.359	2.670	20	30		CFEDRM
CC(C)(C)c1nc(=NCC2CCC(C#N)CC2)[n-]o1	ZINC000582824047	329269070	/nfs/dbraw/zinc/26/90/70/329269070.db2.gz	YZPSQVPBXXNYEI-UHFFFAOYSA-N	-1	0	262.357	2.531	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000190976832	329404137	/nfs/dbraw/zinc/40/41/37/329404137.db2.gz	MXTJZMSGNUUECO-JTQLQIEISA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000262818605	330033982	/nfs/dbraw/zinc/03/39/82/330033982.db2.gz	DVLIDRQRBWEBGT-BXUZGUMPSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)c1ccccc1F)C(=O)[O-]	ZINC000262818611	330034006	/nfs/dbraw/zinc/03/40/06/330034006.db2.gz	DVLIDRQRBWEBGT-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000262855055	330035359	/nfs/dbraw/zinc/03/53/59/330035359.db2.gz	IEVCPANWNMHBGP-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sccc1SC)C(=O)[O-]	ZINC000262857385	330035622	/nfs/dbraw/zinc/03/56/22/330035622.db2.gz	IJAFTUGJHJGPGX-MRVPVSSYSA-N	-1	0	285.390	2.619	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)[O-]	ZINC000262909687	330036800	/nfs/dbraw/zinc/03/68/00/330036800.db2.gz	MZTFVEHPFZLSFA-AWEZNQCLSA-N	-1	0	292.379	2.835	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000262927378	330037205	/nfs/dbraw/zinc/03/72/05/330037205.db2.gz	OOJQDMSWFHMWOM-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc2cccc(C)c2o1)C(=O)[O-]	ZINC000262944965	330037304	/nfs/dbraw/zinc/03/73/04/330037304.db2.gz	QCZXTTAGJZLQKT-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000263024854	330039278	/nfs/dbraw/zinc/03/92/78/330039278.db2.gz	YJASLWYXMFPSIC-KGLIPLIRSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C=C)c1ccccc1)C(=O)[O-]	ZINC000263042294	330040265	/nfs/dbraw/zinc/04/02/65/330040265.db2.gz	ZSVAHFWCOVSHJT-ZFWWWQNUSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1	ZINC000263221541	330049594	/nfs/dbraw/zinc/04/95/94/330049594.db2.gz	QUEKQNJJBFTDRH-ZBEGNZNMSA-N	-1	0	293.338	2.844	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccccc1	ZINC000263239666	330050409	/nfs/dbraw/zinc/05/04/09/330050409.db2.gz	FTEQZFBFXGAQRO-GFCCVEGCSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCC1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1	ZINC000263350190	330052607	/nfs/dbraw/zinc/05/26/07/330052607.db2.gz	HOQWCOROKJWDEU-ZDUSSCGKSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1	ZINC000263527619	330058814	/nfs/dbraw/zinc/05/88/14/330058814.db2.gz	KTYOWJHELMSIQW-LBPRGKRZSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000263551314	330059454	/nfs/dbraw/zinc/05/94/54/330059454.db2.gz	WOPNTZWQZOELBJ-GFCCVEGCSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000263553949	330059467	/nfs/dbraw/zinc/05/94/67/330059467.db2.gz	XXEBOQCQIWWVBN-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cccc2ccc(C)nc21	ZINC000120168038	330385875	/nfs/dbraw/zinc/38/58/75/330385875.db2.gz	MXDKPIGUXNRNHD-UHFFFAOYSA-N	-1	0	276.361	2.861	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(c2ccccc2C)CC1)C(=O)[O-]	ZINC000448989696	330890475	/nfs/dbraw/zinc/89/04/75/330890475.db2.gz	FLLXVDRDXUOVHH-CQSZACIVSA-N	-1	0	287.359	2.562	20	30		CFEDRM
CCCN=c1[n-]nc(SCC2(C#N)CCC2)s1	ZINC000450738724	330997124	/nfs/dbraw/zinc/99/71/24/330997124.db2.gz	OEUYJCCSCZRWBB-UHFFFAOYSA-N	-1	0	268.411	2.568	20	30		CFEDRM
N#CCCCCNS(=O)(=O)c1cc2cc(F)ccc2o1	ZINC000451162819	331018326	/nfs/dbraw/zinc/01/83/26/331018326.db2.gz	AFFALDGAGUDBRY-UHFFFAOYSA-N	-1	0	296.323	2.544	20	30		CFEDRM
C=C(C)CCNC(=O)Cc1ccc(Br)cc1O	ZINC000452720945	331073839	/nfs/dbraw/zinc/07/38/39/331073839.db2.gz	YLRQVXBXQSVMNV-UHFFFAOYSA-N	-1	0	298.180	2.780	20	30		CFEDRM
CCc1cccc(C([O-])=C(C#N)c2nc(C)cs2)n1	ZINC000453586944	331135049	/nfs/dbraw/zinc/13/50/49/331135049.db2.gz	JYMBRDAUJUUWAI-LLVKDONJSA-N	-1	0	271.345	2.899	20	30		CFEDRM
C=CC[C@@H](C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1	ZINC000488889495	332032384	/nfs/dbraw/zinc/03/23/84/332032384.db2.gz	BHGFHNLPYIAGNO-OAHLLOKOSA-N	-1	0	281.359	2.814	20	30		CFEDRM
C=CCn1cccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000488895930	332032599	/nfs/dbraw/zinc/03/25/99/332032599.db2.gz	FHZUHZWIAHEKIF-UHFFFAOYSA-N	-1	0	287.275	2.540	20	30		CFEDRM
C#C[C@H](CC)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000491317135	332189181	/nfs/dbraw/zinc/18/91/81/332189181.db2.gz	ZQRLVAYHJSPXSS-QOUOVQQFSA-N	-1	0	266.684	2.785	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)C	ZINC000491526026	332230523	/nfs/dbraw/zinc/23/05/23/332230523.db2.gz	WLZYWMRYVQCONZ-SECBINFHSA-N	-1	0	285.265	2.587	20	30		CFEDRM
C#C[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(F)cc1	ZINC000491629367	332252347	/nfs/dbraw/zinc/25/23/47/332252347.db2.gz	OFWRDJXALFPSSZ-CABZTGNLSA-N	-1	0	291.351	2.593	20	30		CFEDRM
C#CCN(CC#CC)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000491658853	332269650	/nfs/dbraw/zinc/26/96/50/332269650.db2.gz	WMFAVDRAVXXZDB-UHFFFAOYSA-N	-1	0	295.260	2.510	20	30		CFEDRM
C=CCCCCCNC(=O)CCc1c(C)nc(C)[nH]c1=O	ZINC000516980045	333088770	/nfs/dbraw/zinc/08/87/70/333088770.db2.gz	VJQQKBPPXWYFDM-UHFFFAOYSA-N	-1	0	291.395	2.594	20	30		CFEDRM
C=CCCC[C@@H](C)N=c1[n-]c([C@@H](C)OC)ns1	ZINC000337878617	335130724	/nfs/dbraw/zinc/13/07/24/335130724.db2.gz	SJWZSVTWUJXVHC-NXEZZACHSA-N	-1	0	255.387	2.824	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000316235698	333386429	/nfs/dbraw/zinc/38/64/29/333386429.db2.gz	BYYQSNDCENHVOX-GFCCVEGCSA-N	-1	0	296.754	2.559	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(CC)c(C)s1)C(=O)[O-]	ZINC000316264032	333387575	/nfs/dbraw/zinc/38/75/75/333387575.db2.gz	DZCHSZCLPBYNCG-LLVKDONJSA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=CC[N@H+](Cc1ccccc1F)CC1(C(=O)[O-])CC1	ZINC000576114568	335156462	/nfs/dbraw/zinc/15/64/62/335156462.db2.gz	XTCLAGWFOQMKBG-UHFFFAOYSA-N	-1	0	263.312	2.679	20	30		CFEDRM
N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1ccncn1	ZINC000546153733	334016705	/nfs/dbraw/zinc/01/67/05/334016705.db2.gz	TUKWWNCCTTZCDO-LBPRGKRZSA-N	-1	0	295.346	2.737	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)o1	ZINC000551790777	334261777	/nfs/dbraw/zinc/26/17/77/334261777.db2.gz	GMETWSPUIQIROQ-NSHDSACASA-N	-1	0	294.314	2.668	20	30		CFEDRM
C=CCCCN(C)C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000565835489	334601557	/nfs/dbraw/zinc/60/15/57/334601557.db2.gz	ICOREZLZMKMPJV-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1	ZINC000263545399	334605800	/nfs/dbraw/zinc/60/58/00/334605800.db2.gz	TVGIFJUZCKEYCE-SECBINFHSA-N	-1	0	267.350	2.921	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000316374666	334820212	/nfs/dbraw/zinc/82/02/12/334820212.db2.gz	RZFAAFBKVMITCY-AVGNSLFASA-N	-1	0	282.384	2.531	20	30		CFEDRM
N#CCC1(CNC(=O)CC2(CC(=O)[O-])CCCCC2)CC1	ZINC000362337075	335855800	/nfs/dbraw/zinc/85/58/00/335855800.db2.gz	ZDKBAXJYAYKOMQ-UHFFFAOYSA-N	-1	0	292.379	2.612	20	30		CFEDRM
C=CCCCCCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000581498642	336090631	/nfs/dbraw/zinc/09/06/31/336090631.db2.gz	FPKJUHHDLSPRBM-XJKSGUPXSA-N	-1	0	294.395	2.629	20	30		CFEDRM
COc1cc(C#N)nc(-c2ccc([O-])c(F)c2F)c1	ZINC001243341690	782146383	/nfs/dbraw/zinc/14/63/83/782146383.db2.gz	QHHJWIMHEAXVJL-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
CSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354475028	534188486	/nfs/dbraw/zinc/18/84/86/534188486.db2.gz	QUCXAIHJZRECAJ-LBPRGKRZSA-N	-1	0	269.329	2.689	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000094703380	519212155	/nfs/dbraw/zinc/21/21/55/519212155.db2.gz	GFDDIEYBKVDQNE-NSHDSACASA-N	-1	0	291.307	2.625	20	30		CFEDRM
CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(C#N)cc2)s[n-]1	ZINC000336833341	523461151	/nfs/dbraw/zinc/46/11/51/523461151.db2.gz	YFBGATVDSYEZBV-UWVGGRQHSA-N	-1	0	288.376	2.712	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2cnc(C)s2)s1	ZINC000345564135	526521353	/nfs/dbraw/zinc/52/13/53/526521353.db2.gz	FPIQVCPGGNXHBN-UHFFFAOYSA-N	-1	0	284.435	2.615	20	30		CFEDRM
N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)cc1	ZINC000050924177	526643410	/nfs/dbraw/zinc/64/34/10/526643410.db2.gz	QKGXLPPUJZQDNB-UHFFFAOYSA-N	-1	0	258.321	2.639	20	30		CFEDRM
N#Cc1ccc(NCCCC(=O)[O-])c(Br)c1	ZINC000169184146	526661396	/nfs/dbraw/zinc/66/13/96/526661396.db2.gz	SVZJUGFQAKBZBC-UHFFFAOYSA-N	-1	0	283.125	2.597	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000192874275	526711757	/nfs/dbraw/zinc/71/17/57/526711757.db2.gz	NRAFBNSBXDLJBR-NSHDSACASA-N	-1	0	261.321	2.603	20	30		CFEDRM
CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354472671	526878991	/nfs/dbraw/zinc/87/89/91/526878991.db2.gz	UXFLOOMELQFASU-VIFPVBQESA-N	-1	0	286.360	2.721	20	30		CFEDRM
CC(C)(C#N)CC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000334746037	527459219	/nfs/dbraw/zinc/45/92/19/527459219.db2.gz	AZLUUXXUGSQRPY-UHFFFAOYSA-N	-1	0	254.236	2.549	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)C2(C#N)CCC2)c1	ZINC000332485788	528458975	/nfs/dbraw/zinc/45/89/75/528458975.db2.gz	WMDFEXBBODCQDB-UHFFFAOYSA-N	-1	0	272.304	2.617	20	30		CFEDRM
COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1C	ZINC000435337881	536571104	/nfs/dbraw/zinc/57/11/04/536571104.db2.gz	ZGTXTZQPJQSLRI-FLIBITNWSA-N	-1	0	295.342	2.828	20	30		CFEDRM
COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1F	ZINC000435336081	536571361	/nfs/dbraw/zinc/57/13/61/536571361.db2.gz	MJVWRLJVAYZNLC-TWGQIWQCSA-N	-1	0	299.305	2.658	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@]23CCO[C@H]2CCCC3)c1	ZINC000935107538	649876287	/nfs/dbraw/zinc/87/62/87/649876287.db2.gz	IFNLRTBISFMFNO-HOCLYGCPSA-N	-1	0	286.331	2.552	20	30		CFEDRM
CC(C)[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000935108201	649876592	/nfs/dbraw/zinc/87/65/92/649876592.db2.gz	NKUFBFZZSJNVFY-IUODEOHRSA-N	-1	0	288.347	2.654	20	30		CFEDRM
N#Cc1ccccc1CNc1cccc(CC(=O)[O-])c1	ZINC000738433777	574050703	/nfs/dbraw/zinc/05/07/03/574050703.db2.gz	JZMQNHWGUHOTKZ-UHFFFAOYSA-N	-1	0	266.300	2.797	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC(CNC(=O)[O-])CC1	ZINC000740310368	574056176	/nfs/dbraw/zinc/05/61/76/574056176.db2.gz	FEQDAFHEUOXUBM-UHFFFAOYSA-N	-1	0	293.754	2.696	20	30		CFEDRM
CCCC(C#N)(CCC)NC(=O)c1cccc(C(=O)[O-])c1	ZINC000736950917	574087645	/nfs/dbraw/zinc/08/76/45/574087645.db2.gz	AOWNKIOASHDTNG-UHFFFAOYSA-N	-1	0	288.347	2.977	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H](CC)NC(=O)[O-])c1	ZINC000738485192	574088798	/nfs/dbraw/zinc/08/87/98/574088798.db2.gz	DJUHTZRZJNNVPL-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)NCC1(NC(=O)[O-])CCCCCC1	ZINC000738488332	574090816	/nfs/dbraw/zinc/09/08/16/574090816.db2.gz	JIUIAKXSBDYYRL-GFCCVEGCSA-N	-1	0	297.399	2.611	20	30		CFEDRM
C=CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccoc1C	ZINC000738502398	574099317	/nfs/dbraw/zinc/09/93/17/574099317.db2.gz	CFYABMNRCWSSNG-VIFPVBQESA-N	-1	0	293.348	2.598	20	30		CFEDRM
COc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000738105194	574105346	/nfs/dbraw/zinc/10/53/46/574105346.db2.gz	AFUOEOYGUGKPGK-OAHLLOKOSA-N	-1	0	282.299	2.805	20	30		CFEDRM
COc1cccc(O)c1/C=N/C[C@@H](CC(C)C)C(=O)[O-]	ZINC000738105583	574108628	/nfs/dbraw/zinc/10/86/28/574108628.db2.gz	DTBRJDUEPLNGNB-LKBVRNOZSA-N	-1	0	279.336	2.567	20	30		CFEDRM
CCOc1ccc(C=NNc2ccc(F)cn2)c(O)c1	ZINC000731321133	574116548	/nfs/dbraw/zinc/11/65/48/574116548.db2.gz	DDIZMCXMNSTGIR-UHFFFAOYSA-N	-1	0	275.283	2.771	20	30		CFEDRM
O=C([O-])C1CCC(=NNCCCc2ccccc2)CC1	ZINC000738531209	574119743	/nfs/dbraw/zinc/11/97/43/574119743.db2.gz	KJAUQUJGNFWUFK-UHFFFAOYSA-N	-1	0	274.364	2.840	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1F	ZINC000737337027	574136635	/nfs/dbraw/zinc/13/66/35/574136635.db2.gz	SEOIGVLTFIPMTQ-UHFFFAOYSA-N	-1	0	298.273	2.672	20	30		CFEDRM
[O-]c1c(F)cc(C=NOCc2cccnc2)cc1F	ZINC000746575808	574155523	/nfs/dbraw/zinc/15/55/23/574155523.db2.gz	DAYZSQPMXRUQNL-UHFFFAOYSA-N	-1	0	264.231	2.616	20	30		CFEDRM
CC(=NOCc1cccnc1)c1cccc(C(=O)[O-])c1	ZINC000746587229	574156124	/nfs/dbraw/zinc/15/61/24/574156124.db2.gz	JYXWVKWMWXIZNZ-UHFFFAOYSA-N	-1	0	270.288	2.721	20	30		CFEDRM
COc1ccc(O)c(/C=N/[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000738041986	574156425	/nfs/dbraw/zinc/15/64/25/574156425.db2.gz	RGOBGZFQTQOZDN-LZNAANCOSA-N	-1	0	299.326	2.516	20	30		CFEDRM
Cc1csc(C=NNc2ccc(C(=O)[O-])cc2)n1	ZINC000755455846	574163086	/nfs/dbraw/zinc/16/30/86/574163086.db2.gz	QXJSUWFSQPATCI-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1csc(C=NN=c2[nH]c3ccccc3[nH]2)c1	ZINC000755489697	574165456	/nfs/dbraw/zinc/16/54/56/574165456.db2.gz	ILVKUJLFVMVGLA-UHFFFAOYSA-N	-1	0	286.316	2.769	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)CN(CC)C(=O)[O-])c1	ZINC000738485546	574170715	/nfs/dbraw/zinc/17/07/15/574170715.db2.gz	JZWAIBPMKVJWDR-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
Cc1nn(C)cc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000755598023	574170768	/nfs/dbraw/zinc/17/07/68/574170768.db2.gz	BDSHPSJIXRQORS-ARJAWSKDSA-N	-1	0	278.258	2.608	20	30		CFEDRM
C=CCn1c2ccccc2nc1SC1CN(C(=O)[O-])C1	ZINC000738502290	574171587	/nfs/dbraw/zinc/17/15/87/574171587.db2.gz	AMWVFUPXPXOLFC-UHFFFAOYSA-N	-1	0	289.360	2.677	20	30		CFEDRM
C=CCCOC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738493789	574171710	/nfs/dbraw/zinc/17/17/10/574171710.db2.gz	RNHDJBLBRVMACC-LLVKDONJSA-N	-1	0	283.711	2.768	20	30		CFEDRM
C=CCc1ccccc1OC(=O)CC(C)(C)NC(=O)[O-]	ZINC000738502314	574171793	/nfs/dbraw/zinc/17/17/93/574171793.db2.gz	ATLLDOAKGKPRPA-UHFFFAOYSA-N	-1	0	277.320	2.757	20	30		CFEDRM
Cc1cc(NN=Cc2c(O)cccc2Cl)nc(C)n1	ZINC000755648354	574174743	/nfs/dbraw/zinc/17/47/43/574174743.db2.gz	NFXQZYAKOYZUEN-UHFFFAOYSA-N	-1	0	276.727	2.898	20	30		CFEDRM
Cc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738756571	574183443	/nfs/dbraw/zinc/18/34/43/574183443.db2.gz	MQNRVDDDSMKYLC-HNNXBMFYSA-N	-1	0	295.294	2.849	20	30		CFEDRM
Cc1cccc(CNN=Cc2cccc(F)c2O)c1	ZINC000755772979	574186755	/nfs/dbraw/zinc/18/67/55/574186755.db2.gz	ADGMZYWGGFYGDQ-UHFFFAOYSA-N	-1	0	258.296	2.963	20	30		CFEDRM
C[C@]1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1	ZINC000733080839	574187080	/nfs/dbraw/zinc/18/70/80/574187080.db2.gz	CXCKWWWAVKMFNR-WXYNBALXSA-N	-1	0	298.726	2.799	20	30		CFEDRM
CC(N=Nc1nccnc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000733080328	574187430	/nfs/dbraw/zinc/18/74/30/574187430.db2.gz	KHBMWBTZVSYFRR-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
CO[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000753139412	574187451	/nfs/dbraw/zinc/18/74/51/574187451.db2.gz	UFYCZXQGHWSWKW-VPHXBNOSSA-N	-1	0	278.308	2.533	20	30		CFEDRM
Cc1nc(C)c(C#N)c(SCc2cc(C(=O)[O-])co2)n1	ZINC000738843819	574187518	/nfs/dbraw/zinc/18/75/18/574187518.db2.gz	CEKMOUZHSWMRTB-UHFFFAOYSA-N	-1	0	289.316	2.549	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NO[C@H]1CCCCO1)CCC2	ZINC000755819561	574189575	/nfs/dbraw/zinc/18/95/75/574189575.db2.gz	JEICNJRNCRNXSY-LBPRGKRZSA-N	-1	0	293.319	2.870	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(CC(=O)[O-])cc1	ZINC000755822778	574190477	/nfs/dbraw/zinc/19/04/77/574190477.db2.gz	OAQRPMPKEUPOEQ-OAHLLOKOSA-N	-1	0	277.320	2.581	20	30		CFEDRM
N#Cc1cc(F)ccc1COC(=O)c1ccc(C(=O)[O-])cc1	ZINC000739099403	574198278	/nfs/dbraw/zinc/19/82/78/574198278.db2.gz	XBMLLFKFQXSETR-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1ccc([C@H](NCc2cccs2)C(=O)[O-])cc1	ZINC000739105588	574198643	/nfs/dbraw/zinc/19/86/43/574198643.db2.gz	ICRPIWFVHVINLU-ZDUSSCGKSA-N	-1	0	272.329	2.535	20	30		CFEDRM
N#Cc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1	ZINC000739106268	574198898	/nfs/dbraw/zinc/19/88/98/574198898.db2.gz	REFUVXUWCYLJJE-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)CC2CCCC2)C(=O)[O-])cc1	ZINC000739107384	574198951	/nfs/dbraw/zinc/19/89/51/574198951.db2.gz	AZNOJKOBSWRXAI-OAHLLOKOSA-N	-1	0	287.315	2.807	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000739143243	574199654	/nfs/dbraw/zinc/19/96/54/574199654.db2.gz	ZYFRWLLHLLLMPC-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C2/Cc3ccccc3C2=O)c1	ZINC000733205217	574210821	/nfs/dbraw/zinc/21/08/21/574210821.db2.gz	NNZWNXHXPZHOSQ-ZSOIEALJSA-N	-1	0	294.306	2.972	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\C[C@@H](NC(=O)[O-])C(C)C)c1	ZINC000739504757	574215737	/nfs/dbraw/zinc/21/57/37/574215737.db2.gz	OKCXHXKARYTHTB-KHAFMBKQSA-N	-1	0	294.351	2.502	20	30		CFEDRM
COc1cc(CC(=O)Nc2cc(C#N)ccc2[O-])ccc1C	ZINC000748005326	574224544	/nfs/dbraw/zinc/22/45/44/574224544.db2.gz	AWEGIZFHYVRLRN-UHFFFAOYSA-N	-1	0	296.326	2.762	20	30		CFEDRM
COc1cccc(NN=Cc2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000748132550	574230987	/nfs/dbraw/zinc/23/09/87/574230987.db2.gz	CMDWJHNKCBZHMF-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2nc3ccccc3[nH]2)cc1[O-]	ZINC000748132484	574231317	/nfs/dbraw/zinc/23/13/17/574231317.db2.gz	UMGZAWCUAGCMSP-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
Cc1cc(C)c(C#N)c(SC[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000740063331	574234351	/nfs/dbraw/zinc/23/43/51/574234351.db2.gz	JTWUGIKJSNTOEH-NSHDSACASA-N	-1	0	291.376	2.662	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2cccc(F)c2)c1	ZINC000740159769	574239996	/nfs/dbraw/zinc/23/99/96/574239996.db2.gz	CZQXULDCHLJDAP-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
Cc1nnc(Oc2cccc(CNC(=O)[O-])c2)c(C#N)c1C	ZINC000740251617	574244581	/nfs/dbraw/zinc/24/45/81/574244581.db2.gz	HZSDYWWDEXPYAT-UHFFFAOYSA-N	-1	0	298.302	2.525	20	30		CFEDRM
O=C([O-])c1occc1C=NNc1cccc(C(F)(F)F)n1	ZINC000740280517	574245667	/nfs/dbraw/zinc/24/56/67/574245667.db2.gz	CEXVWIOIBOSRPS-UHFFFAOYSA-N	-1	0	299.208	2.838	20	30		CFEDRM
N#Cc1cc(NC[C@H]2CCCN2C(=O)[O-])nc2ccccc12	ZINC000740313096	574246445	/nfs/dbraw/zinc/24/64/45/574246445.db2.gz	IQWYXTBXDVYLRD-GFCCVEGCSA-N	-1	0	296.330	2.661	20	30		CFEDRM
N#Cc1ccc(NC[C@H]2CCCN2C(=O)[O-])cc1Cl	ZINC000740319600	574247249	/nfs/dbraw/zinc/24/72/49/574247249.db2.gz	WJDYJFWGTMURCW-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
O=C([O-])N1CC(N=Nc2ccc(Cl)c(Cl)c2)C1	ZINC000740488216	574250512	/nfs/dbraw/zinc/25/05/12/574250512.db2.gz	IGSQEHHSNABMKH-UHFFFAOYSA-N	-1	0	274.107	2.755	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc(F)c1	ZINC000740620718	574258737	/nfs/dbraw/zinc/25/87/37/574258737.db2.gz	RZIMCXYDSUFVBG-VIFPVBQESA-N	-1	0	265.288	2.661	20	30		CFEDRM
C#CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000756846395	574268423	/nfs/dbraw/zinc/26/84/23/574268423.db2.gz	JCRICMGHMZNWSF-AWEZNQCLSA-N	-1	0	287.359	2.758	20	30		CFEDRM
CCC(N=Nc1cnccn1)c1cc(C(=O)[O-])ccc1F	ZINC000756879251	574270369	/nfs/dbraw/zinc/27/03/69/574270369.db2.gz	HPCOGNSPVYNXSA-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1nc(C)cs1	ZINC000756901444	574271318	/nfs/dbraw/zinc/27/13/18/574271318.db2.gz	QAJQYJZXBWVXCI-UHFFFAOYSA-N	-1	0	291.332	2.604	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccnc1	ZINC000756901066	574271361	/nfs/dbraw/zinc/27/13/61/574271361.db2.gz	IKJKIYPZPLDFPZ-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC(=Nn1c(=S)[n-]nc1C(F)(F)F)c1ccsc1	ZINC000749099610	574279895	/nfs/dbraw/zinc/27/98/95/574279895.db2.gz	QRRWJWWUQNELQB-UHFFFAOYSA-N	-1	0	292.311	2.919	20	30		CFEDRM
C[C@](C#N)([N-]C(=O)C(F)(F)C(F)F)C1CCCCC1	ZINC000749390371	574292624	/nfs/dbraw/zinc/29/26/24/574292624.db2.gz	AHXPCOTUPGWSCS-LLVKDONJSA-N	-1	0	280.265	2.866	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2sccc2C)c1	ZINC000741647214	574297715	/nfs/dbraw/zinc/29/77/15/574297715.db2.gz	AWIRTPJREHPBAN-UHFFFAOYSA-N	-1	0	277.370	2.839	20	30		CFEDRM
COCc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000741758368	574300924	/nfs/dbraw/zinc/30/09/24/574300924.db2.gz	WMLONYUVXGTYAO-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
CC(=NNc1ccccn1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749604736	574301875	/nfs/dbraw/zinc/30/18/75/574301875.db2.gz	CSQVETKALFDCOG-UHFFFAOYSA-N	-1	0	272.264	2.532	20	30		CFEDRM
CCC(N=Nc1ccccc1C(=O)[O-])[C@H]1CCOC1	ZINC000741838961	574306101	/nfs/dbraw/zinc/30/61/01/574306101.db2.gz	YSDOSLNUAODOCH-JTQLQIEISA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cc(F)c(F)cc2F)[nH]1	ZINC000749814361	574310757	/nfs/dbraw/zinc/31/07/57/574310757.db2.gz	NPTOATQRDYEZIF-UHFFFAOYSA-N	-1	0	283.209	2.576	20	30		CFEDRM
C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739039277	574316175	/nfs/dbraw/zinc/31/61/75/574316175.db2.gz	ZPKYLYSNUBQMBJ-QWRGUYRKSA-N	-1	0	291.326	2.888	20	30		CFEDRM
Cc1ccc2[nH]cc(C=NNc3nc(C)cc(=O)[nH]3)c2c1	ZINC000735609177	574331065	/nfs/dbraw/zinc/33/10/65/574331065.db2.gz	OWKKJDFEMQMHRY-UHFFFAOYSA-N	-1	0	281.319	2.726	20	30		CFEDRM
CC(C)N=Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000735684232	574333642	/nfs/dbraw/zinc/33/36/42/574333642.db2.gz	KIKQZOXOZBFRNP-UHFFFAOYSA-N	-1	0	284.245	2.693	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccccc1C(=O)[O-]	ZINC000755813699	574345190	/nfs/dbraw/zinc/34/51/90/574345190.db2.gz	HKYXFJNTSBFMOK-ZDUSSCGKSA-N	-1	0	263.293	2.652	20	30		CFEDRM
C=CCNC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000736106195	574350387	/nfs/dbraw/zinc/35/03/87/574350387.db2.gz	SUNYHWPHGNJTSI-UHFFFAOYSA-N	-1	0	278.377	2.521	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736096061	574351186	/nfs/dbraw/zinc/35/11/86/574351186.db2.gz	HGDBXACUNPVUFK-JTQLQIEISA-N	-1	0	277.324	2.887	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOC2CCC2)c1[O-]	ZINC000743044925	574352504	/nfs/dbraw/zinc/35/25/04/574352504.db2.gz	UJZHHENCPCKSRZ-OVCLIPMQSA-N	-1	0	298.726	2.942	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccco3)nc1-2	ZINC000750724614	574352732	/nfs/dbraw/zinc/35/27/32/574352732.db2.gz	OCILSZQLOSJDBG-QMAVJUDZSA-N	-1	0	292.298	2.749	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000736248456	574356646	/nfs/dbraw/zinc/35/66/46/574356646.db2.gz	JGEXTUZHIRWXGR-UHFFFAOYSA-N	-1	0	288.347	2.787	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000736248224	574356648	/nfs/dbraw/zinc/35/66/48/574356648.db2.gz	HKRRQRGGNUKUOF-CHWSQXEVSA-N	-1	0	294.395	2.666	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000398061424	574362356	/nfs/dbraw/zinc/36/23/56/574362356.db2.gz	CJZWINLHFQFCIB-JSGCOSHPSA-N	-1	0	290.363	2.856	20	30		CFEDRM
COCc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000743417559	574363187	/nfs/dbraw/zinc/36/31/87/574363187.db2.gz	LIAXGIKHXKNNJE-UHFFFAOYSA-N	-1	0	284.315	2.977	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@H]2CCCO[C@H]21	ZINC000743431396	574364195	/nfs/dbraw/zinc/36/41/95/574364195.db2.gz	YNWYTGYOSLZYNY-BXUZGUMPSA-N	-1	0	288.347	2.988	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1	ZINC000751070698	574369050	/nfs/dbraw/zinc/36/90/50/574369050.db2.gz	NWXLAOSNERNHSY-YABSGUDNSA-N	-1	0	256.305	2.639	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)n3ccccc23)n1	ZINC000744010771	574375852	/nfs/dbraw/zinc/37/58/52/574375852.db2.gz	OTJGGLPIBHBDQU-NSHDSACASA-N	-1	0	296.355	2.898	20	30		CFEDRM
CC(=NN=Cc1cccc(Cl)c1[O-])c1cnccn1	ZINC000753166251	574399664	/nfs/dbraw/zinc/39/96/64/574399664.db2.gz	DCNNAOJVLUVUPH-UHFFFAOYSA-N	-1	0	274.711	2.679	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1ccc(C(=O)[O-])s1	ZINC000753711269	574408571	/nfs/dbraw/zinc/40/85/71/574408571.db2.gz	HYNJWEPOMOQHEF-ONEGZZNKSA-N	-1	0	276.317	2.559	20	30		CFEDRM
N#CC1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC000819084375	597314097	/nfs/dbraw/zinc/31/40/97/597314097.db2.gz	NZQCGMIPPXXPFD-UHFFFAOYSA-N	-1	0	287.315	2.902	20	30		CFEDRM
N#Cc1ccsc1C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819111455	597314277	/nfs/dbraw/zinc/31/42/77/597314277.db2.gz	UXBILJAGYOTDRX-UHFFFAOYSA-N	-1	0	287.296	2.675	20	30		CFEDRM
CCc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1C	ZINC000820474301	597609770	/nfs/dbraw/zinc/60/97/70/597609770.db2.gz	MNPVXVFBNDOYFR-OAHLLOKOSA-N	-1	0	274.320	2.501	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)OCc1cccc2ccccc21	ZINC000819873392	597616721	/nfs/dbraw/zinc/61/67/21/597616721.db2.gz	AYCOGGVSIMAEPP-QGZVFWFLSA-N	-1	0	297.310	2.888	20	30		CFEDRM
O=C([O-])CCNN=Cc1ccc(-c2c(F)cccc2F)o1	ZINC000821524665	597739528	/nfs/dbraw/zinc/73/95/28/597739528.db2.gz	NZUMSAVNJMKUQP-UHFFFAOYSA-N	-1	0	294.257	2.623	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cc(O)cc(O)c2)c1	ZINC000774134910	598201780	/nfs/dbraw/zinc/20/17/80/598201780.db2.gz	HGFBWAXVYYOPOT-PLNGDYQASA-N	-1	0	284.267	2.692	20	30		CFEDRM
Cc1cccc([C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821107222	598228256	/nfs/dbraw/zinc/22/82/56/598228256.db2.gz	OLCUGLWBNRXSPG-NHYWBVRUSA-N	-1	0	275.304	2.604	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000163177690	600269779	/nfs/dbraw/zinc/26/97/79/600269779.db2.gz	VSNHTZWWVBADIT-QMMMGPOBSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=CCN(Cc1cc(C(=O)[O-])co1)CC(F)(F)F	ZINC000688889083	600499560	/nfs/dbraw/zinc/49/95/60/600499560.db2.gz	OIWSYCFUYRYUQY-UHFFFAOYSA-N	-1	0	263.215	2.528	20	30		CFEDRM
C=C(C)CCOC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000825642074	600962557	/nfs/dbraw/zinc/96/25/57/600962557.db2.gz	HNPJQMCEBKIDPO-UHFFFAOYSA-N	-1	0	287.315	2.849	20	30		CFEDRM
N#CCN(CCCSc1ccccc1Cl)CC(=O)[O-]	ZINC000833066618	601004086	/nfs/dbraw/zinc/00/40/86/601004086.db2.gz	DAXLXTGSHLECAJ-UHFFFAOYSA-N	-1	0	298.795	2.732	20	30		CFEDRM
CCC(CC)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000828854637	601109171	/nfs/dbraw/zinc/10/91/71/601109171.db2.gz	NUTBQNBOSVIXLI-CYBMUJFWSA-N	-1	0	275.304	2.663	20	30		CFEDRM
N#Cc1ccc(/C=C(\C(=O)[O-])c2ccncc2)s1	ZINC000833070700	601200394	/nfs/dbraw/zinc/20/03/94/601200394.db2.gz	AACROMGNFWAJGY-GHXNOFRVSA-N	-1	0	256.286	2.640	20	30		CFEDRM
Cc1csc(C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1	ZINC000832988856	601235869	/nfs/dbraw/zinc/23/58/69/601235869.db2.gz	KTBCNCFGYOTLFI-OUAUKWLOSA-N	-1	0	292.360	2.519	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000164743925	601242440	/nfs/dbraw/zinc/24/24/40/601242440.db2.gz	LYIACEJIAAZROX-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
CN(C(=O)c1ccc(C#N)s1)c1ccccc1C(=O)[O-]	ZINC000830522780	601275782	/nfs/dbraw/zinc/27/57/82/601275782.db2.gz	BDDHVRKULQIBIC-UHFFFAOYSA-N	-1	0	286.312	2.595	20	30		CFEDRM
Cc1oc(COC(=O)c2ccc(C#N)s2)cc1C(=O)[O-]	ZINC000833026037	601276172	/nfs/dbraw/zinc/27/61/72/601276172.db2.gz	CNAYBOHAWKZZGB-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
COCc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000831821614	601299472	/nfs/dbraw/zinc/29/94/72/601299472.db2.gz	BRWLRCAFUBZBPN-INIZCTEOSA-N	-1	0	296.326	2.942	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CNc1ccc(C)c(C(=O)[O-])c1	ZINC000825642156	601302288	/nfs/dbraw/zinc/30/22/88/601302288.db2.gz	IUMVTKUWQNHRDH-UHFFFAOYSA-N	-1	0	290.363	2.530	20	30		CFEDRM
Cc1noc(C)c1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833020004	601305459	/nfs/dbraw/zinc/30/54/59/601305459.db2.gz	KAOJEMWVZIACNG-BJOHPYRUSA-N	-1	0	299.330	2.640	20	30		CFEDRM
Cc1cc(C)c2c(c1)OC/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832874628	601331644	/nfs/dbraw/zinc/33/16/44/601331644.db2.gz	OIDUIZACHZFREP-XFFZJAGNSA-N	-1	0	297.310	2.988	20	30		CFEDRM
Cc1cccc2c1C/C(=C/c1ccc(C(=O)[O-])[nH]1)C2=O	ZINC000832974405	601331885	/nfs/dbraw/zinc/33/18/85/601331885.db2.gz	KNUFLPPSQFXLIH-YFHOEESVSA-N	-1	0	267.284	2.844	20	30		CFEDRM
Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)C2	ZINC000832962308	601332734	/nfs/dbraw/zinc/33/27/34/601332734.db2.gz	TXJDIGKKDPGKRL-FLIBITNWSA-N	-1	0	267.284	2.844	20	30		CFEDRM
CCC/C=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829266063	601349073	/nfs/dbraw/zinc/34/90/73/601349073.db2.gz	FZSAJORMJVBNMA-SMGNDMQFSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)C1CC1	ZINC000827392119	601350890	/nfs/dbraw/zinc/35/08/90/601350890.db2.gz	SOWHFYKUXWHBEU-BONVTDFDSA-N	-1	0	287.315	2.663	20	30		CFEDRM
CCCCC[C@@H](/N=C/c1c(O)cccc1OC)C(=O)[O-]	ZINC000829311834	601365310	/nfs/dbraw/zinc/36/53/10/601365310.db2.gz	MPHLTYGCGWURCG-HMHNVIDESA-N	-1	0	279.336	2.853	20	30		CFEDRM
O=C([O-])[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1	ZINC000833189981	601390043	/nfs/dbraw/zinc/39/00/43/601390043.db2.gz	FQBVFJKFOJLCQZ-CYBMUJFWSA-N	-1	0	297.276	2.606	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000825671500	601434966	/nfs/dbraw/zinc/43/49/66/601434966.db2.gz	RLVJBQNXPHHWFO-SNVBAGLBSA-N	-1	0	267.350	2.736	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/Cc3ccccc3C2=O)[nH]1	ZINC000833311914	601444695	/nfs/dbraw/zinc/44/46/95/601444695.db2.gz	FMSTVMURQVQFMV-NTMALXAHSA-N	-1	0	253.257	2.535	20	30		CFEDRM
C[C@@H](CC#N)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000147494508	601625380	/nfs/dbraw/zinc/62/53/80/601625380.db2.gz	ORMQLAOBEAJVOK-QMMMGPOBSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C=C[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825659774	601680472	/nfs/dbraw/zinc/68/04/72/601680472.db2.gz	DKUXRNCUNINUFF-WILPJHFFSA-N	-1	0	262.265	2.679	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)c[nH]1	ZINC000833092892	601791464	/nfs/dbraw/zinc/79/14/64/601791464.db2.gz	PAGXGHXWMFENAI-PLNGDYQASA-N	-1	0	286.243	2.517	20	30		CFEDRM
Cc1ccc2c(c1)C/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832961530	601793080	/nfs/dbraw/zinc/79/30/80/601793080.db2.gz	DVAJFSTZTVCDQC-LFYBBSHMSA-N	-1	0	267.284	2.844	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\COc3c(F)cccc3C2=O)c[nH]1	ZINC000833297743	601793471	/nfs/dbraw/zinc/79/34/71/601793471.db2.gz	JFSYUOVAZHPCJL-RUDMXATFSA-N	-1	0	287.246	2.511	20	30		CFEDRM
O=C([O-])c1cc(/C=C2\CCc3sccc3C2=O)c[nH]1	ZINC000833298415	601793519	/nfs/dbraw/zinc/79/35/19/601793519.db2.gz	UIYBLMFRGZXTGQ-WEVVVXLNSA-N	-1	0	273.313	2.987	20	30		CFEDRM
CCc1nc2ccccc2n1N=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814787501	601796791	/nfs/dbraw/zinc/79/67/91/601796791.db2.gz	NZOXFJRNMVRULY-UHFFFAOYSA-N	-1	0	282.303	2.507	20	30		CFEDRM
C=CCCOCC(=O)Nc1scc(C2CC2)c1C(=O)[O-]	ZINC000825676190	601809586	/nfs/dbraw/zinc/80/95/86/601809586.db2.gz	YXEBUORRABNDKS-UHFFFAOYSA-N	-1	0	295.360	2.855	20	30		CFEDRM
C[C@H](CSCCCOc1cccc(C#N)c1)C(=O)[O-]	ZINC000827575094	601974243	/nfs/dbraw/zinc/97/42/43/601974243.db2.gz	KNAAYONWGCUVAR-LLVKDONJSA-N	-1	0	279.361	2.781	20	30		CFEDRM
N#CC1(C(=O)NCCCCCCCC(=O)[O-])CCCC1	ZINC000238093512	602023491	/nfs/dbraw/zinc/02/34/91/602023491.db2.gz	KAIVLULRMFWNJS-UHFFFAOYSA-N	-1	0	280.368	2.612	20	30		CFEDRM
O=C(C#Cc1ccccc1)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833092039	602050680	/nfs/dbraw/zinc/05/06/80/602050680.db2.gz	LOUQEJNRFARQDS-HOTGVXAUSA-N	-1	0	299.370	2.578	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(=O)[O-]	ZINC000794857114	602065649	/nfs/dbraw/zinc/06/56/49/602065649.db2.gz	VYOYWBRCQAQELB-GFCCVEGCSA-N	-1	0	284.315	2.985	20	30		CFEDRM
N#Cc1ccnc(Nc2ccc(NC(=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000833076599	602127651	/nfs/dbraw/zinc/12/76/51/602127651.db2.gz	JYLXSZJGKGKESE-UHFFFAOYSA-N	-1	0	299.246	2.695	20	30		CFEDRM
C#CCCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000825605742	602147039	/nfs/dbraw/zinc/14/70/39/602147039.db2.gz	PKECZJYTWVXIJF-CLFYSBASSA-N	-1	0	288.303	2.908	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1C#N	ZINC000128987544	602147254	/nfs/dbraw/zinc/14/72/54/602147254.db2.gz	ZQXVLPMUTSYATR-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833076864	602182418	/nfs/dbraw/zinc/18/24/18/602182418.db2.gz	QTOHXKPITWNOBS-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
C[C@H](CN(Cc1ccccc1)c1ncccc1C#N)C(=O)[O-]	ZINC000827456176	602237252	/nfs/dbraw/zinc/23/72/52/602237252.db2.gz	RVTYEYOXPIUMPP-CYBMUJFWSA-N	-1	0	295.342	2.681	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000833077058	602360469	/nfs/dbraw/zinc/36/04/69/602360469.db2.gz	XDXLVGYGGCWAAD-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
N#CC1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1	ZINC000738423966	602599210	/nfs/dbraw/zinc/59/92/10/602599210.db2.gz	XNOGDDRFYUVLHO-UHFFFAOYSA-N	-1	0	288.307	2.544	20	30		CFEDRM
Cc1ccc(C(=O)NCCCCC#N)cc1NC(=O)[O-]	ZINC000830216487	602853681	/nfs/dbraw/zinc/85/36/81/602853681.db2.gz	IEAXXYXOBBMMAM-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
CN(CC1CCN(c2ccc(F)cc2C#N)CC1)C(=O)[O-]	ZINC000828266361	603185863	/nfs/dbraw/zinc/18/58/63/603185863.db2.gz	FIRAQRCUSXFBGG-UHFFFAOYSA-N	-1	0	291.326	2.524	20	30		CFEDRM
N#Cc1cccc(Cl)c1N[C@@H]1CCCN(C(=O)[O-])C1	ZINC000831146444	603191613	/nfs/dbraw/zinc/19/16/13/603191613.db2.gz	PMUHAYMANBFWFD-SNVBAGLBSA-N	-1	0	279.727	2.766	20	30		CFEDRM
Cc1nnc(Oc2ccc(NC(=O)[O-])cc2)c(C#N)c1C	ZINC000830887900	603196430	/nfs/dbraw/zinc/19/64/30/603196430.db2.gz	WIQWGGOEPYZNKM-UHFFFAOYSA-N	-1	0	284.275	2.847	20	30		CFEDRM
Cc1ccc(C(=O)OCCCCC#N)cc1NC(=O)[O-]	ZINC000830237720	603448649	/nfs/dbraw/zinc/44/86/49/603448649.db2.gz	LSSHERSDUVBGQG-UHFFFAOYSA-N	-1	0	276.292	2.936	20	30		CFEDRM
Cc1ccnc(N=NC(C)[C@H]2CCCCN2C(=O)[O-])c1	ZINC000823532695	603485997	/nfs/dbraw/zinc/48/59/97/603485997.db2.gz	MYERRTSMVVKUHC-GFCCVEGCSA-N	-1	0	276.340	2.710	20	30		CFEDRM
CC(C)(CNc1ccc(C#N)c(Cl)c1)NC(=O)[O-]	ZINC000824011355	603519172	/nfs/dbraw/zinc/51/91/72/603519172.db2.gz	IPURBXPOJNJZLA-UHFFFAOYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1Cl)C(=O)[O-]	ZINC000900337830	620660850	/nfs/dbraw/zinc/66/08/50/620660850.db2.gz	OQRZGOGBQJEAMJ-LLVKDONJSA-N	-1	0	294.738	2.555	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1cccc(F)c1F	ZINC000832451032	603634379	/nfs/dbraw/zinc/63/43/79/603634379.db2.gz	IHRZFSHLHQFMBA-QMMMGPOBSA-N	-1	0	283.278	2.800	20	30		CFEDRM
C=C[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823490922	603726020	/nfs/dbraw/zinc/72/60/20/603726020.db2.gz	NUKQSHOLMVAXMJ-ZETCQYMHSA-N	-1	0	268.700	2.734	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823490920	603726290	/nfs/dbraw/zinc/72/62/90/603726290.db2.gz	NUKQSHOLMVAXMJ-SSDOTTSWSA-N	-1	0	268.700	2.734	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(OC)cc1C)C(=O)[O-]	ZINC000900327930	620662267	/nfs/dbraw/zinc/66/22/67/620662267.db2.gz	FRPGROBDNLKCSZ-CYBMUJFWSA-N	-1	0	292.335	2.545	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(F)c1C)C(=O)[O-]	ZINC000900328765	620662293	/nfs/dbraw/zinc/66/22/93/620662293.db2.gz	VVHFTRIZQJTKIR-GFCCVEGCSA-N	-1	0	280.299	2.675	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)NC2(C(=O)[O-])CCC2)c1	ZINC000900355552	620664132	/nfs/dbraw/zinc/66/41/32/620664132.db2.gz	PDXHJUVCDCWSDV-UHFFFAOYSA-N	-1	0	274.320	2.849	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCCC1	ZINC000831070945	603949015	/nfs/dbraw/zinc/94/90/15/603949015.db2.gz	VMHULZRYLMJXAU-UHFFFAOYSA-N	-1	0	299.330	2.750	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490738	604047876	/nfs/dbraw/zinc/04/78/76/604047876.db2.gz	KNYBLWPWBYQFSE-CYBMUJFWSA-N	-1	0	294.395	2.651	20	30		CFEDRM
C=CCC(CC=C)C(=O)OC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823490753	604069548	/nfs/dbraw/zinc/06/95/48/604069548.db2.gz	KRGARCYVUJKICV-GFCCVEGCSA-N	-1	0	281.352	2.688	20	30		CFEDRM
Cc1ccc(N=NC(C)[C@H]2CCCCN2C(=O)[O-])nc1	ZINC000823533030	604087668	/nfs/dbraw/zinc/08/76/68/604087668.db2.gz	PIAPJXGYNIDCMF-GFCCVEGCSA-N	-1	0	276.340	2.710	20	30		CFEDRM
C#CCCCOC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823445397	604231583	/nfs/dbraw/zinc/23/15/83/604231583.db2.gz	ZMSORZGBPXMKJI-UHFFFAOYSA-N	-1	0	261.277	2.655	20	30		CFEDRM
C=CCCOC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823496928	604232567	/nfs/dbraw/zinc/23/25/67/604232567.db2.gz	SYTXRLDDCVRQLX-WCQYABFASA-N	-1	0	277.320	2.751	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823473547	604303410	/nfs/dbraw/zinc/30/34/10/604303410.db2.gz	GCJOXBYIORXLIV-ZIAGYGMSSA-N	-1	0	296.411	2.827	20	30		CFEDRM
C[C@@H](NC(=O)[O-])c1ccc(CNc2ccc(C#N)cn2)cc1	ZINC000825403377	604347660	/nfs/dbraw/zinc/34/76/60/604347660.db2.gz	WKXLAGXSTJDKQS-LLVKDONJSA-N	-1	0	296.330	2.894	20	30		CFEDRM
C[C@@H](c1ccccn1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833548956	604564883	/nfs/dbraw/zinc/56/48/83/604564883.db2.gz	ITOXHNZPCXSWBD-LBPRGKRZSA-N	-1	0	295.342	2.844	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1ccc(C(=O)[O-])cc1)OCC	ZINC000833368604	604596836	/nfs/dbraw/zinc/59/68/36/604596836.db2.gz	MULSOJSUYINDPE-CQSZACIVSA-N	-1	0	292.331	2.799	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1	ZINC000833370625	604599076	/nfs/dbraw/zinc/59/90/76/604599076.db2.gz	FMLQCUIVPIYRAR-SNVBAGLBSA-N	-1	0	294.376	2.949	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833489009	604609265	/nfs/dbraw/zinc/60/92/65/604609265.db2.gz	WNPJDNFALVHQTG-UHFFFAOYSA-N	-1	0	285.347	2.628	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])OCC	ZINC000833367576	604620054	/nfs/dbraw/zinc/62/00/54/604620054.db2.gz	OFZNOVCALHIORN-LBPRGKRZSA-N	-1	0	295.310	2.834	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2nccs2)cc1	ZINC000833309830	604628199	/nfs/dbraw/zinc/62/81/99/604628199.db2.gz	GDDPIZXPEDISJV-AATRIKPKSA-N	-1	0	259.286	2.737	20	30		CFEDRM
Cc1cc(N=NC(C)[C@H](C)CCCCC(=O)[O-])ncn1	ZINC000814846459	604640720	/nfs/dbraw/zinc/64/07/20/604640720.db2.gz	ROUYYPWCOAWKOO-SNVBAGLBSA-N	-1	0	278.356	2.854	20	30		CFEDRM
Cc1cc(N=NC(C)[C@@H](C)CCCCC(=O)[O-])ncn1	ZINC000814846458	604640976	/nfs/dbraw/zinc/64/09/76/604640976.db2.gz	ROUYYPWCOAWKOO-JTQLQIEISA-N	-1	0	278.356	2.854	20	30		CFEDRM
C[C@@H]1Cc2ccccc2C1N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372124	604669387	/nfs/dbraw/zinc/66/93/87/604669387.db2.gz	UEEZOVHYFWFBLN-SNVBAGLBSA-N	-1	0	281.315	2.788	20	30		CFEDRM
C[C@@H](CC(=O)[O-])C(=O)OCc1ccccc1C(C)(C)C#N	ZINC000827349807	604691838	/nfs/dbraw/zinc/69/18/38/604691838.db2.gz	SRTSQALMJDFRQM-NSHDSACASA-N	-1	0	289.331	2.642	20	30		CFEDRM
Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)oc1C	ZINC000832868558	604696197	/nfs/dbraw/zinc/69/61/97/604696197.db2.gz	OUKONMOUIPOKIZ-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000761644839	604778282	/nfs/dbraw/zinc/77/82/82/604778282.db2.gz	SYJZLDWIVVGGHQ-IUODEOHRSA-N	-1	0	287.359	2.716	20	30		CFEDRM
O=Cc1cc(C(=O)[O-])ccc1OCC#Cc1ccc(F)cc1	ZINC000833358970	604801507	/nfs/dbraw/zinc/80/15/07/604801507.db2.gz	JSDQAPMLLALPCE-UHFFFAOYSA-N	-1	0	298.269	2.767	20	30		CFEDRM
CC(C)(C)[C@H](Nc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000833424063	604831877	/nfs/dbraw/zinc/83/18/77/604831877.db2.gz	FYFTVKIEDXFUCS-ZCFIWIBFSA-N	-1	0	273.745	2.579	20	30		CFEDRM
CC(C)CN(CCC(=O)[O-])c1snc(Cl)c1C#N	ZINC000833486701	604832001	/nfs/dbraw/zinc/83/20/01/604832001.db2.gz	PGEHGZCWBIKOSZ-UHFFFAOYSA-N	-1	0	287.772	2.605	20	30		CFEDRM
C=CCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000833372912	604858153	/nfs/dbraw/zinc/85/81/53/604858153.db2.gz	ARHNJEUOGGJWJF-CYBMUJFWSA-N	-1	0	273.332	2.948	20	30		CFEDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2)C1	ZINC000134981844	604872092	/nfs/dbraw/zinc/87/20/92/604872092.db2.gz	VHWRSNMABUIZGJ-ZDUSSCGKSA-N	-1	0	272.348	2.885	20	30		CFEDRM
C=CCCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1	ZINC000833373296	604875388	/nfs/dbraw/zinc/87/53/88/604875388.db2.gz	KBVRPRLXONXVTA-UHFFFAOYSA-N	-1	0	266.322	2.623	20	30		CFEDRM
C=C(Cl)CN1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000148061255	604951379	/nfs/dbraw/zinc/95/13/79/604951379.db2.gz	DPFAJZRRBOIPSP-SNVBAGLBSA-N	-1	0	251.713	2.817	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])cs1)C1CC1	ZINC000833375108	604969989	/nfs/dbraw/zinc/96/99/89/604969989.db2.gz	WOKKSWBEOHPRMT-UHFFFAOYSA-N	-1	0	266.322	2.629	20	30		CFEDRM
CC(=NOCC(C)C)c1ccc(OCC(=O)[O-])cc1	ZINC000833387071	604989183	/nfs/dbraw/zinc/98/91/83/604989183.db2.gz	MUSQNLDMUVLUSO-UHFFFAOYSA-N	-1	0	265.309	2.547	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000833362787	605009263	/nfs/dbraw/zinc/00/92/63/605009263.db2.gz	LBIZMZKRQPGXTR-UHFFFAOYSA-N	-1	0	274.320	2.933	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000234874992	605009958	/nfs/dbraw/zinc/00/99/58/605009958.db2.gz	XVMWGNYWPOGWSJ-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
C#CCCCCC(=O)OC1CCC(CC(=O)[O-])CC1	ZINC000833362866	605020577	/nfs/dbraw/zinc/02/05/77/605020577.db2.gz	NZHXPCSEWRLAKV-UHFFFAOYSA-N	-1	0	266.337	2.757	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(F)cc1F	ZINC000833406012	605038231	/nfs/dbraw/zinc/03/82/31/605038231.db2.gz	JUOJLXJTKDPDCJ-VIFPVBQESA-N	-1	0	293.273	2.858	20	30		CFEDRM
CC1=C(C(=O)[O-])C[C@H](CSc2cccc(C#N)c2)O1	ZINC000833582626	605060716	/nfs/dbraw/zinc/06/07/16/605060716.db2.gz	WYLLXCPTCYVVON-LLVKDONJSA-N	-1	0	275.329	2.798	20	30		CFEDRM
C=C[C@H](CC)OC(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000833371890	605085888	/nfs/dbraw/zinc/08/58/88/605085888.db2.gz	WCJZAGTVDILZQD-SECBINFHSA-N	-1	0	252.241	2.645	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000405306399	605086320	/nfs/dbraw/zinc/08/63/20/605086320.db2.gz	XPBFUJSRTTUCQA-CHWSQXEVSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)C1CCC(C(=O)[O-])CC1	ZINC000833373390	605119216	/nfs/dbraw/zinc/11/92/16/605119216.db2.gz	NDRBITMMYRWNSB-UNXYVOJBSA-N	-1	0	254.326	2.775	20	30		CFEDRM
CN(CC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833691221	605127587	/nfs/dbraw/zinc/12/75/87/605127587.db2.gz	LKZVEWMBOCMAOE-JTQLQIEISA-N	-1	0	273.119	2.574	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1ccc(NC(=O)[O-])cc1	ZINC000833406578	605159142	/nfs/dbraw/zinc/15/91/42/605159142.db2.gz	AWANLZUGGPHSSQ-UHFFFAOYSA-N	-1	0	276.292	2.873	20	30		CFEDRM
N#Cc1c(F)cccc1N(CCc1ccccc1)CC(=O)[O-]	ZINC000833760823	605207083	/nfs/dbraw/zinc/20/70/83/605207083.db2.gz	DLHYVHNXKBEQSY-UHFFFAOYSA-N	-1	0	298.317	2.831	20	30		CFEDRM
C[C@H](CC#N)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000833516477	605213472	/nfs/dbraw/zinc/21/34/72/605213472.db2.gz	XTOZENQMICDKRH-LLVKDONJSA-N	-1	0	299.330	2.774	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000833430604	605235460	/nfs/dbraw/zinc/23/54/60/605235460.db2.gz	XUTRBXSMVOIXLH-LBPRGKRZSA-N	-1	0	275.304	2.604	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(OCC(=O)[O-])cc1	ZINC000833487787	605293901	/nfs/dbraw/zinc/29/39/01/605293901.db2.gz	IKNKJXCCIZVFNE-UHFFFAOYSA-N	-1	0	290.363	2.522	20	30		CFEDRM
Cc1cc(C(=O)N(C)C2(C#N)CCC2)ccc1NC(=O)[O-]	ZINC000829909571	605428329	/nfs/dbraw/zinc/42/83/29/605428329.db2.gz	VNGKYOHEXKDOET-UHFFFAOYSA-N	-1	0	287.319	2.603	20	30		CFEDRM
O=C([O-])NCCCN=Nc1cccc(C(F)(F)F)c1	ZINC000832605104	605459345	/nfs/dbraw/zinc/45/93/45/605459345.db2.gz	IVCWWFCXTUOBKH-UHFFFAOYSA-N	-1	0	275.230	2.761	20	30		CFEDRM
C=CCCCC(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000833373407	605512825	/nfs/dbraw/zinc/51/28/25/605512825.db2.gz	NNGGLCUDFXHWIG-ZDUSSCGKSA-N	-1	0	280.295	2.721	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823500951	605561582	/nfs/dbraw/zinc/56/15/82/605561582.db2.gz	NTBJEKOPUYRITA-CQSZACIVSA-N	-1	0	288.347	2.586	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000779710675	605575523	/nfs/dbraw/zinc/57/55/23/605575523.db2.gz	AWRKKEGVTNKZRC-XBXARRHUSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C#CCCCCCC(=O)Oc1c(OC)cccc1C(=O)[O-]	ZINC000833361816	605600446	/nfs/dbraw/zinc/60/04/46/605600446.db2.gz	NJCTZRAOQOAUPI-UHFFFAOYSA-N	-1	0	290.315	2.883	20	30		CFEDRM
CC[C@H](C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833637350	605671830	/nfs/dbraw/zinc/67/18/30/605671830.db2.gz	DCDSCVCZUWRFQY-COPLHBTASA-N	-1	0	289.331	2.909	20	30		CFEDRM
CC[C@H](C)[C@@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833639341	605672467	/nfs/dbraw/zinc/67/24/67/605672467.db2.gz	SUCDAUZBANSWOK-WDEREUQCSA-N	-1	0	289.331	2.982	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)NC(=O)[O-])c1ccccc1	ZINC000823497186	605712774	/nfs/dbraw/zinc/71/27/74/605712774.db2.gz	XVCKMCTVVFQRJI-JSGCOSHPSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CC)NC(=O)[O-])c1ccccc1	ZINC000823497138	605713009	/nfs/dbraw/zinc/71/30/09/605713009.db2.gz	WPBMSLCLOOECNY-KBPBESRZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1N=Nc1ccccn1	ZINC000834103882	605724191	/nfs/dbraw/zinc/72/41/91/605724191.db2.gz	IJNLIDBZEALHJM-YPMHNXCESA-N	-1	0	288.351	2.792	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NO[C@H]1CCCCO1	ZINC000834102407	605725270	/nfs/dbraw/zinc/72/52/70/605725270.db2.gz	DLUGZPXNUZNXJD-YUTCNCBUSA-N	-1	0	296.367	2.828	20	30		CFEDRM
N#CC1(COC(=O)CC2(NC(=O)[O-])CCC2)CCCCC1	ZINC000833964439	605779712	/nfs/dbraw/zinc/77/97/12/605779712.db2.gz	HGJLTQKQTUXPKM-UHFFFAOYSA-N	-1	0	294.351	2.584	20	30		CFEDRM
CC(C[C@@H]1CCCN1C(=O)[O-])N=Nc1ccnc(F)c1	ZINC000833804631	605855287	/nfs/dbraw/zinc/85/52/87/605855287.db2.gz	WXJOOLVTGRNVFK-NSHDSACASA-N	-1	0	280.303	2.541	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1ccc2ccccc2n1	ZINC000834167522	605857071	/nfs/dbraw/zinc/85/70/71/605857071.db2.gz	BVQHVOGDKMFJHG-GFCCVEGCSA-N	-1	0	284.319	2.823	20	30		CFEDRM
C=CCN(C(=O)c1sc(NC(=O)[O-])nc1C)C(C)C	ZINC000833788079	605941070	/nfs/dbraw/zinc/94/10/70/605941070.db2.gz	MQHBTLLJWMOQDT-UHFFFAOYSA-N	-1	0	283.353	2.578	20	30		CFEDRM
O=C([O-])Nc1ncccc1C=NNc1ccccc1	ZINC000834283438	605954704	/nfs/dbraw/zinc/95/47/04/605954704.db2.gz	PBGINDSORHSYAV-UHFFFAOYSA-N	-1	0	256.265	2.618	20	30		CFEDRM
N#C[C@@H](OC(=O)CC1(NC(=O)[O-])CCC1)C1CCCCC1	ZINC000833960431	606017375	/nfs/dbraw/zinc/01/73/75/606017375.db2.gz	IUZNFAYXGWYESA-GFCCVEGCSA-N	-1	0	294.351	2.582	20	30		CFEDRM
N#C[C@@H](C(=O)Cc1ccccc1NC(=O)[O-])c1ccccn1	ZINC000833959711	606090943	/nfs/dbraw/zinc/09/09/43/606090943.db2.gz	CSBYXNYERGYVPA-GFCCVEGCSA-N	-1	0	295.298	2.590	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cc2c(cc1O)OCO2	ZINC000890811657	617909778	/nfs/dbraw/zinc/90/97/78/617909778.db2.gz	LECVLKPWYARXQA-UHFFFAOYSA-N	-1	0	277.320	2.549	20	30		CFEDRM
C=C[C@H]1CCCCN1c1nc(C)c(C(=O)[O-])s1	ZINC000900950029	620731625	/nfs/dbraw/zinc/73/16/25/620731625.db2.gz	ALLOJCZSZHZCOG-VIFPVBQESA-N	-1	0	252.339	2.695	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)c(C(=O)[O-])s1	ZINC000900940510	620733819	/nfs/dbraw/zinc/73/38/19/620733819.db2.gz	JHRQRLZWCRCNRB-NXEZZACHSA-N	-1	0	282.365	2.543	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCO2)cc1C	ZINC000048474473	618072220	/nfs/dbraw/zinc/07/22/20/618072220.db2.gz	BKTAEROKVVAGBG-GFCCVEGCSA-N	-1	0	297.376	2.518	20	30		CFEDRM
CC[C@H](CNc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000900976129	620735844	/nfs/dbraw/zinc/73/58/44/620735844.db2.gz	HWHMLSKJEUOWJC-LLVKDONJSA-N	-1	0	269.304	2.629	20	30		CFEDRM
CCc1ccc(CCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418068	617604123	/nfs/dbraw/zinc/60/41/23/617604123.db2.gz	FSFQZIYQUJMGRP-UHFFFAOYSA-N	-1	0	283.393	2.876	20	30		CFEDRM
CCCCOc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049417793	617604281	/nfs/dbraw/zinc/60/42/81/617604281.db2.gz	LGUAZSNSOQYHGC-UHFFFAOYSA-N	-1	0	299.392	2.908	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cccc(Br)c1[O-]	ZINC000890557071	617650000	/nfs/dbraw/zinc/65/00/00/617650000.db2.gz	RJNQPXAKSJBNCK-SECBINFHSA-N	-1	0	296.164	2.945	20	30		CFEDRM
CC[C@H](O)CNN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000811654571	617680081	/nfs/dbraw/zinc/68/00/81/617680081.db2.gz	YRQKDOWEBRXXFP-QMMMGPOBSA-N	-1	0	291.178	2.784	20	30		CFEDRM
C[C@H](Oc1cccc(C=NOC/C=C\Cl)c1)C(=O)[O-]	ZINC000811670636	617711615	/nfs/dbraw/zinc/71/16/15/617711615.db2.gz	XIEIAZDPCJQVGV-RHGUPMBWSA-N	-1	0	283.711	2.642	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2nc(C#N)cs2)c([O-])c1	ZINC000811690678	617720707	/nfs/dbraw/zinc/72/07/07/617720707.db2.gz	DPELCEJWQBLQAD-SNAWJCMRSA-N	-1	0	286.312	2.625	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806559392	617726837	/nfs/dbraw/zinc/72/68/37/617726837.db2.gz	ZIEVWEGIKNGQRZ-VOTSOKGWSA-N	-1	0	271.272	2.886	20	30		CFEDRM
C#C[C@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000890649224	617735125	/nfs/dbraw/zinc/73/51/25/617735125.db2.gz	ADILEOSBOUXHRY-JTQLQIEISA-N	-1	0	281.714	2.813	20	30		CFEDRM
CC(=NOCCOC(C)C)c1cc(F)cc(F)c1[O-]	ZINC000812238950	617751168	/nfs/dbraw/zinc/75/11/68/617751168.db2.gz	JYHJWDSXOGNZQU-UHFFFAOYSA-N	-1	0	273.279	2.836	20	30		CFEDRM
CS[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000901204911	620764594	/nfs/dbraw/zinc/76/45/94/620764594.db2.gz	HQMYMZPNQSFAMP-NSHDSACASA-N	-1	0	279.365	2.853	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250913	618013799	/nfs/dbraw/zinc/01/37/99/618013799.db2.gz	NTHHVOQATMHPJB-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(CC#N)cc1	ZINC000051601968	618024213	/nfs/dbraw/zinc/02/42/13/618024213.db2.gz	QGYDCDVHKYURII-UHFFFAOYSA-N	-1	0	289.335	2.518	20	30		CFEDRM
O=C(CCC(F)(F)F)[N-]S(=O)(=O)Cc1ccccc1	ZINC000076766182	618042298	/nfs/dbraw/zinc/04/22/98/618042298.db2.gz	HDBRJQCUIGJCEU-UHFFFAOYSA-N	-1	0	295.282	2.815	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NN[C@H]1CCCOC1	ZINC000780261174	618070907	/nfs/dbraw/zinc/07/09/07/618070907.db2.gz	LNFGGJGWAYCFAP-JTQLQIEISA-N	-1	0	289.162	2.802	20	30		CFEDRM
CC(C)Cn1cc(C(=O)[N-]S(C)(=O)=O)c2ccccc21	ZINC000048487046	618071956	/nfs/dbraw/zinc/07/19/56/618071956.db2.gz	FRWQFMYJTZENOH-UHFFFAOYSA-N	-1	0	294.376	2.562	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CCC)c1nnn[n-]1	ZINC000176748713	618108643	/nfs/dbraw/zinc/10/86/43/618108643.db2.gz	ZQIBWIJJGAXDIC-NSHDSACASA-N	-1	0	267.377	2.518	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3ccc(CC(=O)[O-])cc3)C2)CO1	ZINC000901262054	620777800	/nfs/dbraw/zinc/77/78/00/620777800.db2.gz	SXMURBSABZFHSN-CHPOKUKFSA-N	-1	0	288.347	2.671	20	30		CFEDRM
CC(=NNC1C[C@H](C)O[C@@H](C)C1)c1csc(C(=O)[O-])c1	ZINC000901301689	620779620	/nfs/dbraw/zinc/77/96/20/620779620.db2.gz	GGKNJFKZVJNEHJ-IUCAKERBSA-N	-1	0	296.392	2.716	20	30		CFEDRM
O=C(/C=C\c1cccc2c1OCO2)c1ccc(O)cc1[O-]	ZINC000255573037	618170017	/nfs/dbraw/zinc/17/00/17/618170017.db2.gz	FMFKSHKRYFFVQW-DAXSKMNVSA-N	-1	0	284.267	2.723	20	30		CFEDRM
Cc1ccc(C=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C(=O)[O-]	ZINC000901298197	620785124	/nfs/dbraw/zinc/78/51/24/620785124.db2.gz	BOQRLIUVHQDEKR-DABQJJPHSA-N	-1	0	290.363	2.573	20	30		CFEDRM
C[C@@H]1C[C@@H](NN=Cc2ccc(F)c(F)c2[O-])C[C@H](C)O1	ZINC000901298385	620785413	/nfs/dbraw/zinc/78/54/13/620785413.db2.gz	DPTOOQHQUYDSJY-DOFRTFSJSA-N	-1	0	284.306	2.550	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)Cc2ccccc2F)c1	ZINC000176814117	618204874	/nfs/dbraw/zinc/20/48/74/618204874.db2.gz	RDCRTHGBHYLBFP-UHFFFAOYSA-N	-1	0	270.263	2.584	20	30		CFEDRM
COc1cc(C(=O)Nc2cc(C#N)ccc2[O-])ccc1C	ZINC000176828530	618207678	/nfs/dbraw/zinc/20/76/78/618207678.db2.gz	CLFHTDLFVAILPA-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000749037112	618249991	/nfs/dbraw/zinc/24/99/91/618249991.db2.gz	KCPSUPLSDPYWGQ-LBPRGKRZSA-N	-1	0	281.377	2.550	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000749037107	618250110	/nfs/dbraw/zinc/25/01/10/618250110.db2.gz	KCPSUPLSDPYWGQ-GFCCVEGCSA-N	-1	0	281.377	2.550	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COC1CC1	ZINC000892424464	618253931	/nfs/dbraw/zinc/25/39/31/618253931.db2.gz	OGSYBESKTHVHNT-CYBMUJFWSA-N	-1	0	296.326	2.547	20	30		CFEDRM
CCOCCC/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000255710657	618266667	/nfs/dbraw/zinc/26/66/67/618266667.db2.gz	DKPQPKPWXYEULL-ZSOIEALJSA-N	-1	0	286.715	2.799	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1	ZINC000179414977	618273387	/nfs/dbraw/zinc/27/33/87/618273387.db2.gz	QYRYDWROFLBYOV-NEPJUHHUSA-N	-1	0	287.363	2.528	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2cccs2)c1	ZINC000179736162	618343130	/nfs/dbraw/zinc/34/31/30/618343130.db2.gz	LWCZNVVUOLVKID-GQCTYLIASA-N	-1	0	270.313	2.977	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCC1CCCCC1	ZINC000092462994	618344038	/nfs/dbraw/zinc/34/40/38/618344038.db2.gz	LXINRWVKGFVWNE-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)cc(Cl)c1	ZINC000092462352	618344319	/nfs/dbraw/zinc/34/43/19/618344319.db2.gz	RYSQKWQAXDLAHX-UHFFFAOYSA-N	-1	0	288.130	2.706	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)/C=C/c2ccccc2C#N)c1	ZINC000179732408	618345221	/nfs/dbraw/zinc/34/52/21/618345221.db2.gz	NJVARIAVRUATFC-SOFGYWHQSA-N	-1	0	289.294	2.787	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNC1CCC(F)(F)CC1	ZINC000901344521	620797504	/nfs/dbraw/zinc/79/75/04/620797504.db2.gz	FQUNKUPMLJUZEH-UHFFFAOYSA-N	-1	0	282.290	2.886	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000856029778	618422796	/nfs/dbraw/zinc/42/27/96/618422796.db2.gz	CPVWOOFNQCLVFH-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814888323	618492644	/nfs/dbraw/zinc/49/26/44/618492644.db2.gz	VSPHYUNUHOBCAJ-SMDDNHRTSA-N	-1	0	260.337	2.653	20	30		CFEDRM
CCCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000901418057	620812459	/nfs/dbraw/zinc/81/24/59/620812459.db2.gz	XZDRTVVNHUZMRM-OAGJVSPASA-N	-1	0	298.338	2.867	20	30		CFEDRM
C#Cc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000901451344	620817164	/nfs/dbraw/zinc/81/71/64/620817164.db2.gz	SFHVREFHAXLHSE-GLQYFDAESA-N	-1	0	257.333	2.969	20	30		CFEDRM
C=C1CCC(C(=O)[N-]S(=O)(=O)CC2CCCCC2)CC1	ZINC000892644624	618669784	/nfs/dbraw/zinc/66/97/84/618669784.db2.gz	VPGOCYRMTDORDC-UHFFFAOYSA-N	-1	0	299.436	2.759	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN1CCCC[C@H]1C	ZINC000853382078	618823729	/nfs/dbraw/zinc/82/37/29/618823729.db2.gz	RZZWGQRIXAGABX-GFCCVEGCSA-N	-1	0	252.358	2.882	20	30		CFEDRM
N#CC1(NC(=O)c2cc(F)cc(F)c2[O-])CCCCC1	ZINC000931297066	618935164	/nfs/dbraw/zinc/93/51/64/618935164.db2.gz	RVCMKGWBCHKNNU-UHFFFAOYSA-N	-1	0	280.274	2.627	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000909328324	618935210	/nfs/dbraw/zinc/93/52/10/618935210.db2.gz	IYFHWFSCQDQNPL-AWEZNQCLSA-N	-1	0	291.347	2.539	20	30		CFEDRM
CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000067000998	619147083	/nfs/dbraw/zinc/14/70/83/619147083.db2.gz	QSYUDTHUCBDZSJ-JTQLQIEISA-N	-1	0	287.406	2.639	20	30		CFEDRM
CC(N=Nc1cnccn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814797900	619259519	/nfs/dbraw/zinc/25/95/19/619259519.db2.gz	XCHZWWHTJYBOPF-SNVBAGLBSA-N	-1	0	264.329	2.546	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(C)cc1	ZINC000048518534	619348439	/nfs/dbraw/zinc/34/84/39/619348439.db2.gz	SGIWVFWHYRIVAN-LBPRGKRZSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCCOc1ccccc1	ZINC000048518521	619348576	/nfs/dbraw/zinc/34/85/76/619348576.db2.gz	NXTWQWRKLPJFQB-UHFFFAOYSA-N	-1	0	299.392	2.932	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)C1CC1	ZINC000048519545	619349926	/nfs/dbraw/zinc/34/99/26/619349926.db2.gz	VZRQLSYOTNNRFF-YFHOEESVSA-N	-1	0	290.344	2.560	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519510	619349956	/nfs/dbraw/zinc/34/99/56/619349956.db2.gz	QOFSFRLTWPQYJC-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(SC)c(F)c1)C(=O)[O-]	ZINC000793055751	619505420	/nfs/dbraw/zinc/50/54/20/619505420.db2.gz	BXPNKSMMPIFCNK-LLVKDONJSA-N	-1	0	284.356	2.724	20	30		CFEDRM
CC[C@H](NN=C1CC(c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000793056754	619505850	/nfs/dbraw/zinc/50/58/50/619505850.db2.gz	KKJMWBUBFNKRHH-HQVZTVAUSA-N	-1	0	264.300	2.512	20	30		CFEDRM
CC[C@H](NN=Cc1cccc2ccccc12)C(=O)[O-]	ZINC000793070902	619506728	/nfs/dbraw/zinc/50/67/28/619506728.db2.gz	AQKBAYYHPOPVDB-AWEZNQCLSA-N	-1	0	256.305	2.627	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccs1)C1CC1	ZINC000049135019	619535073	/nfs/dbraw/zinc/53/50/73/619535073.db2.gz	ZDGQOYFVJCWJBJ-QMMMGPOBSA-N	-1	0	273.379	2.830	20	30		CFEDRM
CCC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])OC	ZINC000840708461	619878405	/nfs/dbraw/zinc/87/84/05/619878405.db2.gz	XIMRFNFSZLLLNV-ZBQKXELDSA-N	-1	0	266.297	2.534	20	30		CFEDRM
CC1(C)C[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000840708657	619881805	/nfs/dbraw/zinc/88/18/05/619881805.db2.gz	CRHFPKLNVVVVCM-YAFRSCOQSA-N	-1	0	292.335	2.925	20	30		CFEDRM
CC(C)(CC#N)C/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840711492	619929558	/nfs/dbraw/zinc/92/95/58/619929558.db2.gz	RCDIBBVKEJJIQA-NVNXTCNLSA-N	-1	0	261.281	2.659	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-]	ZINC000909655957	620036605	/nfs/dbraw/zinc/03/66/05/620036605.db2.gz	NZUZNMNLMFSKHI-GHMZBOCLSA-N	-1	0	293.388	2.804	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(Cl)c(C)c1)C(=O)[O-]	ZINC000262879457	620083216	/nfs/dbraw/zinc/08/32/16/620083216.db2.gz	KKQUXRSSUYPXLW-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
Cc1c(C#N)c(N2CC[C@@](C)(C(=O)[O-])C2)nc2ccccc12	ZINC000263428257	620142885	/nfs/dbraw/zinc/14/28/85/620142885.db2.gz	RXCROJLEARKETP-QGZVFWFLSA-N	-1	0	295.342	2.716	20	30		CFEDRM
Cc1ccc(C2CC(N=Nc3nnc(C)c(=O)[n-]3)C2)cc1	ZINC000729816138	620256210	/nfs/dbraw/zinc/25/62/10/620256210.db2.gz	DNMWUQVSFAPXDJ-UHFFFAOYSA-N	-1	0	283.335	2.540	20	30		CFEDRM
Cc1sccc1CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000787154817	620379925	/nfs/dbraw/zinc/37/99/25/620379925.db2.gz	LIMIJUKZBHHTKD-UHFFFAOYSA-N	-1	0	272.329	2.815	20	30		CFEDRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042242958	620581009	/nfs/dbraw/zinc/58/10/09/620581009.db2.gz	KSTFXNISUKKAJB-UHFFFAOYSA-N	-1	0	295.385	2.944	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899773928	620598955	/nfs/dbraw/zinc/59/89/55/620598955.db2.gz	AKOXNQINXBXUSW-LRDDRELGSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899785289	620599488	/nfs/dbraw/zinc/59/94/88/620599488.db2.gz	FOQARPLZMFTHGS-XREXNNHRSA-N	-1	0	291.391	2.618	20	30		CFEDRM
C=C(C)CCNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899790669	620600091	/nfs/dbraw/zinc/60/00/91/620600091.db2.gz	ZYAYSJLNKDRRNG-AWEZNQCLSA-N	-1	0	275.348	2.636	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000042275585	620600138	/nfs/dbraw/zinc/60/01/38/620600138.db2.gz	KHZGBGPWCMDGES-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
C=CCN(C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)C1CC1	ZINC000899817697	620604216	/nfs/dbraw/zinc/60/42/16/620604216.db2.gz	BCSPPUVEXYSZFL-HNNXBMFYSA-N	-1	0	287.359	2.730	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000899827236	620604840	/nfs/dbraw/zinc/60/48/40/620604840.db2.gz	IVXZKINNXBWLED-OLZOCXBDSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@H](CC(=O)[O-])CC(C)C)CC1	ZINC000899834857	620604773	/nfs/dbraw/zinc/60/47/73/620604773.db2.gz	BIMSBRRHWCWIAL-CQSZACIVSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)c(Cl)c1	ZINC000899841381	620605336	/nfs/dbraw/zinc/60/53/36/620605336.db2.gz	AEYBAAMRAYZOOW-UHFFFAOYSA-N	-1	0	291.734	2.905	20	30		CFEDRM
C=CC(C)(C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000899854322	620606718	/nfs/dbraw/zinc/60/67/18/620606718.db2.gz	JOQQIDVFZAOXCA-UHFFFAOYSA-N	-1	0	261.321	2.696	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000901501242	620837521	/nfs/dbraw/zinc/83/75/21/620837521.db2.gz	DXSDOISOGJRABR-AVGNSLFASA-N	-1	0	279.380	2.833	20	30		CFEDRM
O=C([O-])c1coc2c1C(=O)/C(=C/c1cn(C3CC3)cn1)CC2	ZINC000901516196	620853757	/nfs/dbraw/zinc/85/37/57/620853757.db2.gz	RQBBTKQHNBHXKD-WEVVVXLNSA-N	-1	0	298.298	2.722	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1c([O-])cccc1F	ZINC000901561425	620858014	/nfs/dbraw/zinc/85/80/14/620858014.db2.gz	RRARANGSQBQJIN-FPLPWBNLSA-N	-1	0	287.294	2.744	20	30		CFEDRM
C#Cc1ccc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1	ZINC000901785936	620915158	/nfs/dbraw/zinc/91/51/58/620915158.db2.gz	IFFWGVTZYNIGTG-CQSZACIVSA-N	-1	0	297.276	2.507	20	30		CFEDRM
C=CCC1(NC(=O)c2coc(/C=C/C(=O)[O-])c2)CCCC1	ZINC000902072618	620968243	/nfs/dbraw/zinc/96/82/43/620968243.db2.gz	RHBTYWUUGFEDSZ-AATRIKPKSA-N	-1	0	289.331	2.996	20	30		CFEDRM
C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C#N)c1	ZINC000902729364	621160063	/nfs/dbraw/zinc/16/00/63/621160063.db2.gz	IIBWJUDTWZVQNE-SJCJKPOMSA-N	-1	0	298.342	2.547	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-]	ZINC000905015771	621681662	/nfs/dbraw/zinc/68/16/62/621681662.db2.gz	NYOCHNJEOXKQDX-LBPRGKRZSA-N	-1	0	280.299	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-]	ZINC000905015060	621681748	/nfs/dbraw/zinc/68/17/48/621681748.db2.gz	CBNJMFCYDMTLOH-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
Cc1nc(C)c(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)o1	ZINC000905078838	621690307	/nfs/dbraw/zinc/69/03/07/621690307.db2.gz	XEDSBJMIQYRPSY-WEVVVXLNSA-N	-1	0	287.271	2.795	20	30		CFEDRM
CCO[C@H]1CCCC(N=Nc2ccc(C(=O)[O-])cn2)C1	ZINC000905456510	621777105	/nfs/dbraw/zinc/77/71/05/621777105.db2.gz	IDYDCJAUIFEMFV-LBPRGKRZSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CC(=NN[C@@H]1CCSC1)c1ccc(O)cc1Cl	ZINC000905470831	621781248	/nfs/dbraw/zinc/78/12/48/621781248.db2.gz	GCHPDJUDMOSFMC-SECBINFHSA-N	-1	0	270.785	2.865	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000906503272	621998889	/nfs/dbraw/zinc/99/88/89/621998889.db2.gz	WCEBSINSCBEDJF-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CC1(CC(=O)NCCCCC(=O)[O-])CCCCC1	ZINC000907586027	622140006	/nfs/dbraw/zinc/14/00/06/622140006.db2.gz	JPASCADNYHGBSU-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000907621388	622142804	/nfs/dbraw/zinc/14/28/04/622142804.db2.gz	AZMXIKWERUWKEM-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1	ZINC000907638653	622145367	/nfs/dbraw/zinc/14/53/67/622145367.db2.gz	BDEJFELPTNJHIN-YJBOKZPZSA-N	-1	0	299.370	2.670	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12	ZINC000907925158	622174048	/nfs/dbraw/zinc/17/40/48/622174048.db2.gz	MBDRAUJOICYCNP-RFQIPJPRSA-N	-1	0	281.396	2.962	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1cccc(C(=O)[O-])c1	ZINC000908221072	622203045	/nfs/dbraw/zinc/20/30/45/622203045.db2.gz	NQPSJHVGWFHBNF-UHFFFAOYSA-N	-1	0	261.321	2.813	20	30		CFEDRM
C=C1CC(C)(C(=O)NCCCCC2(C(=O)[O-])CCC2)C1	ZINC000908335541	622216642	/nfs/dbraw/zinc/21/66/42/622216642.db2.gz	DZKPSBAZHJRUMZ-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908602241	622249028	/nfs/dbraw/zinc/24/90/28/622249028.db2.gz	KLTOOQIVPNPYOS-INIZCTEOSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCc2cc(C(=O)[O-])ccc21	ZINC000908646156	622253750	/nfs/dbraw/zinc/25/37/50/622253750.db2.gz	IXRIWUMXLBDHOG-MRXNPFEDSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000908671689	622258550	/nfs/dbraw/zinc/25/85/50/622258550.db2.gz	DFWTUWLIJOYDNU-OAHLLOKOSA-N	-1	0	277.320	2.552	20	30		CFEDRM
C=C1CCC(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1	ZINC000908896200	622285259	/nfs/dbraw/zinc/28/52/59/622285259.db2.gz	RRXRDPHYVFVVII-INIZCTEOSA-N	-1	0	299.370	2.771	20	30		CFEDRM
C#CCCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1	ZINC000908939003	622287149	/nfs/dbraw/zinc/28/71/49/622287149.db2.gz	UAZCTWMXHXYNKI-CQSZACIVSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000909135051	622320424	/nfs/dbraw/zinc/32/04/24/622320424.db2.gz	YSNNROPVXRLRRW-UHFFFAOYSA-N	-1	0	275.348	2.946	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909293885	622335967	/nfs/dbraw/zinc/33/59/67/622335967.db2.gz	KTWVXBORNXGULM-CJNGLKHVSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000909296963	622336588	/nfs/dbraw/zinc/33/65/88/622336588.db2.gz	RLHOLXMAVQDNKT-OAHLLOKOSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=C1CCC(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)CC1	ZINC000909684213	622340538	/nfs/dbraw/zinc/34/05/38/622340538.db2.gz	FEMUKUTVKKBGLT-OAHLLOKOSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909704749	622343217	/nfs/dbraw/zinc/34/32/17/622343217.db2.gz	VKJPARQOYBJHTR-CYBMUJFWSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000909725057	622346438	/nfs/dbraw/zinc/34/64/38/622346438.db2.gz	OQFULXXKQKXDMP-JQRITLKVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909731200	622347312	/nfs/dbraw/zinc/34/73/12/622347312.db2.gz	JVHKYDYQPLGBEX-UHFFFAOYSA-N	-1	0	263.293	2.544	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000909773795	622351321	/nfs/dbraw/zinc/35/13/21/622351321.db2.gz	KWXQMHFIPRPEKB-NEPJUHHUSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CCC(C)(C)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000909785847	622352748	/nfs/dbraw/zinc/35/27/48/622352748.db2.gz	FGRDTSXACNGTBK-UHFFFAOYSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909847967	622356285	/nfs/dbraw/zinc/35/62/85/622356285.db2.gz	VTABIGFOGSNZPI-UHFFFAOYSA-N	-1	0	277.295	2.585	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909848083	622356402	/nfs/dbraw/zinc/35/64/02/622356402.db2.gz	XVXXOQKULKYTOK-UHFFFAOYSA-N	-1	0	265.284	2.604	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(=O)[O-])C(C)C	ZINC000909933697	622373890	/nfs/dbraw/zinc/37/38/90/622373890.db2.gz	ZOZITWYZYTUDRK-UPJWGTAASA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000909951790	622375766	/nfs/dbraw/zinc/37/57/66/622375766.db2.gz	BKSHITHTGPNTOG-NSHDSACASA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC000910055063	622392813	/nfs/dbraw/zinc/39/28/13/622392813.db2.gz	WYJIGVQKQAJWTN-KGLIPLIRSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@H](NC(=O)C/C=C\c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910045755	622396798	/nfs/dbraw/zinc/39/67/98/622396798.db2.gz	GNFIEXJNFXBUQV-WRLNGNIRSA-N	-1	0	299.370	2.806	20	30		CFEDRM
C#CCCCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000910104804	622405696	/nfs/dbraw/zinc/40/56/96/622405696.db2.gz	ZUPWPJVKWYPNII-LSDHHAIUSA-N	-1	0	285.343	2.607	20	30		CFEDRM
C#Cc1ccc(C(=O)N2CCC[C@]2(CCC)C(=O)[O-])cc1	ZINC000910119383	622406955	/nfs/dbraw/zinc/40/69/55/622406955.db2.gz	ZOELCSQNJNQTGE-QGZVFWFLSA-N	-1	0	285.343	2.527	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)CC1	ZINC000910157163	622407683	/nfs/dbraw/zinc/40/76/83/622407683.db2.gz	OUUCNZSCPDAVGF-SECBINFHSA-N	-1	0	294.376	2.765	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000910161532	622407717	/nfs/dbraw/zinc/40/77/17/622407717.db2.gz	VISJAKXNFMAMCB-QMMMGPOBSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910233459	622414744	/nfs/dbraw/zinc/41/47/44/622414744.db2.gz	IYMUCSUJBUHRAI-GFCCVEGCSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C=C(C)CN(Cc1ccccc1)C(=O)[C@H](C)CC(=O)[O-]	ZINC000910242014	622417377	/nfs/dbraw/zinc/41/73/77/622417377.db2.gz	OQYSFFVWACMPFC-CYBMUJFWSA-N	-1	0	275.348	2.702	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-]	ZINC000910269738	622421919	/nfs/dbraw/zinc/42/19/19/622421919.db2.gz	DNAUKDWEJKLMIX-GHMZBOCLSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccc(O)cc2C(=O)[O-])CC1	ZINC000910371762	622436659	/nfs/dbraw/zinc/43/66/59/622436659.db2.gz	HPBYRRKSLNQRJK-UHFFFAOYSA-N	-1	0	275.304	2.775	20	30		CFEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl	ZINC000910402310	622438945	/nfs/dbraw/zinc/43/89/45/622438945.db2.gz	RKVSEKPPCGVHDS-GFCCVEGCSA-N	-1	0	281.739	2.938	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(OCC)cc1C(=O)[O-]	ZINC000910388845	622440253	/nfs/dbraw/zinc/44/02/53/622440253.db2.gz	SZCOWFUSFSOUHD-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
N#Cc1cccc(N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1	ZINC000910458648	622446780	/nfs/dbraw/zinc/44/67/80/622446780.db2.gz	YNMFTTPKVZSSIR-ZFWWWQNUSA-N	-1	0	299.374	2.813	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-]	ZINC000910512167	622451848	/nfs/dbraw/zinc/45/18/48/622451848.db2.gz	WELHROWQKCCTHC-ZDUSSCGKSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC	ZINC000910621881	622461674	/nfs/dbraw/zinc/46/16/74/622461674.db2.gz	NOWYPNMYKKEETR-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910779016	622477055	/nfs/dbraw/zinc/47/70/55/622477055.db2.gz	BHSOESPERXAZMQ-UHFFFAOYSA-N	-1	0	268.338	2.691	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)c1ccccc1	ZINC000910848569	622481943	/nfs/dbraw/zinc/48/19/43/622481943.db2.gz	VEMDKWVNRLUJNN-XUWVNRHRSA-N	-1	0	299.370	2.525	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910912912	622485601	/nfs/dbraw/zinc/48/56/01/622485601.db2.gz	QGDSCFKGGMBLOB-GHMZBOCLSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccccc1SC)C(=O)[O-]	ZINC000910914886	622486006	/nfs/dbraw/zinc/48/60/06/622486006.db2.gz	PAHYNAMFYLREEC-LBPRGKRZSA-N	-1	0	293.388	2.948	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)C1CCCC1)C(=O)[O-]	ZINC000910917314	622486689	/nfs/dbraw/zinc/48/66/89/622486689.db2.gz	PONQTDGPVLUUDI-YPMHNXCESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000910915146	622486750	/nfs/dbraw/zinc/48/67/50/622486750.db2.gz	VMDBMZLIAIWLRX-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H](C)C1CCCC1)C(=O)[O-]	ZINC000910917311	622486800	/nfs/dbraw/zinc/48/68/00/622486800.db2.gz	PONQTDGPVLUUDI-AAEUAGOBSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(O)ccc1Cl)C(=O)[O-]	ZINC000910916112	622486821	/nfs/dbraw/zinc/48/68/21/622486821.db2.gz	TZOZMSKPNULOJA-LBPRGKRZSA-N	-1	0	297.738	2.585	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C1/CC[C@H](C)C1)C(=O)[O-]	ZINC000910916709	622486848	/nfs/dbraw/zinc/48/68/48/622486848.db2.gz	ILXODHYMOIIXQB-UYVMEVJISA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(C)c(OC)c1)C(=O)[O-]	ZINC000910917939	622487274	/nfs/dbraw/zinc/48/72/74/622487274.db2.gz	GGDXEMXGJWELDN-ZDUSSCGKSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC000910921569	622487723	/nfs/dbraw/zinc/48/77/23/622487723.db2.gz	CFWMRNWHOAYALY-MRVPVSSYSA-N	-1	0	287.262	2.757	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](CC)CCC)C(=O)[O-]	ZINC000910922592	622487806	/nfs/dbraw/zinc/48/78/06/622487806.db2.gz	KVZTYYHQWKDYDH-NWDGAFQWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)[C@H]1CCCCO1)C(=O)[O-]	ZINC000910921647	622487839	/nfs/dbraw/zinc/48/78/39/622487839.db2.gz	DNZJCRFOZAKVIG-QWHCGFSZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1CCC(=C)CC1)C(=O)[O-]	ZINC000910923690	622488146	/nfs/dbraw/zinc/48/81/46/622488146.db2.gz	VQYKQEJJXFHPOB-ZDUSSCGKSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C1CCC(CNC(=O)C(C)(C)CCC(=O)[O-])CC1	ZINC000910990124	622496028	/nfs/dbraw/zinc/49/60/28/622496028.db2.gz	HUARLKMYRGKQGF-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911073303	622503993	/nfs/dbraw/zinc/50/39/93/622503993.db2.gz	QGXOPLHOXHGOFD-MRXNPFEDSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C#C[C@](C)(CC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000911385509	622518713	/nfs/dbraw/zinc/51/87/13/622518713.db2.gz	VQACHNKEQPZOHN-CQSZACIVSA-N	-1	0	279.723	2.570	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000911684133	622534853	/nfs/dbraw/zinc/53/48/53/622534853.db2.gz	OEOUCLJDZXUXPP-UHFFFAOYSA-N	-1	0	277.295	2.964	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1sc(C2CCC2)nc1C	ZINC000911902825	622578957	/nfs/dbraw/zinc/57/89/57/622578957.db2.gz	HOUPWQXKLCCPAF-SECBINFHSA-N	-1	0	280.393	2.884	20	30		CFEDRM
Cc1cccc2c(C([O-])=C(C#N)C(=O)N3CCCC3)coc21	ZINC000819944591	622579843	/nfs/dbraw/zinc/57/98/43/622579843.db2.gz	SNRUXBHDRDHXOA-ZDUSSCGKSA-N	-1	0	296.326	2.686	20	30		CFEDRM
C#CCCCCC(=O)n1[n-]c(=O)c2ccc(OC)cc21	ZINC000819961139	622586245	/nfs/dbraw/zinc/58/62/45/622586245.db2.gz	CNGQZWYTRDKPFP-UHFFFAOYSA-N	-1	0	272.304	2.584	20	30		CFEDRM
C[Si](C)(C)C#CCCNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000912329280	622680660	/nfs/dbraw/zinc/68/06/60/622680660.db2.gz	GAGZGCNHNNYYSZ-UHFFFAOYSA-N	-1	0	297.377	2.671	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cn1	ZINC000156682518	622954422	/nfs/dbraw/zinc/95/44/22/622954422.db2.gz	NQMHKFNSICGGKU-DUXPYHPUSA-N	-1	0	262.696	2.675	20	30		CFEDRM
C=CC[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1C(F)(F)F	ZINC000167664616	623062313	/nfs/dbraw/zinc/06/23/13/623062313.db2.gz	AJPSJGRASGWWRU-UHFFFAOYSA-N	-1	0	291.244	2.917	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708865	623093271	/nfs/dbraw/zinc/09/32/71/623093271.db2.gz	RCCMMVRFFFWYLQ-OIBJUYFYSA-N	-1	0	273.741	2.641	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c1	ZINC000046929250	623104975	/nfs/dbraw/zinc/10/49/75/623104975.db2.gz	KECJOIFJWMEIFJ-QWRGUYRKSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CC[C@H](CNc1ccc(Cl)cc1C#N)C(=O)[O-]	ZINC000087509589	623170975	/nfs/dbraw/zinc/17/09/75/623170975.db2.gz	YQYAPIGEAQVPOU-MRVPVSSYSA-N	-1	0	252.701	2.734	20	30		CFEDRM
C#CCCCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000229616571	623215853	/nfs/dbraw/zinc/21/58/53/623215853.db2.gz	MPCOTIRTJAPBBU-UHFFFAOYSA-N	-1	0	273.332	2.535	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-]	ZINC000823369054	623299672	/nfs/dbraw/zinc/29/96/72/623299672.db2.gz	QTSLOXDYDFJFLU-JUDLJHIGSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000062933452	623307384	/nfs/dbraw/zinc/30/73/84/623307384.db2.gz	NLBCXFSOMDSACP-CYBMUJFWSA-N	-1	0	298.264	2.878	20	30		CFEDRM
CCn1nnc(C)c1/C=C\C(=O)c1ccc(C)cc1[O-]	ZINC000834430638	625675308	/nfs/dbraw/zinc/67/53/08/625675308.db2.gz	UPKHKIXURMVIAR-FPLPWBNLSA-N	-1	0	271.320	2.517	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccn1C(C)C	ZINC000153199465	623888680	/nfs/dbraw/zinc/88/86/80/623888680.db2.gz	LIYWUTUPNSOHTR-CYBMUJFWSA-N	-1	0	289.379	2.698	20	30		CFEDRM
COc1ccc(C=NNc2cccc([N+](=O)[O-])c2)c(O)c1	ZINC000914693259	623920185	/nfs/dbraw/zinc/92/01/85/623920185.db2.gz	RMCYFIZFIVCKHN-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)cc1C	ZINC000193369026	623984127	/nfs/dbraw/zinc/98/41/27/623984127.db2.gz	ZAGMJICLAGUVCR-HNNXBMFYSA-N	-1	0	286.375	2.932	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000827650836	624051198	/nfs/dbraw/zinc/05/11/98/624051198.db2.gz	VYQIKOQCNURHPF-ZDUSSCGKSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CC1(/C=C/C(=O)Nc2cc(C#N)ccc2[O-])CCOCC1	ZINC000827830329	624105083	/nfs/dbraw/zinc/10/50/83/624105083.db2.gz	XCNFJJUPFOXKPL-SNAWJCMRSA-N	-1	0	286.331	2.575	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccccc1Cl	ZINC000828158421	624189507	/nfs/dbraw/zinc/18/95/07/624189507.db2.gz	UTKQABHMUZULSZ-NSHDSACASA-N	-1	0	295.766	2.618	20	30		CFEDRM
Cn1c2ccccc2nc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000915968539	624195931	/nfs/dbraw/zinc/19/59/31/624195931.db2.gz	YTHATARLRIWPLK-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
Cc1nnc(N=NC2C[C@@H](C)CC[C@@H]2C(C)C)[n-]c1=O	ZINC000916282431	624236185	/nfs/dbraw/zinc/23/61/85/624236185.db2.gz	FURSZXIWRKVFDB-GXSJLCMTSA-N	-1	0	277.372	2.746	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ncnc3sccc32)cc1	ZINC000916367928	624242961	/nfs/dbraw/zinc/24/29/61/624242961.db2.gz	CRPUNMQWVGCXBE-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1cccc([N+](=O)[O-])c1	ZINC000916581671	624258924	/nfs/dbraw/zinc/25/89/24/624258924.db2.gz	ROXQDIPBGXJRSZ-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)sc1C	ZINC000916877059	624290249	/nfs/dbraw/zinc/29/02/49/624290249.db2.gz	NRZFCISVLNKESO-CYBMUJFWSA-N	-1	0	292.404	2.994	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(C)cc1	ZINC000917554737	624359679	/nfs/dbraw/zinc/35/96/79/624359679.db2.gz	JWTLVMDGGICCDQ-UHFFFAOYSA-N	-1	0	280.335	2.888	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1	ZINC000920025214	624661200	/nfs/dbraw/zinc/66/12/00/624661200.db2.gz	ROSSZSZVOQPMNI-UHFFFAOYSA-N	-1	0	272.304	2.797	20	30		CFEDRM
C[C@H](CC#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000830298325	624703352	/nfs/dbraw/zinc/70/33/52/624703352.db2.gz	WRRVCUJRCMQOGU-SSDOTTSWSA-N	-1	0	261.306	2.605	20	30		CFEDRM
CC(=O)c1cc(F)c([O-])c(NC(=O)CCCCC#N)c1	ZINC000830332683	624712656	/nfs/dbraw/zinc/71/26/56/624712656.db2.gz	YLGXHUVPVSBUIU-UHFFFAOYSA-N	-1	0	278.283	2.756	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1oc(C)cc1C	ZINC000175096587	624926300	/nfs/dbraw/zinc/92/63/00/624926300.db2.gz	DIWSKZLDVJDTTL-LBPRGKRZSA-N	-1	0	276.336	2.525	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(N(C)C)c1	ZINC000089983789	624935143	/nfs/dbraw/zinc/93/51/43/624935143.db2.gz	GNUJBJOSUGMAHF-POHAHGRESA-N	-1	0	296.392	2.672	20	30		CFEDRM
CC(F)(F)C(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000831095953	624959907	/nfs/dbraw/zinc/95/99/07/624959907.db2.gz	PJORXJQMQKCAOZ-SECBINFHSA-N	-1	0	292.207	2.933	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000073087237	625771388	/nfs/dbraw/zinc/77/13/88/625771388.db2.gz	HVTMGOPXKIAGGN-SNVBAGLBSA-N	-1	0	287.356	2.904	20	30		CFEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000073087238	625772124	/nfs/dbraw/zinc/77/21/24/625772124.db2.gz	HVTMGOPXKIAGGN-JTQLQIEISA-N	-1	0	287.356	2.904	20	30		CFEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000073087638	625773489	/nfs/dbraw/zinc/77/34/89/625773489.db2.gz	MQYHPZZOEXSZQO-LBPRGKRZSA-N	-1	0	298.408	2.612	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@@H]1C	ZINC000073289752	625821216	/nfs/dbraw/zinc/82/12/16/625821216.db2.gz	KFHMDYFRLXYTGV-NWDGAFQWSA-N	-1	0	291.413	2.524	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccncn1	ZINC000835001039	625949845	/nfs/dbraw/zinc/94/98/45/625949845.db2.gz	JCLHURCXYSGDSQ-UHFFFAOYSA-N	-1	0	264.329	2.690	20	30		CFEDRM
O=C([O-])c1ccc(NNC=C2CC2(F)F)c(F)c1	ZINC000835008074	625954903	/nfs/dbraw/zinc/95/49/03/625954903.db2.gz	DZQBECNFPJNBFW-SSDOTTSWSA-N	-1	0	258.199	2.577	20	30		CFEDRM
CO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C12CCC2	ZINC000835009410	625955911	/nfs/dbraw/zinc/95/59/11/625955911.db2.gz	VJUPGGHAHVDHFC-ZDUSSCGKSA-N	-1	0	292.310	2.881	20	30		CFEDRM
COCC(C)(C)CN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009555	625955951	/nfs/dbraw/zinc/95/59/51/625955951.db2.gz	VIIRWBGMYVLBJN-UHFFFAOYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC23CCOCC3)cc1F	ZINC000835009073	625956086	/nfs/dbraw/zinc/95/60/86/625956086.db2.gz	NOGXFHPYPACYFT-UHFFFAOYSA-N	-1	0	292.310	2.882	20	30		CFEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])nc1	ZINC000835009991	625956993	/nfs/dbraw/zinc/95/69/93/625956993.db2.gz	KHYGRNWUVWCVGY-UHFFFAOYSA-N	-1	0	259.309	2.761	20	30		CFEDRM
COC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835010111	625957302	/nfs/dbraw/zinc/95/73/02/625957302.db2.gz	OTLCOKCXAFHQPL-QMMMGPOBSA-N	-1	0	268.288	2.594	20	30		CFEDRM
CSCCCN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011128	625957973	/nfs/dbraw/zinc/95/79/73/625957973.db2.gz	BOMOQKYYKVKWRG-UHFFFAOYSA-N	-1	0	256.302	2.675	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCSCC2)c(F)c1	ZINC000835012277	625958745	/nfs/dbraw/zinc/95/87/45/625958745.db2.gz	OIXGWSJWDSFZEX-UHFFFAOYSA-N	-1	0	268.313	2.819	20	30		CFEDRM
COC[C@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012739	625958828	/nfs/dbraw/zinc/95/88/28/625958828.db2.gz	TWAZGFDTLQBQPO-QMMMGPOBSA-N	-1	0	268.288	2.594	20	30		CFEDRM
CC1(C)OCC[C@@H]1NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000835020073	625965670	/nfs/dbraw/zinc/96/56/70/625965670.db2.gz	DIQIPTZZICQUFP-NSHDSACASA-N	-1	0	296.754	2.529	20	30		CFEDRM
CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)COC)c1ccccc1	ZINC000073839219	626396083	/nfs/dbraw/zinc/39/60/83/626396083.db2.gz	MNSYWGYJIIOADA-WCQYABFASA-N	-1	0	299.392	2.501	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1COC	ZINC000073838397	626396142	/nfs/dbraw/zinc/39/61/42/626396142.db2.gz	LLMPGHKPFUZTFQ-UHFFFAOYSA-N	-1	0	299.392	2.656	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000923056551	626447631	/nfs/dbraw/zinc/44/76/31/626447631.db2.gz	ACMRGMMOPDNKSL-ZDUSSCGKSA-N	-1	0	280.711	2.917	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC2(CC2)C1	ZINC000923065312	626448640	/nfs/dbraw/zinc/44/86/40/626448640.db2.gz	YDCHAKACJRVEHT-UHFFFAOYSA-N	-1	0	288.278	2.546	20	30		CFEDRM
N#C[C@]1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CCCC2	ZINC000923076583	626449297	/nfs/dbraw/zinc/44/92/97/626449297.db2.gz	SGKGTALSKKMYJY-KRWDZBQOSA-N	-1	0	298.342	2.726	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923093534	626450392	/nfs/dbraw/zinc/45/03/92/626450392.db2.gz	MHLIDAHJYJKMGD-UHFFFAOYSA-N	-1	0	283.349	2.676	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923092869	626450399	/nfs/dbraw/zinc/45/03/99/626450399.db2.gz	OQKPOLUUSMFZEF-UHFFFAOYSA-N	-1	0	265.334	2.887	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(=O)[O-]	ZINC000923105384	626451564	/nfs/dbraw/zinc/45/15/64/626451564.db2.gz	SXYLITJPSIKFMQ-USZNOCQGSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C#CCCCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923171524	626454207	/nfs/dbraw/zinc/45/42/07/626454207.db2.gz	AKPNIDXZIKFMHG-OAHLLOKOSA-N	-1	0	293.407	2.967	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)NC1(CCC(=O)[O-])CCCCC1	ZINC000923212386	626456993	/nfs/dbraw/zinc/45/69/93/626456993.db2.gz	WTQIFZLIHVSIRW-ZDUSSCGKSA-N	-1	0	297.395	2.652	20	30		CFEDRM
CC[C@@](C)([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000839290821	626532948	/nfs/dbraw/zinc/53/29/48/626532948.db2.gz	BIJXSEQBNDMVFK-INEUFUBQSA-N	-1	0	269.160	2.734	20	30		CFEDRM
Cn1nnc2cc(/C=C\C(=O)c3ccccc3[O-])ccc21	ZINC000757475214	626553250	/nfs/dbraw/zinc/55/32/50/626553250.db2.gz	QHQXOECGCMDTFB-CLFYSBASSA-N	-1	0	279.299	2.570	20	30		CFEDRM
CC(=NOCC(F)F)c1ccc(C(=O)[O-])c(F)c1	ZINC000758904102	626616589	/nfs/dbraw/zinc/61/65/89/626616589.db2.gz	MOLYTLDBTNVSRK-UHFFFAOYSA-N	-1	0	261.199	2.530	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NOCC(F)F	ZINC000758904188	626616618	/nfs/dbraw/zinc/61/66/18/626616618.db2.gz	NZEDPSGIPWQPDF-UHFFFAOYSA-N	-1	0	253.607	2.800	20	30		CFEDRM
COc1ccc(/C=C\C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000759713086	626686137	/nfs/dbraw/zinc/68/61/37/626686137.db2.gz	HDQOEFMMLRPIOI-UITAMQMPSA-N	-1	0	294.310	2.924	20	30		CFEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)nc1	ZINC000761792804	626859337	/nfs/dbraw/zinc/85/93/37/626859337.db2.gz	GSWVWIZTUFSHJS-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1cccc(Cl)c1	ZINC000762047586	626884252	/nfs/dbraw/zinc/88/42/52/626884252.db2.gz	KFYKPEQVRARKDL-LLVKDONJSA-N	-1	0	295.766	2.618	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CCCC2)n1	ZINC000762068745	626886598	/nfs/dbraw/zinc/88/65/98/626886598.db2.gz	NHICIUHEHGASFA-ZDUSSCGKSA-N	-1	0	299.374	2.586	20	30		CFEDRM
C#Cc1cncc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1	ZINC000805259521	626948170	/nfs/dbraw/zinc/94/81/70/626948170.db2.gz	IRQQPGIOHCRNRF-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cc(F)c(F)cc2F)nc1	ZINC000763371460	626983495	/nfs/dbraw/zinc/98/34/95/626983495.db2.gz	BAYIALTWJAFVJF-UHFFFAOYSA-N	-1	0	295.220	2.643	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@@H]2c2ccccc2)nc1	ZINC000763369213	626983633	/nfs/dbraw/zinc/98/36/33/626983633.db2.gz	SXWNMQRQTJNJHE-UONOGXRCSA-N	-1	0	281.315	2.981	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2C[C@@H]2c2ccccc2)nc1	ZINC000763369215	626983832	/nfs/dbraw/zinc/98/38/32/626983832.db2.gz	SXWNMQRQTJNJHE-ZIAGYGMSSA-N	-1	0	281.315	2.981	20	30		CFEDRM
CSCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000763420297	626988054	/nfs/dbraw/zinc/98/80/54/626988054.db2.gz	QDMCGXUYJRIQAL-UHFFFAOYSA-N	-1	0	267.398	2.705	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C(F)=C2CCCC2)c1	ZINC000764397081	627056981	/nfs/dbraw/zinc/05/69/81/627056981.db2.gz	UVUSVFKGGIWQEE-UHFFFAOYSA-N	-1	0	260.268	3.000	20	30		CFEDRM
COc1cc(C(C)=NNC2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000764690648	627084218	/nfs/dbraw/zinc/08/42/18/627084218.db2.gz	PLKICEGFYSIVDA-UHFFFAOYSA-N	-1	0	293.323	2.565	20	30		CFEDRM
CCOc1nccc(C)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000765480557	627141318	/nfs/dbraw/zinc/14/13/18/627141318.db2.gz	YZBFBWNRBSDNQI-UHFFFAOYSA-N	-1	0	297.314	2.618	20	30		CFEDRM
O=C([O-])c1cccc(/C=C2\Cc3c(cccc3O)C2=O)c1	ZINC000765825343	627159901	/nfs/dbraw/zinc/15/99/01/627159901.db2.gz	ONRNTHNWIFAKEL-XYOKQWHBSA-N	-1	0	280.279	2.913	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)CCC#N	ZINC000766029341	627172646	/nfs/dbraw/zinc/17/26/46/627172646.db2.gz	KOJXBKKKIDLPCQ-JTQLQIEISA-N	-1	0	275.308	2.731	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000767992829	627301493	/nfs/dbraw/zinc/30/14/93/627301493.db2.gz	FEODZCUJBLSZTA-LLVKDONJSA-N	-1	0	299.367	2.541	20	30		CFEDRM
Cc1cc(NN=Cc2cc(Cl)cc(F)c2[O-])ncn1	ZINC000768361993	627337217	/nfs/dbraw/zinc/33/72/17/627337217.db2.gz	LOKVJCSPFSTBDZ-UHFFFAOYSA-N	-1	0	280.690	2.729	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000770572197	627530769	/nfs/dbraw/zinc/53/07/69/627530769.db2.gz	DSOAJZAVCXNRNV-CMDGGOBGSA-N	-1	0	298.342	2.506	20	30		CFEDRM
C[C@H](CC(=O)C(C#N)=C([O-])c1nccn1C)CC(C)(C)C	ZINC000770866552	627552040	/nfs/dbraw/zinc/55/20/40/627552040.db2.gz	SXUJDBMHALMBBR-NEPJUHHUSA-N	-1	0	289.379	2.774	20	30		CFEDRM
N#Cc1ccc2c(c1)NC(=O)/C2=C/c1ccc(C(=O)[O-])cc1	ZINC000773161250	627790987	/nfs/dbraw/zinc/79/09/87/627790987.db2.gz	QOMKMIVSMRJHHL-VGOFMYFVSA-N	-1	0	290.278	2.749	20	30		CFEDRM
C=CCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000773876180	627864717	/nfs/dbraw/zinc/86/47/17/627864717.db2.gz	DTBWQWZPAKZEOI-SECBINFHSA-N	-1	0	252.270	2.825	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1	ZINC000774056817	627882519	/nfs/dbraw/zinc/88/25/19/627882519.db2.gz	ZDPUELYEPOETPB-GFCCVEGCSA-N	-1	0	299.355	2.667	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NOC2CCCC2)c1)C(=O)[O-]	ZINC000774607691	627941539	/nfs/dbraw/zinc/94/15/39/627941539.db2.gz	HEOGGGUNVKNTIJ-LLVKDONJSA-N	-1	0	277.320	2.832	20	30		CFEDRM
C#CCOc1ccccc1NC(=O)c1c([O-])cccc1F	ZINC000775948741	628087181	/nfs/dbraw/zinc/08/71/81/628087181.db2.gz	ZUQYPPIPSCRPMM-UHFFFAOYSA-N	-1	0	285.274	2.796	20	30		CFEDRM
O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccncc2)cc1	ZINC000776188404	628113460	/nfs/dbraw/zinc/11/34/60/628113460.db2.gz	MVXDIOYYKSNYOC-ZZXKWVIFSA-N	-1	0	297.310	2.831	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cscn1	ZINC000776192090	628114427	/nfs/dbraw/zinc/11/44/27/628114427.db2.gz	HXWSODJTNBSQHF-DAFODLJHSA-N	-1	0	276.273	2.653	20	30		CFEDRM
CC(=NNc1ccc(C)cn1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776730834	628172436	/nfs/dbraw/zinc/17/24/36/628172436.db2.gz	ZHLZJANEKIKXRO-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
COc1cc(C)nc(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000776757413	628174953	/nfs/dbraw/zinc/17/49/53/628174953.db2.gz	PKZIHAXKNLQYFZ-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NOC2CCCCC2)cc1[O-]	ZINC000777457916	628227658	/nfs/dbraw/zinc/22/76/58/628227658.db2.gz	BUSHULKCMBOHAT-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
N#Cc1cccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000779359434	628376418	/nfs/dbraw/zinc/37/64/18/628376418.db2.gz	RZSJMYLFMDRBJF-XQRVVYSFSA-N	-1	0	293.278	2.858	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3c(cccc3O)C2=O)ccc1O	ZINC000779358509	628376741	/nfs/dbraw/zinc/37/67/41/628376741.db2.gz	JGQHBXCNABFHNL-POHAHGRESA-N	-1	0	296.278	2.618	20	30		CFEDRM
CC[C@@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000779754354	628400193	/nfs/dbraw/zinc/40/01/93/628400193.db2.gz	HMJLFLPJVHRLBM-BXUZGUMPSA-N	-1	0	276.336	2.988	20	30		CFEDRM
COc1cccc(N=NC(C)c2cccc(C(=O)[O-])c2)n1	ZINC000779817477	628410807	/nfs/dbraw/zinc/41/08/07/628410807.db2.gz	PBUHIZJTQNNGKG-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000780186237	628437541	/nfs/dbraw/zinc/43/75/41/628437541.db2.gz	FPZBNMRZRCMZSX-IHWYPQMZSA-N	-1	0	298.676	2.953	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C/c1cc(C(=O)[O-])cs1	ZINC000782201545	628613671	/nfs/dbraw/zinc/61/36/71/628613671.db2.gz	UMOCNIZPORSUSK-SNAWJCMRSA-N	-1	0	290.344	2.693	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000782287121	628624276	/nfs/dbraw/zinc/62/42/76/628624276.db2.gz	JXVUDZCADYCCPV-ZDUSSCGKSA-N	-1	0	277.324	2.803	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc(O)c(C(=O)[O-])c1	ZINC000782298587	628625790	/nfs/dbraw/zinc/62/57/90/628625790.db2.gz	BKCNWBNWAATBPO-ZDUSSCGKSA-N	-1	0	276.336	2.593	20	30		CFEDRM
Cc1nc(F)ccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000782342909	628630473	/nfs/dbraw/zinc/63/04/73/628630473.db2.gz	SQWQSUQYDYIQCK-KXFIGUGUSA-N	-1	0	273.263	2.836	20	30		CFEDRM
CC(C)(C)CCNN=Cc1cccc(OCCC(=O)[O-])c1	ZINC000782903005	628662534	/nfs/dbraw/zinc/66/25/34/628662534.db2.gz	MSJXDNBHKMWTSS-UHFFFAOYSA-N	-1	0	292.379	2.900	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCc2cccnc2)c(Cl)c1	ZINC000783857286	628750380	/nfs/dbraw/zinc/75/03/80/628750380.db2.gz	ZCZUYBOGYLQMBO-UHFFFAOYSA-N	-1	0	290.706	2.984	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1	ZINC000786551348	628968411	/nfs/dbraw/zinc/96/84/11/628968411.db2.gz	WPVSXNWHDZJIRN-CQSZACIVSA-N	-1	0	296.326	2.535	20	30		CFEDRM
CC(=NNC1CCCC1)c1cc(C(=O)[O-])ccc1C	ZINC000788427032	629065230	/nfs/dbraw/zinc/06/52/30/629065230.db2.gz	DIGDWBORXWFQMQ-UHFFFAOYSA-N	-1	0	260.337	2.949	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NNCC(F)(F)F)c2ccccc21	ZINC000789050211	629120455	/nfs/dbraw/zinc/12/04/55/629120455.db2.gz	ACTMJGZVDHDADA-SNVBAGLBSA-N	-1	0	286.253	2.505	20	30		CFEDRM
CCN(C)c1ccc(C=[NH+][N-]c2ccccc2C(=O)[O-])cn1	ZINC000790148513	629213556	/nfs/dbraw/zinc/21/35/56/629213556.db2.gz	ALIHHBMQPQJMGO-UHFFFAOYSA-N	-1	0	298.346	2.682	20	30		CFEDRM
O=C(/C=C/c1cocn1)c1cc(F)cc(F)c1[O-]	ZINC000790221590	629221017	/nfs/dbraw/zinc/22/10/17/629221017.db2.gz	DCJPZGVTADKEQS-OWOJBTEDSA-N	-1	0	251.188	2.555	20	30		CFEDRM
C=CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccncc1	ZINC000790722939	629258513	/nfs/dbraw/zinc/25/85/13/629258513.db2.gz	CNRJXXQQSJTJLH-CYBMUJFWSA-N	-1	0	284.315	2.540	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)nc1	ZINC000792113440	629398989	/nfs/dbraw/zinc/39/89/89/629398989.db2.gz	ISAKGLPERACVOH-GFCCVEGCSA-N	-1	0	288.310	2.823	20	30		CFEDRM
C[C@@H](C#N)CN(C)Cc1c([O-])ccc(Cl)c1F	ZINC000792167306	629404129	/nfs/dbraw/zinc/40/41/29/629404129.db2.gz	LARKCQZTMOOVID-QMMMGPOBSA-N	-1	0	256.708	2.776	20	30		CFEDRM
N#C[C@@]1(F)CCN(Cc2c([O-])ccc(Cl)c2F)C1	ZINC000792181198	629406390	/nfs/dbraw/zinc/40/63/90/629406390.db2.gz	XVSNWRIIKWTIEE-LBPRGKRZSA-N	-1	0	272.682	2.622	20	30		CFEDRM
C#Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000792628741	629440209	/nfs/dbraw/zinc/44/02/09/629440209.db2.gz	YYPUZGKVZZAXES-UHFFFAOYSA-N	-1	0	264.284	2.812	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(OCC(C)C)cc1)C(=O)[O-]	ZINC000793055920	629480748	/nfs/dbraw/zinc/48/07/48/629480748.db2.gz	PNIVWSGAANALHK-CQSZACIVSA-N	-1	0	278.352	2.508	20	30		CFEDRM
CC[C@H](NN=Cc1cc(C)n(-c2ccccc2)c1C)C(=O)[O-]	ZINC000793056173	629480868	/nfs/dbraw/zinc/48/08/68/629480868.db2.gz	DGTVCCJRTGXXGO-INIZCTEOSA-N	-1	0	299.374	2.881	20	30		CFEDRM
CC[C@H](NN=C(C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000793057055	629480883	/nfs/dbraw/zinc/48/08/83/629480883.db2.gz	ZHCGMYASVXXLFG-NSHDSACASA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC[C@@H](NN=C(C)[C@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC000793054778	629480896	/nfs/dbraw/zinc/48/08/96/629480896.db2.gz	GYXPQASFKSSLFH-IINYFYTJSA-N	-1	0	278.352	2.627	20	30		CFEDRM
CC[C@@H](NN=C(Cc1ccc(F)cc1)C(C)C)C(=O)[O-]	ZINC000793056465	629480915	/nfs/dbraw/zinc/48/09/15/629480915.db2.gz	TUFVHPFVBCEKSP-CYBMUJFWSA-N	-1	0	280.343	2.833	20	30		CFEDRM
CC[C@@H](NN=C1CCSc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793058363	629481593	/nfs/dbraw/zinc/48/15/93/629481593.db2.gz	TYFSVGPHSAMFLT-SNVBAGLBSA-N	-1	0	298.795	2.993	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(Br)c(C)c1)C(=O)[O-]	ZINC000793072056	629482740	/nfs/dbraw/zinc/48/27/40/629482740.db2.gz	LNFRVSDGNPMGBZ-NSHDSACASA-N	-1	0	299.168	2.544	20	30		CFEDRM
CCC(Cc1ccc(C)cc1)=NN[C@@H](CC)C(=O)[O-]	ZINC000793071894	629482891	/nfs/dbraw/zinc/48/28/91/629482891.db2.gz	MSIMSACNVGKQKY-AWEZNQCLSA-N	-1	0	262.353	2.756	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(-c2ccccc2F)o1)C(=O)[O-]	ZINC000793071465	629482905	/nfs/dbraw/zinc/48/29/05/629482905.db2.gz	JMJXMGPVOLJAFU-CYBMUJFWSA-N	-1	0	290.294	2.872	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-]	ZINC000793071896	629482949	/nfs/dbraw/zinc/48/29/49/629482949.db2.gz	MTPGCOHTYZPLIW-CHWSQXEVSA-N	-1	0	278.327	2.902	20	30		CFEDRM
C=CCOc1ccc(C=NN[C@H](CC)C(=O)[O-])cc1Cl	ZINC000793071455	629482956	/nfs/dbraw/zinc/48/29/56/629482956.db2.gz	JDWPALDKHZVICN-GFCCVEGCSA-N	-1	0	296.754	2.692	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000793071301	629483017	/nfs/dbraw/zinc/48/30/17/629483017.db2.gz	HROXXAJGQAXIOJ-LLVKDONJSA-N	-1	0	288.269	2.882	20	30		CFEDRM
CC[C@@H](NN=C[C@@H](C)CCc1ccccc1)C(=O)[O-]	ZINC000793072652	629483063	/nfs/dbraw/zinc/48/30/63/629483063.db2.gz	UGIWJRHXMMAHLS-GXTWGEPZSA-N	-1	0	262.353	2.694	20	30		CFEDRM
CCc1cccc(Cl)c1C=NN[C@H](CC)C(=O)[O-]	ZINC000793073544	629483638	/nfs/dbraw/zinc/48/36/38/629483638.db2.gz	XGRORNICYJZNCK-GFCCVEGCSA-N	-1	0	268.744	2.689	20	30		CFEDRM
CCCc1ccc(C(C)=NN[C@@H](CC)C(=O)[O-])cc1	ZINC000793073474	629483763	/nfs/dbraw/zinc/48/37/63/629483763.db2.gz	WBSSWMMXKWQCRF-AWEZNQCLSA-N	-1	0	262.353	2.816	20	30		CFEDRM
CC[C@H](NN=C1CCCOc2cc(C)c(C)cc21)C(=O)[O-]	ZINC000793073206	629483821	/nfs/dbraw/zinc/48/38/21/629483821.db2.gz	YZQHDGBGSZGBEA-ZDUSSCGKSA-N	-1	0	290.363	2.633	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(Cl)cc2cccnc12)C(=O)[O-]	ZINC000793077717	629484603	/nfs/dbraw/zinc/48/46/03/629484603.db2.gz	GXHXTRIEGWKQNG-GFCCVEGCSA-N	-1	0	291.738	2.675	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Br)cc1C)C(=O)[O-]	ZINC000793080994	629485017	/nfs/dbraw/zinc/48/50/17/629485017.db2.gz	GNOKHWKOLWWSKX-LLVKDONJSA-N	-1	0	299.168	2.544	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cnccc1C	ZINC000794524977	629654671	/nfs/dbraw/zinc/65/46/71/629654671.db2.gz	XSXLSVKDGYCEDF-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
CSCCON=Cc1cc(Cl)cc(F)c1[O-]	ZINC000794572878	629662563	/nfs/dbraw/zinc/66/25/63/629662563.db2.gz	KBFNBPBFKWOMFH-UHFFFAOYSA-N	-1	0	263.721	2.898	20	30		CFEDRM
Cc1cnn(C)c1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000794710747	629677280	/nfs/dbraw/zinc/67/72/80/629677280.db2.gz	IDDYTBCDDKECQX-XQRVVYSFSA-N	-1	0	276.723	2.984	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccnc(F)c2)c1	ZINC000794717736	629678719	/nfs/dbraw/zinc/67/87/19/629678719.db2.gz	BQZCWKOJXRPURM-PLNGDYQASA-N	-1	0	271.247	2.815	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@H]1CCCSC1	ZINC000794888440	629699534	/nfs/dbraw/zinc/69/95/34/629699534.db2.gz	PVPJPYGJDCFVGZ-SNVBAGLBSA-N	-1	0	264.350	2.926	20	30		CFEDRM
C[C@@H]1CSCC1N=Nc1ccccc1C(=O)[O-]	ZINC000794887003	629699878	/nfs/dbraw/zinc/69/98/78/629699878.db2.gz	DPOMXWBTLZWRQT-MRVPVSSYSA-N	-1	0	250.323	2.536	20	30		CFEDRM
CCC(CC)CNN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794930983	629706516	/nfs/dbraw/zinc/70/65/16/629706516.db2.gz	OALTUSUGLIHJPF-LBPRGKRZSA-N	-1	0	292.379	2.898	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1	ZINC000796970435	629997861	/nfs/dbraw/zinc/99/78/61/629997861.db2.gz	LFDYFHNJXBSFEV-UHFFFAOYSA-N	-1	0	299.367	2.541	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(Cl)c1[O-]	ZINC000798041130	630144057	/nfs/dbraw/zinc/14/40/57/630144057.db2.gz	YAAKMQSTMULPLY-HZMBPMFUSA-N	-1	0	295.766	2.757	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCC23CCOCC3)nc1	ZINC000799884959	630351675	/nfs/dbraw/zinc/35/16/75/630351675.db2.gz	NJDXIEJKAUBOEY-UHFFFAOYSA-N	-1	0	289.335	2.528	20	30		CFEDRM
C=CC[C@H](C(=O)OCc1n[n-]c(C)cc1=O)c1ccccc1	ZINC000802173928	630509789	/nfs/dbraw/zinc/50/97/89/630509789.db2.gz	VJTKLOUPZNZQQN-AWEZNQCLSA-N	-1	0	298.342	2.894	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccc(O)c2)c1	ZINC000806558600	630810714	/nfs/dbraw/zinc/81/07/14/630810714.db2.gz	HDOLDHJFJZQCMI-FPLPWBNLSA-N	-1	0	268.268	2.987	20	30		CFEDRM
O=C([O-])c1cccc(C(=O)/C=C\c2cccc3nccn32)c1	ZINC000806558855	630812332	/nfs/dbraw/zinc/81/23/32/630812332.db2.gz	NNYDMXXCOJBRJC-FPLPWBNLSA-N	-1	0	292.294	2.929	20	30		CFEDRM
C[C@@H]1CC(=NNc2[n-]cnc3ncnc2-3)c2ccccc21	ZINC000807964995	630927296	/nfs/dbraw/zinc/92/72/96/630927296.db2.gz	FMCMYTNXLZULLP-SECBINFHSA-N	-1	0	278.319	2.676	20	30		CFEDRM
C=CCO[N-]C(=O)COc1ccc(C(C)C)c(C)c1	ZINC000837043928	630943411	/nfs/dbraw/zinc/94/34/11/630943411.db2.gz	HFICBOILTVPIIJ-UHFFFAOYSA-N	-1	0	263.337	2.731	20	30		CFEDRM
N#Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])ncn1	ZINC000808089579	630949339	/nfs/dbraw/zinc/94/93/39/630949339.db2.gz	URTSLHOGZMOQTF-UHFFFAOYSA-N	-1	0	295.129	2.973	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837659992	631100367	/nfs/dbraw/zinc/10/03/67/631100367.db2.gz	ZZZGTJNSICSVOI-AWEZNQCLSA-N	-1	0	279.292	2.946	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1	ZINC000042247488	649997206	/nfs/dbraw/zinc/99/72/06/649997206.db2.gz	GOVADEMNASKYRE-UHFFFAOYSA-N	-1	0	285.365	2.777	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000042250730	649997257	/nfs/dbraw/zinc/99/72/57/649997257.db2.gz	KVLXHUPTNXNMMV-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
CO[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000840707040	631175366	/nfs/dbraw/zinc/17/53/66/631175366.db2.gz	RHFVATCOSRUHEZ-BYQGBLLGSA-N	-1	0	298.726	2.798	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000042291210	649997431	/nfs/dbraw/zinc/99/74/31/649997431.db2.gz	FWYWJRLTWQFJHJ-UHFFFAOYSA-N	-1	0	274.342	2.517	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000042276163	649997458	/nfs/dbraw/zinc/99/74/58/649997458.db2.gz	ODOOUBKIFRVKDD-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000042274572	649997504	/nfs/dbraw/zinc/99/75/04/649997504.db2.gz	KCABOJHGYCEVKB-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042243702	649996756	/nfs/dbraw/zinc/99/67/56/649996756.db2.gz	XUXFOXGJTUTKHA-UHFFFAOYSA-N	-1	0	287.387	2.812	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1	ZINC000840947637	631277383	/nfs/dbraw/zinc/27/73/83/631277383.db2.gz	YUMKGYXNTKGFNI-UHFFFAOYSA-N	-1	0	297.342	2.584	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1ccco1	ZINC000042320199	649998034	/nfs/dbraw/zinc/99/80/34/649998034.db2.gz	HMDWYZGZKNWUCS-CSKARUKUSA-N	-1	0	277.301	2.585	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(OC)cc1	ZINC000042343552	649998124	/nfs/dbraw/zinc/99/81/24/649998124.db2.gz	FHFIAFMCPUHGEM-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810531239	631383045	/nfs/dbraw/zinc/38/30/45/631383045.db2.gz	KUKOLODFIZNSBY-MRXNPFEDSA-N	-1	0	296.370	2.969	20	30		CFEDRM
CC([NH2+]Nc1ccc(C(=O)[O-])cc1)=C1CC1(F)F	ZINC000841605414	631428081	/nfs/dbraw/zinc/42/80/81/631428081.db2.gz	ZSUIXZTTXUAPHF-JTQLQIEISA-N	-1	0	254.236	2.828	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H](CC)C(C)C)CC1	ZINC000810980782	631490318	/nfs/dbraw/zinc/49/03/18/631490318.db2.gz	FAXSACQVMGYJGW-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
CC(C)(C(=O)[N-]OCC1(C#N)CCC1)c1ccccc1	ZINC000842027423	631505687	/nfs/dbraw/zinc/50/56/87/631505687.db2.gz	IKICWAHAFNOZTD-UHFFFAOYSA-N	-1	0	272.348	2.706	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(F)cc2[O-])n1	ZINC000811693476	631607248	/nfs/dbraw/zinc/60/72/48/631607248.db2.gz	NCJFEFDVKZLBGB-ONEGZZNKSA-N	-1	0	274.276	2.756	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1O	ZINC000811697582	631608287	/nfs/dbraw/zinc/60/82/87/631608287.db2.gz	FOYTUDVJVDMOCZ-FNORWQNLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)nc1	ZINC000842530202	631653763	/nfs/dbraw/zinc/65/37/63/631653763.db2.gz	HSZKEUVTTYQHBD-MDZLAQPJSA-N	-1	0	271.320	2.780	20	30		CFEDRM
C[C@@H]1C(=NNC23CC(C2)C3)CC[C@H](C(=O)[O-])C1(C)C	ZINC000842544098	631660100	/nfs/dbraw/zinc/66/01/00/631660100.db2.gz	PRHQOJPUOVYIOD-GPZIFOQPSA-N	-1	0	264.369	2.641	20	30		CFEDRM
COc1ccc(F)cc1C=NNc1ccccc1C(=O)[O-]	ZINC000812225187	631670519	/nfs/dbraw/zinc/67/05/19/631670519.db2.gz	ULJMKKFGRMUCKX-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
C#CCON=C(C)c1cc(Br)cc(F)c1[O-]	ZINC000812232461	631672717	/nfs/dbraw/zinc/67/27/17/631672717.db2.gz	ARCHFBIEJCWSAI-UHFFFAOYSA-N	-1	0	286.100	2.668	20	30		CFEDRM
CC(=NOCCOC(C)C)c1cc(C(=O)[O-])ccc1C	ZINC000812238944	631676652	/nfs/dbraw/zinc/67/66/52/631676652.db2.gz	IVBHHGQZSJKHDH-UHFFFAOYSA-N	-1	0	279.336	2.859	20	30		CFEDRM
Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(C)[nH]1	ZINC000812445917	631719190	/nfs/dbraw/zinc/71/91/90/631719190.db2.gz	GJMALYWNNPRGHC-UHFFFAOYSA-N	-1	0	257.293	2.776	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NNc1ccccc1F	ZINC000812458744	631721987	/nfs/dbraw/zinc/72/19/87/631721987.db2.gz	JSQJGMLTAJWYPW-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
N#CC(=C([O-])C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1	ZINC000842942603	631788351	/nfs/dbraw/zinc/78/83/51/631788351.db2.gz	LKECGLYWILUQNA-XDAPLIDNSA-N	-1	0	288.372	2.789	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CO1	ZINC000843264606	631913210	/nfs/dbraw/zinc/91/32/10/631913210.db2.gz	PYGTWZVRYQVHOF-WYZFMJNXSA-N	-1	0	284.699	2.550	20	30		CFEDRM
Cc1ccc(-c2cccc(C=Nn3c(=O)[n-][nH]c3=O)c2)cc1	ZINC000814232277	632042023	/nfs/dbraw/zinc/04/20/23/632042023.db2.gz	ZRXGECFGNWICJK-UHFFFAOYSA-N	-1	0	294.314	2.547	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000843998591	632091298	/nfs/dbraw/zinc/09/12/98/632091298.db2.gz	FUONIDXQPUNWFW-VIFPVBQESA-N	-1	0	297.276	2.685	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000844000291	632091741	/nfs/dbraw/zinc/09/17/41/632091741.db2.gz	VJHTWRXYFGOYES-LLVKDONJSA-N	-1	0	277.751	2.921	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccccc1[N+](=O)[O-]	ZINC000814685435	632107693	/nfs/dbraw/zinc/10/76/93/632107693.db2.gz	IIWDPZSQDZJYPF-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@H]1C(N=Nc2ccccc2[N+](=O)[O-])CC[C@H]1CC(=O)[O-]	ZINC000814685618	632109043	/nfs/dbraw/zinc/10/90/43/632109043.db2.gz	LETXYEJCHYEMHC-ZJUUUORDSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCc2ccccc2)c1	ZINC000814751702	632118156	/nfs/dbraw/zinc/11/81/56/632118156.db2.gz	QUDXPCHVTAXVEC-UHFFFAOYSA-N	-1	0	254.289	2.509	20	30		CFEDRM
CCCCNN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000814805532	632127965	/nfs/dbraw/zinc/12/79/65/632127965.db2.gz	IEHPLCDSRSHROG-UHFFFAOYSA-N	-1	0	254.717	2.762	20	30		CFEDRM
C[C@@H]1CC(=NNCc2cccc(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000814804834	632128065	/nfs/dbraw/zinc/12/80/65/632128065.db2.gz	HHLFZRCSTWWXBI-YGRLFVJLSA-N	-1	0	278.327	2.792	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000814829634	632133585	/nfs/dbraw/zinc/13/35/85/632133585.db2.gz	CSCDREKXUTVFHJ-ZJUUUORDSA-N	-1	0	296.317	2.931	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2ccc(OC(F)F)cc2)C1	ZINC000814828572	632133617	/nfs/dbraw/zinc/13/36/17/632133617.db2.gz	JLIZHNJHNQRNKI-UHFFFAOYSA-N	-1	0	270.235	2.551	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C[C@@H]2C)nc1	ZINC000814831911	632134349	/nfs/dbraw/zinc/13/43/49/632134349.db2.gz	WQZOHXPTRBGMHZ-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NNC1CCCC1	ZINC000814832825	632134603	/nfs/dbraw/zinc/13/46/03/632134603.db2.gz	OGQMHNLOMDYGEO-UHFFFAOYSA-N	-1	0	272.348	2.957	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)CCCC(=O)[O-]	ZINC000844243281	632143972	/nfs/dbraw/zinc/14/39/72/632143972.db2.gz	UIPLEQIIZXKIJH-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCc1cc(F)ccc1F	ZINC000814872248	632144320	/nfs/dbraw/zinc/14/43/20/632144320.db2.gz	IASCKBVFBTUOFG-NXEZZACHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@H]1CC(=NNCc2cc(F)ccc2F)CC[C@@H]1C(=O)[O-]	ZINC000814872787	632145098	/nfs/dbraw/zinc/14/50/98/632145098.db2.gz	YLTBTJKRHXORAI-ZANVPECISA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCCc1ccccc1F	ZINC000814875819	632145594	/nfs/dbraw/zinc/14/55/94/632145594.db2.gz	XSVHAQWYGCHSMY-YPMHNXCESA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNCCc1ccccc1F	ZINC000814875818	632145985	/nfs/dbraw/zinc/14/59/85/632145985.db2.gz	XSVHAQWYGCHSMY-WCQYABFASA-N	-1	0	292.354	2.835	20	30		CFEDRM
C[C@H]1C(=NNCc2ccc(C#N)cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814882113	632147592	/nfs/dbraw/zinc/14/75/92/632147592.db2.gz	DNYIUWKAVNISSG-BXUZGUMPSA-N	-1	0	285.347	2.525	20	30		CFEDRM
CC(=NOCc1cccnc1)c1cc(C(=O)[O-])cs1	ZINC000814884183	632148289	/nfs/dbraw/zinc/14/82/89/632148289.db2.gz	PZDHRPRFNVSVIM-UHFFFAOYSA-N	-1	0	276.317	2.782	20	30		CFEDRM
CC(N=Nc1ncc(F)cn1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814888469	632150019	/nfs/dbraw/zinc/15/00/19/632150019.db2.gz	ARXDVOMETMKMFU-KOLCDFICSA-N	-1	0	294.330	2.541	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC[C@@](C)(OC)C1CC1	ZINC000814887648	632150119	/nfs/dbraw/zinc/15/01/19/632150119.db2.gz	QATDWGMCYPMJNG-OAHLLOKOSA-N	-1	0	292.335	2.606	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCCc3sccc32)nc1	ZINC000814890452	632150901	/nfs/dbraw/zinc/15/09/01/632150901.db2.gz	OTEKFJARQPXTON-UHFFFAOYSA-N	-1	0	287.344	2.994	20	30		CFEDRM
CC(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CS1	ZINC000814889819	632151176	/nfs/dbraw/zinc/15/11/76/632151176.db2.gz	AQIFLMSGMXXVJV-LLVKDONJSA-N	-1	0	279.365	2.709	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2cc(Cl)ccn2)c1	ZINC000814897805	632154167	/nfs/dbraw/zinc/15/41/67/632154167.db2.gz	FNRZIGSXWLKGGA-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
COc1cccc(N=NC(C)CC2(C(=O)[O-])CCC2)n1	ZINC000814900343	632155158	/nfs/dbraw/zinc/15/51/58/632155158.db2.gz	OOMYYKLYLQRSPQ-UHFFFAOYSA-N	-1	0	277.324	2.523	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccnc(F)c1	ZINC000814901883	632155787	/nfs/dbraw/zinc/15/57/87/632155787.db2.gz	APBURIRSOFZRSN-RKDXNWHRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
N#Cc1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1Cl	ZINC000814901451	632155954	/nfs/dbraw/zinc/15/59/54/632155954.db2.gz	NRDLIHPWPZAMET-UHFFFAOYSA-N	-1	0	288.694	2.684	20	30		CFEDRM
C[C@@H]1CC(=NNCCC(C)(C)C)CC[C@H]1C(=O)[O-]	ZINC000814901208	632156070	/nfs/dbraw/zinc/15/60/70/632156070.db2.gz	CVEIBZRLNZBNLP-ZYHUDNBSSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CCOCCON=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814907522	632158981	/nfs/dbraw/zinc/15/89/81/632158981.db2.gz	NESHIWFZTZNDCL-MNOVXSKESA-N	-1	0	271.357	2.552	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@H]1CCOC(C)(C)C1	ZINC000814910106	632160807	/nfs/dbraw/zinc/16/08/07/632160807.db2.gz	QQLOGZGUVUETSM-LBPRGKRZSA-N	-1	0	282.384	2.555	20	30		CFEDRM
COCCCON=C(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814931437	632170372	/nfs/dbraw/zinc/17/03/72/632170372.db2.gz	GXHYBRPKAXBMMG-NEPJUHHUSA-N	-1	0	271.357	2.552	20	30		CFEDRM
C[C@@H]1C(=NNCC2CCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814933471	632172091	/nfs/dbraw/zinc/17/20/91/632172091.db2.gz	PCWHRRYQEQBARY-JQWIXIFHSA-N	-1	0	252.358	2.643	20	30		CFEDRM
C[C@@H](COc1ccccc1)NN=C1CCC(C(=O)[O-])CC1	ZINC000814934453	632172679	/nfs/dbraw/zinc/17/26/79/632172679.db2.gz	VKEKZSNTSULEEQ-UEWDXFNNSA-N	-1	0	290.363	2.674	20	30		CFEDRM
CC(=NNC[C@@H]1CCSC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814934507	632172926	/nfs/dbraw/zinc/17/29/26/632172926.db2.gz	AHUNQIZXBQXBEO-YPMHNXCESA-N	-1	0	286.441	2.986	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NNC[C@H]1CCSC1	ZINC000814935997	632173237	/nfs/dbraw/zinc/17/32/37/632173237.db2.gz	UVKIDLHASZNGOW-GFCCVEGCSA-N	-1	0	292.404	2.678	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@H](c2ccccc2)C1)C(=O)[O-]	ZINC000814937328	632174206	/nfs/dbraw/zinc/17/42/06/632174206.db2.gz	BYOVXLXLYSXWLT-OCCSQVGLSA-N	-1	0	260.337	2.763	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@H](Cc2ccccc2)C1)C(=O)[O-]	ZINC000814937000	632174252	/nfs/dbraw/zinc/17/42/52/632174252.db2.gz	QOCAYSFKHMHZIQ-UKRRQHHQSA-N	-1	0	274.364	2.838	20	30		CFEDRM
CC[C@H](NN=C1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-]	ZINC000814937001	632174370	/nfs/dbraw/zinc/17/43/70/632174370.db2.gz	QOCAYSFKHMHZIQ-ZFWWWQNUSA-N	-1	0	274.364	2.838	20	30		CFEDRM
Cc1[nH]c(C=NNc2ccc(F)c(F)c2F)cc1C(=O)[O-]	ZINC000814945936	632177714	/nfs/dbraw/zinc/17/77/14/632177714.db2.gz	XPMSPDYZCWHYCD-UHFFFAOYSA-N	-1	0	297.236	2.885	20	30		CFEDRM
CCCCc1oc2ccccc2c1C=NNCC(=O)[O-]	ZINC000814958822	632179639	/nfs/dbraw/zinc/17/96/39/632179639.db2.gz	UXVOBJMQSPHKNP-UHFFFAOYSA-N	-1	0	274.320	2.784	20	30		CFEDRM
Cc1ccccc1-c1cccc(C=NNCC(=O)[O-])c1	ZINC000814958666	632179748	/nfs/dbraw/zinc/17/97/48/632179748.db2.gz	JQOMDKIFEAIOBK-UHFFFAOYSA-N	-1	0	268.316	2.670	20	30		CFEDRM
Cc1c(N=NC2C[C@@H](C)O[C@@H]2C)cccc1C(=O)[O-]	ZINC000844622478	632265920	/nfs/dbraw/zinc/26/59/20/632265920.db2.gz	DEMSHDBGFUKNBS-PSASIEDQSA-N	-1	0	262.309	2.658	20	30		CFEDRM
Cc1c(NN=C2C[C@H](C)n3ccnc32)cccc1C(=O)[O-]	ZINC000844623344	632266894	/nfs/dbraw/zinc/26/68/94/632266894.db2.gz	MIIWUOHMVHOAAI-VIFPVBQESA-N	-1	0	284.319	2.671	20	30		CFEDRM
COCC(N=Nc1cccc(C(=O)[O-])c1C)C(C)C	ZINC000844622623	632267118	/nfs/dbraw/zinc/26/71/18/632267118.db2.gz	ADWRRXRPNQPYSP-UHFFFAOYSA-N	-1	0	264.325	2.764	20	30		CFEDRM
COC[C@H](C)C(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844624498	632267721	/nfs/dbraw/zinc/26/77/21/632267721.db2.gz	QJPDWOACZNLLEG-VIFPVBQESA-N	-1	0	264.325	2.764	20	30		CFEDRM
Cc1c(N=NC[C@@H]2CCCOC2)cccc1C(=O)[O-]	ZINC000844623998	632267850	/nfs/dbraw/zinc/26/78/50/632267850.db2.gz	ROCSVAHWTHWRSI-NSHDSACASA-N	-1	0	262.309	2.518	20	30		CFEDRM
C=C[C@H](C)ON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000844626287	632268645	/nfs/dbraw/zinc/26/86/45/632268645.db2.gz	SZOMNQLWNCOMGJ-GXFFZTMASA-N	-1	0	259.305	2.944	20	30		CFEDRM
CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000815877907	632327689	/nfs/dbraw/zinc/32/76/89/632327689.db2.gz	LIXCLOAFPCXIFP-UHFFFAOYSA-N	-1	0	284.319	2.537	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCc3cccc(O)c32)c1	ZINC000815877774	632328018	/nfs/dbraw/zinc/32/80/18/632328018.db2.gz	GXVMJXMHTIEUFE-LBPRGKRZSA-N	-1	0	294.310	2.638	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cocn1	ZINC000105754646	632362907	/nfs/dbraw/zinc/36/29/07/632362907.db2.gz	VZMLDIMLBIULTR-NSHDSACASA-N	-1	0	293.282	2.670	20	30		CFEDRM
CC[C@H](C)[C@@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000816499451	632472749	/nfs/dbraw/zinc/47/27/49/632472749.db2.gz	QHTARNVTJIIVPU-KVQBGUIXSA-N	-1	0	283.187	2.980	20	30		CFEDRM
COCCN(CCC#N)Cc1cc(Cl)c(F)cc1[O-]	ZINC000816503961	632473962	/nfs/dbraw/zinc/47/39/62/632473962.db2.gz	SRWPIKFALRSMGZ-UHFFFAOYSA-N	-1	0	286.734	2.547	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1	ZINC000845887848	632591504	/nfs/dbraw/zinc/59/15/04/632591504.db2.gz	PMKFVTFSMXOAHZ-KGYLQXTDSA-N	-1	0	268.316	2.805	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cccc(C3CC3)c2)C(=O)O1	ZINC000817342250	632609859	/nfs/dbraw/zinc/60/98/59/632609859.db2.gz	RKKODJKBRMMPPP-AFCDSYGPSA-N	-1	0	296.322	2.792	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(C2CCC2)cc1	ZINC000846155184	632648655	/nfs/dbraw/zinc/64/86/55/632648655.db2.gz	VKWZIABUIVEVBY-NSHDSACASA-N	-1	0	288.347	2.515	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cccc1C(C)C	ZINC000846152339	632649147	/nfs/dbraw/zinc/64/91/47/632649147.db2.gz	SARBMVLBDZRSQT-GFCCVEGCSA-N	-1	0	290.363	2.679	20	30		CFEDRM
C=C(Br)CN1CCc2cccc(C(=O)[O-])c2C1	ZINC000846276023	632681470	/nfs/dbraw/zinc/68/14/70/632681470.db2.gz	MTPLDVQOSLSCKY-UHFFFAOYSA-N	-1	0	296.164	2.652	20	30		CFEDRM
C=CCCCCN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846279601	632682487	/nfs/dbraw/zinc/68/24/87/632682487.db2.gz	HMMFOQYLXXLSFA-UHFFFAOYSA-N	-1	0	263.337	2.943	20	30		CFEDRM
CC[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000817706838	632688258	/nfs/dbraw/zinc/68/82/58/632688258.db2.gz	FETUPMOELTXQNZ-KQXKAXQNSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846534337	632724365	/nfs/dbraw/zinc/72/43/65/632724365.db2.gz	PQLVYLKGZHNCKQ-LLVKDONJSA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CO[C@H]1CCCC[C@@H]1CC	ZINC000846535492	632724643	/nfs/dbraw/zinc/72/46/43/632724643.db2.gz	BMCWGWCPINIHCP-STQMWFEESA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CCCC)ON=C(C)C	ZINC000846535578	632725300	/nfs/dbraw/zinc/72/53/00/632725300.db2.gz	FVHVVABUQDSCKT-LBPRGKRZSA-N	-1	0	256.346	2.582	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Oc1ccccc1C	ZINC000846537354	632726822	/nfs/dbraw/zinc/72/68/22/632726822.db2.gz	KWXRSIDGQYPWMK-CYBMUJFWSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)SCc1ccccc1	ZINC000846538479	632727277	/nfs/dbraw/zinc/72/72/77/632727277.db2.gz	RSEBUAOZHRRKGA-GFCCVEGCSA-N	-1	0	265.378	2.932	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSCc1ccc(F)cc1	ZINC000846541882	632730971	/nfs/dbraw/zinc/73/09/71/632730971.db2.gz	OSKBSLDCOHJBNN-SNVBAGLBSA-N	-1	0	269.341	2.681	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl	ZINC000846543987	632731765	/nfs/dbraw/zinc/73/17/65/632731765.db2.gz	DJYCYQRTJMBFDG-DTWKUNHWSA-N	-1	0	287.718	2.869	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(OCC)cc1	ZINC000846543171	632732052	/nfs/dbraw/zinc/73/20/52/632732052.db2.gz	GMVWYODHUMXHED-GFCCVEGCSA-N	-1	0	293.363	2.865	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](c1cccc(Cl)c1)N(C)C	ZINC000846545947	632733952	/nfs/dbraw/zinc/73/39/52/632733952.db2.gz	QWNMWJPAYGHWIF-GWCFXTLKSA-N	-1	0	282.771	2.565	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)O[C@@H]1CCC[C@H](C)C1	ZINC000846548335	632736894	/nfs/dbraw/zinc/73/68/94/632736894.db2.gz	SVQGJOGTGLYARP-FQUUOJAGSA-N	-1	0	269.385	2.983	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1	ZINC000846554902	632741618	/nfs/dbraw/zinc/74/16/18/632741618.db2.gz	LLKGWMWTULZXPD-MLGOLLRUSA-N	-1	0	295.379	2.677	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846555265	632741665	/nfs/dbraw/zinc/74/16/65/632741665.db2.gz	TWODVZHPJLQJRO-WRWORJQWSA-N	-1	0	290.146	2.649	20	30		CFEDRM
CC[C@@](C)(C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000847412923	632984596	/nfs/dbraw/zinc/98/45/96/632984596.db2.gz	DNOKQNWBHWHLQS-LBPRGKRZSA-N	-1	0	286.253	2.833	20	30		CFEDRM
C#C[C@@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1	ZINC000848285778	633233131	/nfs/dbraw/zinc/23/31/31/633233131.db2.gz	XWSMRWQZFFZFOC-SNVBAGLBSA-N	-1	0	286.356	2.602	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848414116	633253108	/nfs/dbraw/zinc/25/31/08/633253108.db2.gz	JKTSBYDIELEOIA-ZDUSSCGKSA-N	-1	0	264.325	2.527	20	30		CFEDRM
CCO[C@@H]1CCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414112	633253328	/nfs/dbraw/zinc/25/33/28/633253328.db2.gz	JKJOEXFQMGOJSV-CQSZACIVSA-N	-1	0	276.336	2.671	20	30		CFEDRM
N#C[C@@H]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)C1	ZINC000848414326	633253373	/nfs/dbraw/zinc/25/33/73/633253373.db2.gz	LXXVUWXEULBLMS-GFCCVEGCSA-N	-1	0	271.320	2.795	20	30		CFEDRM
CCCCCCCCC(=O)Nc1ccn(CC(=O)[O-])n1	ZINC000852961024	634866947	/nfs/dbraw/zinc/86/69/47/634866947.db2.gz	ZFXWTBLGVBEDBT-UHFFFAOYSA-N	-1	0	281.356	2.657	20	30		CFEDRM
C=CCCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000848451431	633260795	/nfs/dbraw/zinc/26/07/95/633260795.db2.gz	IMLNXXNZRWMMCQ-GRYCIOLGSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CCOCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000849172491	633579503	/nfs/dbraw/zinc/57/95/03/633579503.db2.gz	SUYQCHZVONKFIB-OQLLNIDSSA-N	-1	0	298.726	2.965	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)CC#N	ZINC000850738897	634068183	/nfs/dbraw/zinc/06/81/83/634068183.db2.gz	GPEZXDTYAHHRLN-GXFFZTMASA-N	-1	0	293.326	2.918	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C2CC2)cc1	ZINC000850767670	634083835	/nfs/dbraw/zinc/08/38/35/634083835.db2.gz	FHUAPDHSHZQQAW-INIZCTEOSA-N	-1	0	296.370	2.945	20	30		CFEDRM
CC(CSCCF)N=Nc1ccc(C(=O)[O-])cc1	ZINC000853251980	634952226	/nfs/dbraw/zinc/95/22/26/634952226.db2.gz	GWTMYXIZNSQXAV-UHFFFAOYSA-N	-1	0	270.329	2.875	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000853258010	634953114	/nfs/dbraw/zinc/95/31/14/634953114.db2.gz	HTKBXTUUNPPYNF-LBPRGKRZSA-N	-1	0	282.727	2.861	20	30		CFEDRM
C#CC1CCC(N=Nc2cccc(C(=O)[O-])c2)CC1	ZINC000853258512	634954085	/nfs/dbraw/zinc/95/40/85/634954085.db2.gz	RYENXUOPDKUGQZ-UHFFFAOYSA-N	-1	0	256.305	2.976	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CC[C@H]3C[C@H]3C2)nc1	ZINC000853326446	634969992	/nfs/dbraw/zinc/96/99/92/634969992.db2.gz	ZUUYUQHHUSQMTN-JFGNBEQYSA-N	-1	0	259.309	2.614	20	30		CFEDRM
C[C@H](NN=Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)C	ZINC000853349654	634979879	/nfs/dbraw/zinc/97/98/79/634979879.db2.gz	DHVQSUINNBDWRD-VIFPVBQESA-N	-1	0	266.316	2.882	20	30		CFEDRM
CO[C@@H](CN=Nc1ccc(C(=O)[O-])nc1)C1CCCCC1	ZINC000853354434	634981167	/nfs/dbraw/zinc/98/11/67/634981167.db2.gz	JBNWATWGDDEMHJ-AWEZNQCLSA-N	-1	0	291.351	2.773	20	30		CFEDRM
COC1(C(C)N=Nc2ccc(C(=O)[O-])c(F)c2)CCC1	ZINC000853354631	634981491	/nfs/dbraw/zinc/98/14/91/634981491.db2.gz	PZCNVDKURMKCSS-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
Cc1c(NN=Cc2ccnn2CC2CC2)cccc1C(=O)[O-]	ZINC000853370453	634985129	/nfs/dbraw/zinc/98/51/29/634985129.db2.gz	NRVGPVQJMDNFIN-UHFFFAOYSA-N	-1	0	298.346	2.746	20	30		CFEDRM
Cc1c(N=NC2CO[C@H](C3CC3)C2)cccc1C(=O)[O-]	ZINC000853370600	634985342	/nfs/dbraw/zinc/98/53/42/634985342.db2.gz	RJVUFYKFHOOCJG-AWEZNQCLSA-N	-1	0	274.320	2.660	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ccncc1F	ZINC000853402949	634995197	/nfs/dbraw/zinc/99/51/97/634995197.db2.gz	NPAOAKVHLZWXQX-UHFFFAOYSA-N	-1	0	281.331	2.856	20	30		CFEDRM
CC(=NOCC1CCC1)c1ccc(CC(=O)[O-])cc1	ZINC000853440117	635000383	/nfs/dbraw/zinc/00/03/83/635000383.db2.gz	SUCOYRSHUFKJPM-UHFFFAOYSA-N	-1	0	261.321	2.854	20	30		CFEDRM
N#CC1(CNC(=O)c2ccc3oc(=S)[n-]c3c2)CCC1	ZINC000854956628	635430879	/nfs/dbraw/zinc/43/08/79/635430879.db2.gz	MFAWVYXDWBLGRY-UHFFFAOYSA-N	-1	0	287.344	2.540	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855027166	635445296	/nfs/dbraw/zinc/44/52/96/635445296.db2.gz	CGIXILYQAUZSHH-AAEUAGOBSA-N	-1	0	297.395	2.757	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855028684	635446296	/nfs/dbraw/zinc/44/62/96/635446296.db2.gz	YXPYFCLCPOWPSM-GHMZBOCLSA-N	-1	0	285.384	2.613	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)Oc1ccccc1F	ZINC000856032057	635706745	/nfs/dbraw/zinc/70/67/45/635706745.db2.gz	FFBFRDJWQKNPCN-LBPRGKRZSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc(OC)cc1	ZINC000856032432	635707602	/nfs/dbraw/zinc/70/76/02/635707602.db2.gz	KRQSQNBKHPEIJZ-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F	ZINC000856033777	635709341	/nfs/dbraw/zinc/70/93/41/635709341.db2.gz	QJYATVGXIMSPHF-UHFFFAOYSA-N	-1	0	296.298	2.635	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC[C@@H]2CCCOCC2)cc1	ZINC000857210865	635947612	/nfs/dbraw/zinc/94/76/12/635947612.db2.gz	GCAOWLMAHADHHP-CYBMUJFWSA-N	-1	0	276.336	2.528	20	30		CFEDRM
CCCCCCCCCC(=O)N(C)Cc1n[n-]c(=O)o1	ZINC000857294248	635961397	/nfs/dbraw/zinc/96/13/97/635961397.db2.gz	BNOPTLYZURMMPH-UHFFFAOYSA-N	-1	0	283.372	2.874	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccco1	ZINC000048424765	650265478	/nfs/dbraw/zinc/26/54/78/650265478.db2.gz	NHYZVALNMVECBD-UHFFFAOYSA-N	-1	0	293.344	2.866	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000048494356	650268606	/nfs/dbraw/zinc/26/86/06/650268606.db2.gz	LAOBAWOMHVJWLU-GMSGAONNSA-N	-1	0	273.741	2.641	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000048472342	650268821	/nfs/dbraw/zinc/26/88/21/650268821.db2.gz	GVMNZTFUSGETEQ-SNVBAGLBSA-N	-1	0	287.406	2.700	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2)c1	ZINC000048505672	650269474	/nfs/dbraw/zinc/26/94/74/650269474.db2.gz	LODUFLJYWIHTTE-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)cc1	ZINC000048427054	650265766	/nfs/dbraw/zinc/26/57/66/650265766.db2.gz	HYSMGTFAEKEBCU-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000081569446	636794513	/nfs/dbraw/zinc/79/45/13/636794513.db2.gz	YXRHCFKAQDYHJI-MRVPVSSYSA-N	-1	0	284.406	2.506	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](OCC)c1ccccc1	ZINC000049054856	650285900	/nfs/dbraw/zinc/28/59/00/650285900.db2.gz	JISXTQIPYSUWFH-CYBMUJFWSA-N	-1	0	299.392	2.851	20	30		CFEDRM
O=c1nc(NN=C[C@H]2CC23CC3)[nH]c2ccccc12	ZINC000863101161	637554811	/nfs/dbraw/zinc/55/48/11/637554811.db2.gz	LAOFZTICKDKYLS-SECBINFHSA-N	-1	0	254.293	2.533	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)[C@H]1CCCCO1	ZINC000863106031	637556874	/nfs/dbraw/zinc/55/68/74/637556874.db2.gz	JMVATSBNQKCZCK-CYBMUJFWSA-N	-1	0	292.335	2.750	20	30		CFEDRM
CCC(CCc1ccccc1)=NN[C@H](CC)C(=O)[O-]	ZINC000863114395	637560559	/nfs/dbraw/zinc/56/05/59/637560559.db2.gz	INLNUIVCIOOZKN-CQSZACIVSA-N	-1	0	262.353	2.838	20	30		CFEDRM
Cc1c(N=NC2CCC(C)(O)CC2)cccc1C(=O)[O-]	ZINC000863124503	637565604	/nfs/dbraw/zinc/56/56/04/637565604.db2.gz	XJSQGWARCDUEHD-UHFFFAOYSA-N	-1	0	276.336	2.786	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(cccc2C2CC2)[nH]1	ZINC000864136418	637889990	/nfs/dbraw/zinc/88/99/90/637889990.db2.gz	YYCKOIOFFNJHBB-UHFFFAOYSA-N	-1	0	298.342	2.758	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864160007	637896687	/nfs/dbraw/zinc/89/66/87/637896687.db2.gz	DVCHORAEOWPGGM-WAYWQWQTSA-N	-1	0	277.320	2.710	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864178655	637904742	/nfs/dbraw/zinc/90/47/42/637904742.db2.gz	IINBJVMXOGTMDU-NNNHXZLVSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000864183300	637906519	/nfs/dbraw/zinc/90/65/19/637906519.db2.gz	RPBNMHUVQZZBFF-STQMWFEESA-N	-1	0	295.766	2.892	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1ccsc1)C(=O)[O-]	ZINC000864182932	637906527	/nfs/dbraw/zinc/90/65/27/637906527.db2.gz	FVMJRKSWQPNVJK-SCZZXKLOSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000864183268	637906858	/nfs/dbraw/zinc/90/68/58/637906858.db2.gz	DFDIDHMNDMHETE-VIFPVBQESA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000864186040	637907577	/nfs/dbraw/zinc/90/75/77/637907577.db2.gz	HPWQNHLQOXIZJY-SRVKXCTJSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC1CCCCC1)C(=O)[O-]	ZINC000864184694	637907730	/nfs/dbraw/zinc/90/77/30/637907730.db2.gz	PUUXYMAMYCVANY-NSHDSACASA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C(=O)[O-]	ZINC000864186039	637907817	/nfs/dbraw/zinc/90/78/17/637907817.db2.gz	HPWQNHLQOXIZJY-IJLUTSLNSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C\SCc1ccco1)C(=O)[O-]	ZINC000864188764	637909531	/nfs/dbraw/zinc/90/95/31/637909531.db2.gz	VCRYOGKMOWSFJA-SMYYYNMVSA-N	-1	0	295.360	2.562	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000864189378	637909570	/nfs/dbraw/zinc/90/95/70/637909570.db2.gz	OURJTNWAPICQFI-VIFPVBQESA-N	-1	0	287.768	2.691	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NC[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864520180	638009868	/nfs/dbraw/zinc/00/98/68/638009868.db2.gz	MNQQTMKOSCICBB-OCCSQVGLSA-N	-1	0	290.363	2.509	20	30		CFEDRM
CCCCCCCNC(=O)N(CC(=O)[O-])C1CCC1	ZINC000864530677	638014785	/nfs/dbraw/zinc/01/47/85/638014785.db2.gz	JYIGNIQSRBWDTR-UHFFFAOYSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Nc1ccc(CC)cc1)C(=O)[O-]	ZINC000864581555	638032977	/nfs/dbraw/zinc/03/29/77/638032977.db2.gz	UQXVHTAZCORWBV-LBPRGKRZSA-N	-1	0	296.754	2.966	20	30		CFEDRM
C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)c2ccccc2)O1	ZINC000076755512	650401204	/nfs/dbraw/zinc/40/12/04/650401204.db2.gz	APERWYUDCAPZBG-RYUDHWBXSA-N	-1	0	297.376	2.680	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC(F)(F)F	ZINC000076756517	650401255	/nfs/dbraw/zinc/40/12/55/650401255.db2.gz	BNHMXJFEQYESBG-UHFFFAOYSA-N	-1	0	295.282	2.983	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)CC2CCC2)c1	ZINC000076760018	650401891	/nfs/dbraw/zinc/40/18/91/650401891.db2.gz	WHJQGYJHNRTXJR-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](c1cccnc1)C1CCCCC1	ZINC000868763329	638976467	/nfs/dbraw/zinc/97/64/67/638976467.db2.gz	IJQOJYKHGQJDJG-OAHLLOKOSA-N	-1	0	274.364	2.979	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccnc3ccccc32)CC1	ZINC000869153946	639049907	/nfs/dbraw/zinc/04/99/07/639049907.db2.gz	IUKCUDKOEUPQLF-LBPRGKRZSA-N	-1	0	282.343	2.889	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCC(C)(C)c1ccccc1	ZINC000191257949	650485590	/nfs/dbraw/zinc/48/55/90/650485590.db2.gz	BPFIMXQJIIFBLR-UHFFFAOYSA-N	-1	0	289.375	2.844	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C/C(=O)c1ccccc1[O-]	ZINC000122696268	639338707	/nfs/dbraw/zinc/33/87/07/639338707.db2.gz	ZUPHZMXJEBRDGE-VOTSOKGWSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CCCCCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122896881	639500839	/nfs/dbraw/zinc/50/08/39/639500839.db2.gz	YNYJBESPYHVEGK-LBPRGKRZSA-N	-1	0	275.352	2.672	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000078527243	650511795	/nfs/dbraw/zinc/51/17/95/650511795.db2.gz	JVSQOYIDUMFZBG-LLVKDONJSA-N	-1	0	296.392	2.687	20	30		CFEDRM
C[C@]1(C(=O)[N-]Oc2cccc(C#N)c2)CC=CCC1	ZINC000870689786	639772774	/nfs/dbraw/zinc/77/27/74/639772774.db2.gz	BJRZLOJAIGKREX-HNNXBMFYSA-N	-1	0	256.305	2.715	20	30		CFEDRM
COCC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCC1	ZINC000870692083	639774600	/nfs/dbraw/zinc/77/46/00/639774600.db2.gz	XWPGVODGHHBPAH-UHFFFAOYSA-N	-1	0	288.347	2.565	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000078701288	650524659	/nfs/dbraw/zinc/52/46/59/650524659.db2.gz	VNMVEDZQQOXSPE-UHFFFAOYSA-N	-1	0	267.350	2.915	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)CC1	ZINC000870834706	641091763	/nfs/dbraw/zinc/09/17/63/641091763.db2.gz	NIWLJABFGZMEKX-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)c2cccc(C(C)C)c2)CC1	ZINC000870839447	641093055	/nfs/dbraw/zinc/09/30/55/641093055.db2.gz	MJYQXZBALQYESN-UHFFFAOYSA-N	-1	0	293.388	2.588	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]OCCCC(F)(F)F	ZINC000871217055	641253351	/nfs/dbraw/zinc/25/33/51/641253351.db2.gz	JLXRXTFVTBTJNF-UHFFFAOYSA-N	-1	0	253.264	2.979	20	30		CFEDRM
CCOC1CC2(C[C@H]2/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000871598224	641364041	/nfs/dbraw/zinc/36/40/41/641364041.db2.gz	JBIWVYLUBXZMHP-RYVVZZOTSA-N	-1	0	290.319	2.677	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1csc2ccccc21	ZINC000193461490	650656816	/nfs/dbraw/zinc/65/68/16/650656816.db2.gz	IBALTYMJPNXVLM-LLVKDONJSA-N	-1	0	284.340	2.502	20	30		CFEDRM
C[C@@H]1CCc2[n-]n(-c3cc(C#N)cc(Cl)n3)c(=O)c2C1	ZINC000871954519	641526571	/nfs/dbraw/zinc/52/65/71/641526571.db2.gz	KGOTWTQPFFJXGT-SCZZXKLOSA-N	-1	0	288.738	2.745	20	30		CFEDRM
Cc1[n-]n(C[C@H]2CCCC2(F)F)c(=O)c1CCC#N	ZINC000871964245	641535110	/nfs/dbraw/zinc/53/51/10/641535110.db2.gz	ZZIGJSYWJHHDNO-GHMZBOCLSA-N	-1	0	269.295	2.560	20	30		CFEDRM
Cc1[n-]n([C@@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N	ZINC000871964015	641535526	/nfs/dbraw/zinc/53/55/26/641535526.db2.gz	NXQJNKNARJJRRU-KGLIPLIRSA-N	-1	0	289.379	2.616	20	30		CFEDRM
CC(C)(C)[C@H]1CC(N=Nc2ccc(C(=O)[O-])cn2)CCO1	ZINC000872360490	641768491	/nfs/dbraw/zinc/76/84/91/641768491.db2.gz	NREUEGYUMNHYEO-GFCCVEGCSA-N	-1	0	291.351	2.773	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC[C@@H]2F)cc1F	ZINC000872380026	641782669	/nfs/dbraw/zinc/78/26/69/641782669.db2.gz	SOPAOYDCHNMVIC-VIFPVBQESA-N	-1	0	254.236	2.814	20	30		CFEDRM
Cc1c(N=NC2CCC[C@H]2F)cccc1C(=O)[O-]	ZINC000872386771	641785515	/nfs/dbraw/zinc/78/55/15/641785515.db2.gz	BCFLTMOGJLOJRK-SNVBAGLBSA-N	-1	0	250.273	2.983	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1cncc(C(=O)[O-])c1	ZINC000872752417	641921230	/nfs/dbraw/zinc/92/12/30/641921230.db2.gz	MPVAQOXPVLVYID-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C1CCN(C(=O)C[C@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000872965098	641972514	/nfs/dbraw/zinc/97/25/14/641972514.db2.gz	ARKKFYBVWPAJAW-GOSISDBHSA-N	-1	0	299.370	2.524	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000873005274	641982639	/nfs/dbraw/zinc/98/26/39/641982639.db2.gz	NWJPSRDJUJTISZ-OLZOCXBDSA-N	-1	0	279.380	2.762	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)c(N[C@H]2C[C@@H](C(=O)[O-])C2)c1	ZINC000873067132	642003338	/nfs/dbraw/zinc/00/33/38/642003338.db2.gz	VQVZSYVGNZXQIU-DTORHVGOSA-N	-1	0	284.237	2.852	20	30		CFEDRM
Cc1c(C#N)c(N[C@H]2C[C@H](C(=O)[O-])C2)nc2ccccc12	ZINC000873076431	642006422	/nfs/dbraw/zinc/00/64/22/642006422.db2.gz	LXAUSFWOPAJACG-XYPYZODXSA-N	-1	0	281.315	2.690	20	30		CFEDRM
C=C(Br)CN1CCc2c(cccc2C(=O)[O-])C1	ZINC000124590860	642267563	/nfs/dbraw/zinc/26/75/63/642267563.db2.gz	ZSDHRARRJVCTFL-UHFFFAOYSA-N	-1	0	296.164	2.652	20	30		CFEDRM
C=C(C)[C@H](CC(=O)[N-]Oc1ccccc1F)OCC	ZINC000874912321	642551459	/nfs/dbraw/zinc/55/14/59/642551459.db2.gz	SZYLYOHVHFVADD-ZDUSSCGKSA-N	-1	0	267.300	2.607	20	30		CFEDRM
C#Cc1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1	ZINC000083883153	650769665	/nfs/dbraw/zinc/76/96/65/650769665.db2.gz	VSJGZYKOMIJOOQ-AWEZNQCLSA-N	-1	0	286.331	2.529	20	30		CFEDRM
N#Cc1cnc2ccccc2c1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085328720	650788071	/nfs/dbraw/zinc/78/80/71/650788071.db2.gz	UDILYSYHIHGYQU-OCCSQVGLSA-N	-1	0	281.315	2.772	20	30		CFEDRM
C[C@@H](Oc1ccccc1)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056513	650795519	/nfs/dbraw/zinc/79/55/19/650795519.db2.gz	LPKRYNUGLCOKPT-LLVKDONJSA-N	-1	0	297.376	2.683	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(F)c(F)c1	ZINC000088800440	650819860	/nfs/dbraw/zinc/81/98/60/650819860.db2.gz	LBEHQIIPRCRIPA-UHFFFAOYSA-N	-1	0	291.319	2.594	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)CCO[C@@H](C)CC(C)C	ZINC000088815176	650821684	/nfs/dbraw/zinc/82/16/84/650821684.db2.gz	CUQNRUOXLBSXFW-NSHDSACASA-N	-1	0	279.402	2.524	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCOC2CC2)c(=O)c1CCC#N	ZINC000877878664	643618189	/nfs/dbraw/zinc/61/81/89/643618189.db2.gz	CIUDPDJIGPNUIY-UHFFFAOYSA-N	-1	0	277.368	2.521	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000089971199	650861217	/nfs/dbraw/zinc/86/12/17/650861217.db2.gz	VSABXFDVYFPSFS-YWEYNIOJSA-N	-1	0	298.320	2.515	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1(C)CCCCC1	ZINC000127969282	644406949	/nfs/dbraw/zinc/40/69/49/644406949.db2.gz	PYKKPLZXLFEHQR-LBPRGKRZSA-N	-1	0	287.363	2.672	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)cc1	ZINC000092467548	650920568	/nfs/dbraw/zinc/92/05/68/650920568.db2.gz	DBDOBNIVJCHTOH-SNVBAGLBSA-N	-1	0	296.754	2.683	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1Cl	ZINC000092462018	650920648	/nfs/dbraw/zinc/92/06/48/650920648.db2.gz	WTYLAOSKKYOGKL-UHFFFAOYSA-N	-1	0	288.130	2.706	20	30		CFEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1C(C)C	ZINC000092551835	650922233	/nfs/dbraw/zinc/92/22/33/650922233.db2.gz	GCRDRPGNEJIVCF-UHFFFAOYSA-N	-1	0	284.319	2.602	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000879900381	644458909	/nfs/dbraw/zinc/45/89/09/644458909.db2.gz	AHLFACSEPRVXPU-UHFFFAOYSA-N	-1	0	286.335	2.718	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1	ZINC000880548510	644761072	/nfs/dbraw/zinc/76/10/72/644761072.db2.gz	WTIVCRJVKRRVPZ-CTYIDZIISA-N	-1	0	263.312	2.680	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)oc1C	ZINC000128710583	644874817	/nfs/dbraw/zinc/87/48/17/644874817.db2.gz	GETUTCHUWXTFHP-CQSZACIVSA-N	-1	0	296.326	2.535	20	30		CFEDRM
Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(Cl)n1	ZINC000133491536	646104967	/nfs/dbraw/zinc/10/49/67/646104967.db2.gz	UFTSWNACLZHWDW-UHFFFAOYSA-N	-1	0	287.706	2.873	20	30		CFEDRM
C=CC[C@H](C)OC(=O)c1ccc(N)c(Cl)c1O	ZINC000884564977	646456403	/nfs/dbraw/zinc/45/64/03/646456403.db2.gz	WZXMUMUOSSTHRZ-ZETCQYMHSA-N	-1	0	255.701	2.749	20	30		CFEDRM
CO[C@H]1C[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000887268017	647255125	/nfs/dbraw/zinc/25/51/25/647255125.db2.gz	ABEASCWQLZCSLR-PIZVWMTCSA-N	-1	0	298.726	2.798	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2CCC3(CCC3)O2)c1	ZINC000887269864	647256639	/nfs/dbraw/zinc/25/66/39/647256639.db2.gz	CQECMYPVRCHYPW-LWLPBDFMSA-N	-1	0	290.319	2.821	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1	ZINC000887311091	647266282	/nfs/dbraw/zinc/26/62/82/647266282.db2.gz	XMVHCLDCKVEFGK-CLWVCHIJSA-N	-1	0	297.354	2.729	20	30		CFEDRM
C#CC1(NC(=O)CC2(CC(=O)[O-])CCCCC2)CCCC1	ZINC000887316293	647267598	/nfs/dbraw/zinc/26/75/98/647267598.db2.gz	NLYQPCHDDIPLNY-UHFFFAOYSA-N	-1	0	291.391	2.864	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000887326855	647272368	/nfs/dbraw/zinc/27/23/68/647272368.db2.gz	PLIGUKVWMRGTID-UHFFFAOYSA-N	-1	0	291.347	2.999	20	30		CFEDRM
O=C([O-])COc1cccc(C(=O)/C=C/c2cccc(O)c2)c1	ZINC000013357587	651171290	/nfs/dbraw/zinc/17/12/90/651171290.db2.gz	DQDVSXQQZGLDTF-BQYQJAHWSA-N	-1	0	298.294	2.752	20	30		CFEDRM
Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000119695205	651299752	/nfs/dbraw/zinc/29/97/52/651299752.db2.gz	IZVZZMDMJIZWQX-HNNXBMFYSA-N	-1	0	284.359	2.685	20	30		CFEDRM
Cc1cc(C)cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000119695061	651299909	/nfs/dbraw/zinc/29/99/09/651299909.db2.gz	IZVZZMDMJIZWQX-OAHLLOKOSA-N	-1	0	284.359	2.685	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1cc(F)cc(F)c1[O-]	ZINC001243501796	782236593	/nfs/dbraw/zinc/23/65/93/782236593.db2.gz	CBCZQUYBRDFXQU-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2F)c(C#N)c1	ZINC001243508959	782244642	/nfs/dbraw/zinc/24/46/42/782244642.db2.gz	IZTTYIGUINIXJE-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1ccc(Cl)c([O-])c1	ZINC001243578987	782289453	/nfs/dbraw/zinc/28/94/53/782289453.db2.gz	MMOZZMOTNLQRFU-UHFFFAOYSA-N	-1	0	270.679	2.554	20	30		CFEDRM
CCOC(=O)c1nonc1[N-]c1cc(Cl)cc(C#N)c1	ZINC001210536599	770306382	/nfs/dbraw/zinc/30/63/82/770306382.db2.gz	SPAVWIHPNLJYMT-UHFFFAOYSA-N	-1	0	292.682	2.515	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1cc(F)c(N)c(F)c1	ZINC001210908166	770389177	/nfs/dbraw/zinc/38/91/77/770389177.db2.gz	IWJWKXYWLOITAB-UHFFFAOYSA-N	-1	0	267.260	2.929	20	30		CFEDRM
C=CCN(CC=C)Cc1ncc(Br)cc1[O-]	ZINC000891448883	770621559	/nfs/dbraw/zinc/62/15/59/770621559.db2.gz	FYVKZCDZWSKQHH-UHFFFAOYSA-N	-1	0	283.169	2.724	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1	ZINC000724456739	770889195	/nfs/dbraw/zinc/88/91/95/770889195.db2.gz	LFNHZHGLRDEEOT-UONOGXRCSA-N	-1	0	277.364	2.516	20	30		CFEDRM
Cc1c(Nc2ccc(N)cc2C#N)cccc1C(=O)[O-]	ZINC001216661405	773207285	/nfs/dbraw/zinc/20/72/85/773207285.db2.gz	HKSXNEKLUWDLJZ-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
Cc1ccc(Nc2cncc(C#N)c2)cc1C(=O)[O-]	ZINC001211594559	775154864	/nfs/dbraw/zinc/15/48/64/775154864.db2.gz	ZNSMNOKMXDNAMX-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
Cc1ccc(Nc2nc(C)c(C#N)cc2C#N)cc1C(=O)[O-]	ZINC001211597150	775166347	/nfs/dbraw/zinc/16/63/47/775166347.db2.gz	SVEOGMBZNUELLR-UHFFFAOYSA-N	-1	0	292.298	2.884	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC[P@@](=O)([O-])O	ZINC001224603128	775224629	/nfs/dbraw/zinc/22/46/29/775224629.db2.gz	VLWXHXYWUOORMC-WOPDTQHZSA-N	-1	0	262.286	2.562	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC/C=C\c1ccccc1	ZINC000588592770	775243282	/nfs/dbraw/zinc/24/32/82/775243282.db2.gz	HMFRVYDWLMUEJD-POHAHGRESA-N	-1	0	273.332	2.579	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1ccc2[nH]c(=O)ccc2c1	ZINC001213769533	775278813	/nfs/dbraw/zinc/27/88/13/775278813.db2.gz	BGBFDVQMPHSPAE-UHFFFAOYSA-N	-1	0	283.312	2.910	20	30		CFEDRM
CC#CC[C@H](CC)OCCc1ccc(S(=O)(=O)[O-])cc1	ZINC001224903901	775302866	/nfs/dbraw/zinc/30/28/66/775302866.db2.gz	WWBMQESJIORVIL-AWEZNQCLSA-N	-1	0	296.388	2.684	20	30		CFEDRM
C=CC[C@H](C=C)Oc1[nH]c(=O)ncc1C(F)(F)F	ZINC001225577026	775507562	/nfs/dbraw/zinc/50/75/62/775507562.db2.gz	QXKCUYKFSVAPGV-ZETCQYMHSA-N	-1	0	260.215	2.711	20	30		CFEDRM
Cn1nccc1/C=C\C(=O)c1ccc([O-])c(Cl)c1	ZINC000588480247	775639721	/nfs/dbraw/zinc/63/97/21/775639721.db2.gz	FKTWRYSJNHVPIV-HYXAFXHYSA-N	-1	0	262.696	2.675	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225977746	775654682	/nfs/dbraw/zinc/65/46/82/775654682.db2.gz	KEPVLDGVZIRRJD-MRVPVSSYSA-N	-1	0	274.242	2.628	20	30		CFEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009564	775665763	/nfs/dbraw/zinc/66/57/63/775665763.db2.gz	YEMOKQPNNUXGJY-JTQLQIEISA-N	-1	0	250.273	2.922	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009698	775665963	/nfs/dbraw/zinc/66/59/63/775665963.db2.gz	ZQKUNANTMHHCMD-LLVKDONJSA-N	-1	0	274.295	2.781	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCOc2ccccc21	ZINC001226009307	775666504	/nfs/dbraw/zinc/66/65/04/775666504.db2.gz	VDKGPLCNURLNHY-ZDUSSCGKSA-N	-1	0	286.262	2.701	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H]1CCCc2cccnc21	ZINC001226014644	775669301	/nfs/dbraw/zinc/66/93/01/775669301.db2.gz	YUTFVEOGUVIYEK-GFCCVEGCSA-N	-1	0	285.278	2.649	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cnc2ccccn21	ZINC001226013269	775669334	/nfs/dbraw/zinc/66/93/34/775669334.db2.gz	LGLUMXQPKLRIMY-SECBINFHSA-N	-1	0	298.277	2.586	20	30		CFEDRM
N#Cc1c(O[C@@H]2CC[C@H](C#N)C2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063305	775685455	/nfs/dbraw/zinc/68/54/55/775685455.db2.gz	FQHMQTXBVBXTOV-JGVFFNPUSA-N	-1	0	297.236	2.749	20	30		CFEDRM
N#Cc1c(OC2CCC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226065709	775686584	/nfs/dbraw/zinc/68/65/84/775686584.db2.gz	VHJWVAYOTWFUNJ-UHFFFAOYSA-N	-1	0	258.199	2.609	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccccc2C#N)n1	ZINC001226157551	775720510	/nfs/dbraw/zinc/72/05/10/775720510.db2.gz	AZFSEOCGUBUNDV-SNVBAGLBSA-N	-1	0	255.277	2.502	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)COCc2ccccc2)c1C#N	ZINC001226222352	775741741	/nfs/dbraw/zinc/74/17/41/775741741.db2.gz	YPZYIVKKLJQDGO-CYBMUJFWSA-N	-1	0	298.342	2.951	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CC3CCC2CC3)c1C#N	ZINC001226221717	775741768	/nfs/dbraw/zinc/74/17/68/775741768.db2.gz	QCEIPIPQZAOBDG-XIVSLSHWSA-N	-1	0	258.321	2.925	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@@H](CC)CCCC	ZINC001226331801	775782722	/nfs/dbraw/zinc/78/27/22/775782722.db2.gz	PSDGVGOHNGKNHU-JQWIXIFHSA-N	-1	0	293.323	2.687	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])[C@H](CC)CCCC	ZINC001226331804	775783076	/nfs/dbraw/zinc/78/30/76/775783076.db2.gz	PSDGVGOHNGKNHU-PWSUYJOCSA-N	-1	0	293.323	2.687	20	30		CFEDRM
C#C[C@H](Oc1cc(=O)[n-]c(C(F)(F)F)n1)c1ccccc1	ZINC001226346863	775786613	/nfs/dbraw/zinc/78/66/13/775786613.db2.gz	MGDSZUSNPAALIN-JTQLQIEISA-N	-1	0	294.232	2.954	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1F	ZINC001226425368	775818614	/nfs/dbraw/zinc/81/86/14/775818614.db2.gz	VTTQNTKGJRBHJJ-CYBMUJFWSA-N	-1	0	286.306	2.839	20	30		CFEDRM
C#CC[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1O	ZINC001226531709	775862084	/nfs/dbraw/zinc/86/20/84/775862084.db2.gz	FPMPQMVBGCNABA-NSHDSACASA-N	-1	0	272.300	2.988	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1Br	ZINC001226718711	775936577	/nfs/dbraw/zinc/93/65/77/775936577.db2.gz	BHMNATCMFVGFPD-VIFPVBQESA-N	-1	0	299.168	2.906	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226780512	775961543	/nfs/dbraw/zinc/96/15/43/775961543.db2.gz	NDTVBZRWFWUPSN-SECBINFHSA-N	-1	0	276.365	2.603	20	30		CFEDRM
C=C(C)C[C@H](Oc1nc2ncnc-2c(S)[n-]1)C(=C)C	ZINC001226785724	775963882	/nfs/dbraw/zinc/96/38/82/775963882.db2.gz	NYIZEHWEMLGRDN-VIFPVBQESA-N	-1	0	276.365	2.931	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226787192	775966003	/nfs/dbraw/zinc/96/60/03/775966003.db2.gz	WFHGFBWJEWPUPN-MRVPVSSYSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977761	776043422	/nfs/dbraw/zinc/04/34/22/776043422.db2.gz	USJVHPCHYKLYKC-NSHDSACASA-N	-1	0	256.305	2.906	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)nc3nc[nH]c32)C1	ZINC001227069210	776081833	/nfs/dbraw/zinc/08/18/33/776081833.db2.gz	GNAFKJNXWWTHNK-WDEREUQCSA-N	-1	0	286.335	2.738	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111833	776101126	/nfs/dbraw/zinc/10/11/26/776101126.db2.gz	RFNZTUHAXYDAIN-SECBINFHSA-N	-1	0	254.717	2.715	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227349423	776181380	/nfs/dbraw/zinc/18/13/80/776181380.db2.gz	GXQVDGLLBVEWQH-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227625668	776247418	/nfs/dbraw/zinc/24/74/18/776247418.db2.gz	BDQAMKBIVJANOT-QMMMGPOBSA-N	-1	0	299.352	2.936	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227627198	776248157	/nfs/dbraw/zinc/24/81/57/776248157.db2.gz	DHBCFDSBCLPHLR-ZETCQYMHSA-N	-1	0	285.325	2.546	20	30		CFEDRM
C#C[C@H](C)Oc1c(Cl)cc(S(=O)(=O)[O-])cc1Cl	ZINC001227634379	776248457	/nfs/dbraw/zinc/24/84/57/776248457.db2.gz	SOJQSXQWGCXPBZ-LURJTMIESA-N	-1	0	295.143	2.641	20	30		CFEDRM
C=CC[C@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227713830	776267220	/nfs/dbraw/zinc/26/72/20/776267220.db2.gz	QUKHKKJXAGWMBD-NXEZZACHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715853	776269166	/nfs/dbraw/zinc/26/91/66/776269166.db2.gz	HRCGTYXKPFOXQB-VHSXEESVSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[n-]c(=O)nc2cc[nH]c21)C(=C)C	ZINC001227807712	776297357	/nfs/dbraw/zinc/29/73/57/776297357.db2.gz	BBAWDXRCZWBFCF-LLVKDONJSA-N	-1	0	259.309	2.953	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227809295	776297452	/nfs/dbraw/zinc/29/74/52/776297452.db2.gz	OBRMORIOEITUSQ-ZDUSSCGKSA-N	-1	0	293.326	2.873	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2cccnc21)C(C)C	ZINC001228005059	776358485	/nfs/dbraw/zinc/35/84/85/776358485.db2.gz	OSGXZMHSRJNODM-LLVKDONJSA-N	-1	0	259.309	2.710	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccsc1	ZINC000125624429	776388687	/nfs/dbraw/zinc/38/86/87/776388687.db2.gz	VBERMSDKRYASKJ-LBPRGKRZSA-N	-1	0	278.377	2.767	20	30		CFEDRM
C#C[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1	ZINC001228387336	776477417	/nfs/dbraw/zinc/47/74/17/776477417.db2.gz	MQPPJNHLZIOFAM-NSHDSACASA-N	-1	0	260.680	2.589	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]ncc(=O)c1Cl	ZINC001228389662	776478777	/nfs/dbraw/zinc/47/87/77/776478777.db2.gz	DUVBXYZBIVEUNR-SECBINFHSA-N	-1	0	266.728	2.819	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]ncc(=O)c1Cl	ZINC001228391241	776479278	/nfs/dbraw/zinc/47/92/78/776479278.db2.gz	UEXYYUVKZXWYOQ-LURJTMIESA-N	-1	0	262.762	2.701	20	30		CFEDRM
N#C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1cccc(F)c1	ZINC001228483760	776505200	/nfs/dbraw/zinc/50/52/00/776505200.db2.gz	XJJRZPVDQPKOMW-SNVBAGLBSA-N	-1	0	279.658	2.618	20	30		CFEDRM
C#C[C@@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228859638	776636493	/nfs/dbraw/zinc/63/64/93/776636493.db2.gz	MKBRTKRZPCMLLR-LURJTMIESA-N	-1	0	290.197	2.505	20	30		CFEDRM
C=CC(C=C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-]	ZINC001228860914	776638148	/nfs/dbraw/zinc/63/81/48/776638148.db2.gz	XWWPQJFYXIXNPX-UHFFFAOYSA-N	-1	0	290.197	2.834	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCCc2cccnc21	ZINC001228898050	776649412	/nfs/dbraw/zinc/64/94/12/776649412.db2.gz	BJXZDQLQYWDZEJ-LBPRGKRZSA-N	-1	0	267.288	2.510	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@@H](c1cccnc1)C(F)(F)F	ZINC001228903525	776652617	/nfs/dbraw/zinc/65/26/17/776652617.db2.gz	YIXPBLHFEDRQGK-NSHDSACASA-N	-1	0	295.220	2.736	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228973493	776674515	/nfs/dbraw/zinc/67/45/15/776674515.db2.gz	JNDRQZRYQLRSQE-ZETCQYMHSA-N	-1	0	287.337	2.872	20	30		CFEDRM
N#Cc1cc(Nc2cc(F)c(CO)c(F)c2)c([O-])cc1F	ZINC001214039381	776845470	/nfs/dbraw/zinc/84/54/70/776845470.db2.gz	TWQYNMCNPRSKEJ-UHFFFAOYSA-N	-1	0	294.232	2.917	20	30		CFEDRM
C=C[C@H](CC)Oc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001229626945	776858692	/nfs/dbraw/zinc/85/86/92/776858692.db2.gz	UWNCGKDHCYOOPH-DGCLKSJQSA-N	-1	0	291.372	2.924	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1ccccc1-c1nn[nH]n1	ZINC001229951091	776922491	/nfs/dbraw/zinc/92/24/91/776922491.db2.gz	PPJJXUZRHHIBRJ-LBPRGKRZSA-N	-1	0	282.347	2.850	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1ccccc1-c1nn[nH]n1	ZINC001229951724	776923485	/nfs/dbraw/zinc/92/34/85/776923485.db2.gz	UNOSFQWHMWJXMZ-SECBINFHSA-N	-1	0	278.381	2.733	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ncc(C(=O)OC)[n-]1	ZINC001230282031	776970670	/nfs/dbraw/zinc/97/06/70/776970670.db2.gz	NXYQACHTQLWUKC-NTZNESFSSA-N	-1	0	278.352	2.956	20	30		CFEDRM
C=C(C)C(=O)OC[C@H](C)Oc1ccccc1[S-]	ZINC001225583781	777056939	/nfs/dbraw/zinc/05/69/39/777056939.db2.gz	KFKCGYZPEASXPN-JTQLQIEISA-N	-1	0	252.335	2.862	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230885867	777081913	/nfs/dbraw/zinc/08/19/13/777081913.db2.gz	ZCYYVLQCQDKUSE-SNVBAGLBSA-N	-1	0	260.268	2.655	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230889029	777083491	/nfs/dbraw/zinc/08/34/91/777083491.db2.gz	RLSLTROBMVIXPP-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C#C[C@@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231045239	777120603	/nfs/dbraw/zinc/12/06/03/777120603.db2.gz	UGDNFQNKXWKSAS-RXMQYKEDSA-N	-1	0	256.092	2.665	20	30		CFEDRM
C[C@H](Oc1ncnc2c(C#N)cccc12)C1=CC=C[CH]1	ZINC001231038307	777122074	/nfs/dbraw/zinc/12/20/74/777122074.db2.gz	AOKLDQGRQUUPQR-NSHDSACASA-N	-1	0	262.292	2.969	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231072609	777132799	/nfs/dbraw/zinc/13/27/99/777132799.db2.gz	CMRDYABYRBDZHK-VIFPVBQESA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=CC[C@@H](C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231220466	777173002	/nfs/dbraw/zinc/17/30/02/777173002.db2.gz	GWTBZSFUXZQHKZ-SSDOTTSWSA-N	-1	0	268.225	2.552	20	30		CFEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C#N)c2ccccc2)[n-]1	ZINC001231260661	777180340	/nfs/dbraw/zinc/18/03/40/777180340.db2.gz	VHNHISSOGPAIJS-LBPRGKRZSA-N	-1	0	285.259	2.648	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231347825	777198098	/nfs/dbraw/zinc/19/80/98/777198098.db2.gz	SZQBQZSTKQXHRY-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=C1O[C@@H](CC)C(=O)C1Oc1cccc([S-])c1	ZINC001226014397	777381356	/nfs/dbraw/zinc/38/13/56/777381356.db2.gz	TUHSIBAPXVVMSA-NSHDSACASA-N	-1	0	250.319	2.964	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2c(F)cc(C#N)cc2F)C1	ZINC000126935395	777647540	/nfs/dbraw/zinc/64/75/40/777647540.db2.gz	RTJYDCKFVRFANE-HNNXBMFYSA-N	-1	0	294.301	2.918	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cl)o1	ZINC000127305296	777975246	/nfs/dbraw/zinc/97/52/46/777975246.db2.gz	POEQRWSHHAUHEG-SNVBAGLBSA-N	-1	0	294.738	2.704	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1cc([O-])cc2occc(=O)c12	ZINC001233834609	778089888	/nfs/dbraw/zinc/08/98/88/778089888.db2.gz	PBPKQPXACXOGGM-ZWNOBZJWSA-N	-1	0	270.284	2.679	20	30		CFEDRM
CC#C[C@@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233834626	778090484	/nfs/dbraw/zinc/09/04/84/778090484.db2.gz	PHNAOQKBMBLMOQ-LLVKDONJSA-N	-1	0	258.273	2.679	20	30		CFEDRM
C=CC[C@H](C=C)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234046079	778151851	/nfs/dbraw/zinc/15/18/51/778151851.db2.gz	XXXWIGXUXWWYIP-JTQLQIEISA-N	-1	0	272.304	2.859	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511841	778240682	/nfs/dbraw/zinc/24/06/82/778240682.db2.gz	XDAMXJFQCJMGIL-SECBINFHSA-N	-1	0	255.277	2.550	20	30		CFEDRM
C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511600	778240934	/nfs/dbraw/zinc/24/09/34/778240934.db2.gz	RSOAIJXIHSJLNE-CABZTGNLSA-N	-1	0	269.304	2.774	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC001235069857	778370628	/nfs/dbraw/zinc/37/06/28/778370628.db2.gz	XTNHXTUETLNQTM-QMMMGPOBSA-N	-1	0	299.143	2.639	20	30		CFEDRM
N#Cc1cccnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235984356	778639206	/nfs/dbraw/zinc/63/92/06/778639206.db2.gz	DTKCWWCJTMHHCZ-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cl)c(Cl)c1	ZINC000129063750	778666331	/nfs/dbraw/zinc/66/63/31/778666331.db2.gz	YIZCQXJFPWOKQI-SECBINFHSA-N	-1	0	297.141	2.594	20	30		CFEDRM
COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1CC#N	ZINC001236063809	778676547	/nfs/dbraw/zinc/67/65/47/778676547.db2.gz	KIMJAIWMLDOUHC-UHFFFAOYSA-N	-1	0	295.294	2.904	20	30		CFEDRM
COc1nc(-c2c(F)ccc(C)c2[O-])ccc1C#N	ZINC001236391199	778799272	/nfs/dbraw/zinc/79/92/72/778799272.db2.gz	HYYMCGMCEFJNDE-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
COc1cc(-c2c(F)ccc(C)c2[O-])ncc1C#N	ZINC001236394444	778801712	/nfs/dbraw/zinc/80/17/12/778801712.db2.gz	WLYVOCTUTCUERP-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CSCc2ccncc2)c1	ZINC000176408884	779125137	/nfs/dbraw/zinc/12/51/37/779125137.db2.gz	SHFXZJUAQNRWSA-UHFFFAOYSA-N	-1	0	299.355	2.531	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1F	ZINC001238144080	779260039	/nfs/dbraw/zinc/26/00/39/779260039.db2.gz	TXAVJDFYMWIBDG-VIFPVBQESA-N	-1	0	254.692	2.673	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cccc(C(F)(F)F)c1	ZINC000130511860	779443853	/nfs/dbraw/zinc/44/38/53/779443853.db2.gz	ZYSPKKKWEALRFM-LLVKDONJSA-N	-1	0	298.264	2.552	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])cc2F)c(F)cc1C#N	ZINC001239250194	779483776	/nfs/dbraw/zinc/48/37/76/779483776.db2.gz	KEAVVJOYGOFWHS-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1cncc(-c2ccc(Cl)c(C(=O)[O-])c2F)n1	ZINC001236142564	779484555	/nfs/dbraw/zinc/48/45/55/779484555.db2.gz	JANMBZDDFHEUCS-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
N#Cc1cncnc1-c1ccc(Cl)c(C(=O)[O-])c1F	ZINC001236142428	779484561	/nfs/dbraw/zinc/48/45/61/779484561.db2.gz	FZJKQEMXJYVUOD-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1CC#N	ZINC001239253613	779485182	/nfs/dbraw/zinc/48/51/82/779485182.db2.gz	AFYLHFLAHFUYDY-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239261191	779489285	/nfs/dbraw/zinc/48/92/85/779489285.db2.gz	KATRPTZHIQWUGK-UHFFFAOYSA-N	-1	0	255.248	2.957	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])cc3F)cn12	ZINC001239260767	779489315	/nfs/dbraw/zinc/48/93/15/779489315.db2.gz	CANKXOGZKFSYMT-UHFFFAOYSA-N	-1	0	281.246	2.710	20	30		CFEDRM
Cc1nccc(-c2ccc(C(=O)[O-])cc2F)c1C#N	ZINC001239275773	779498424	/nfs/dbraw/zinc/49/84/24/779498424.db2.gz	YZRBYHXHRYEKKF-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cnc(-c2cc(F)c(C(=O)[O-])c(F)c2)cc1C#N	ZINC001239345503	779530680	/nfs/dbraw/zinc/53/06/80/779530680.db2.gz	FONNJRRFXULATF-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#CCc1ncccc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239362554	779538736	/nfs/dbraw/zinc/53/87/36/779538736.db2.gz	KWOKZCRGHOSNFC-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1ccncc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239363287	779538810	/nfs/dbraw/zinc/53/88/10/779538810.db2.gz	QFCLXSDACDTYKG-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
C=CC[C@@H](NC(=O)[C@@H](CC)CC1CCCC1)C(=O)[O-]	ZINC001116905758	780257656	/nfs/dbraw/zinc/25/76/56/780257656.db2.gz	AABBWHIYOCZFJM-QWHCGFSZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nccc(C)c1C#N	ZINC001240733049	780400961	/nfs/dbraw/zinc/40/09/61/780400961.db2.gz	CAOAHCMQQSIKTQ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1nc(C)cc(C)c1C#N	ZINC001240733123	780401068	/nfs/dbraw/zinc/40/10/68/780401068.db2.gz	HEHGMHCEMOSVQF-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1cc(-c2ncc3c(c2C#N)CCC3)ccc1C(=O)[O-]	ZINC001240742715	780407355	/nfs/dbraw/zinc/40/73/55/780407355.db2.gz	CKIIKWHBVWHNCP-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
CSc1nc(C)c(C#N)c(-c2ccc([O-])c(F)c2)n1	ZINC001240781909	780436419	/nfs/dbraw/zinc/43/64/19/780436419.db2.gz	KEAGVZNTCPWAPK-UHFFFAOYSA-N	-1	0	275.308	2.890	20	30		CFEDRM
CCc1nnc(-c2ccc(C(=O)[O-])s2)c(C#N)c1CC	ZINC001240846493	780472345	/nfs/dbraw/zinc/47/23/45/780472345.db2.gz	DMEJXAYJANMQHL-UHFFFAOYSA-N	-1	0	287.344	2.900	20	30		CFEDRM
Cc1ccnc(-c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001240971448	780559532	/nfs/dbraw/zinc/55/95/32/780559532.db2.gz	ADKYIXJATKMMDI-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1cc(-c2ccc(CC(=O)[O-])cc2)nc(C2CC2)n1	ZINC001240973373	780561790	/nfs/dbraw/zinc/56/17/90/780561790.db2.gz	IXYJSURCLYSTOI-UHFFFAOYSA-N	-1	0	279.299	2.520	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(CC(=O)[O-])cc3)cn12	ZINC001240976129	780564676	/nfs/dbraw/zinc/56/46/76/780564676.db2.gz	QPRFCXMOKHZBCM-UHFFFAOYSA-N	-1	0	277.283	2.500	20	30		CFEDRM
Cn1ccc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1=O	ZINC001240991202	780577651	/nfs/dbraw/zinc/57/76/51/780577651.db2.gz	CNVFWZFGCOORCZ-QGMBQPNBSA-N	-1	0	296.248	2.879	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nccc(C#N)c1F	ZINC001240999418	780582605	/nfs/dbraw/zinc/58/26/05/780582605.db2.gz	MRVZYTYUQFJYOU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cc(C(=O)[O-])ccc2C)n1	ZINC001240998790	780582880	/nfs/dbraw/zinc/58/28/80/780582880.db2.gz	BSIFAXXPIBAHID-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ncc(C#N)cc1C	ZINC001240999629	780583559	/nfs/dbraw/zinc/58/35/59/780583559.db2.gz	PUAZBDQTAUPCBI-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C#Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cn1	ZINC001212512316	780620024	/nfs/dbraw/zinc/62/00/24/780620024.db2.gz	HADLXXSQOQAEJW-UHFFFAOYSA-N	-1	0	274.226	2.783	20	30		CFEDRM
N#Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)nc(C2CC2)n1	ZINC001241244849	780728765	/nfs/dbraw/zinc/72/87/65/780728765.db2.gz	DYAWNOZHMWBZIG-UHFFFAOYSA-N	-1	0	283.262	2.730	20	30		CFEDRM
Cc1cnc(-c2ccc(F)c(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001241244392	780729146	/nfs/dbraw/zinc/72/91/46/780729146.db2.gz	GVTGOMIRXDAWEI-REZTVBANSA-N	-1	0	274.251	2.702	20	30		CFEDRM
O=C([O-])c1cc(-c2cccc(/C=N/O)c2)ccc1F	ZINC001241246616	780731173	/nfs/dbraw/zinc/73/11/73/780731173.db2.gz	YPKKEQNWZYPMKY-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
N#Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccn1	ZINC001241348519	780801376	/nfs/dbraw/zinc/80/13/76/780801376.db2.gz	XIHNYWBLJJUFNH-UHFFFAOYSA-N	-1	0	258.664	2.972	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])c(Cl)c3)ncc12	ZINC001241347096	780801508	/nfs/dbraw/zinc/80/15/08/780801508.db2.gz	SHZRRZRJGFVCHR-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
Cc1cc(C#N)c(-c2cccc(C(=O)[O-])c2)nc1C	ZINC001241357365	780806764	/nfs/dbraw/zinc/80/67/64/780806764.db2.gz	QWAVDLZKLBVDNX-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cnc(-c2cccc(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001241358442	780807244	/nfs/dbraw/zinc/80/72/44/780807244.db2.gz	OOQWGSHPWIEWNW-LZYBPNLTSA-N	-1	0	256.261	2.563	20	30		CFEDRM
CCCCCCCNC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000703747214	781051483	/nfs/dbraw/zinc/05/14/83/781051483.db2.gz	FEGHIEGBQNLHMA-UHFFFAOYSA-N	-1	0	278.352	2.788	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000703732287	781053667	/nfs/dbraw/zinc/05/36/67/781053667.db2.gz	BNLLUEZZICUZBN-RYUDHWBXSA-N	-1	0	255.358	2.574	20	30		CFEDRM
C=CCc1cc(C)cnc1-c1cncc(C(=O)[O-])c1	ZINC001241800611	781131736	/nfs/dbraw/zinc/13/17/36/781131736.db2.gz	XYFMFGCVLUVXMB-UHFFFAOYSA-N	-1	0	254.289	2.879	20	30		CFEDRM
Cc1nc(-c2cc(F)cc(C(=O)[O-])c2)ccc1C#N	ZINC001241823384	781144606	/nfs/dbraw/zinc/14/46/06/781144606.db2.gz	HWHSSUZJMVLWSS-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(-c2nc(C)cc(C)c2C#N)cc1C(=O)[O-]	ZINC001241856344	781155567	/nfs/dbraw/zinc/15/55/67/781155567.db2.gz	UOFGVAZEJTXLNP-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
C[Si](C)(C)C#Cc1ccccc1-c1cnn(CC(=O)[O-])c1	ZINC001242184399	781316333	/nfs/dbraw/zinc/31/63/33/781316333.db2.gz	JIJYCZVIGHSJHS-UHFFFAOYSA-N	-1	0	298.418	2.864	20	30		CFEDRM
N#CC1(C(=O)[N-]OCCCC(F)(F)F)CCCCC1	ZINC000710141667	781328486	/nfs/dbraw/zinc/32/84/86/781328486.db2.gz	RGWDOPNAZXSMPH-UHFFFAOYSA-N	-1	0	278.274	2.851	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1	ZINC000710174167	781330192	/nfs/dbraw/zinc/33/01/92/781330192.db2.gz	VEPOXTSWPGTPEK-IUODEOHRSA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H](CC)C(C)(C)C	ZINC000711086955	781356234	/nfs/dbraw/zinc/35/62/34/781356234.db2.gz	LIADMYHHFUKZCI-NSHDSACASA-N	-1	0	255.358	2.548	20	30		CFEDRM
N#Cc1ccc2ccnc(-c3ccc(C(=O)[O-])nc3)c2c1	ZINC001242334059	781404947	/nfs/dbraw/zinc/40/49/47/781404947.db2.gz	QBMSBVFLJOKVNV-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(F)c1[O-])CCC2	ZINC001242350063	781423727	/nfs/dbraw/zinc/42/37/27/781423727.db2.gz	FWUKPCYGRCQXQX-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1cccc(C(=O)[O-])c1F	ZINC001242381209	781450133	/nfs/dbraw/zinc/45/01/33/781450133.db2.gz	LJMLVALEBHNFQN-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccnc(C)c1C#N	ZINC001242392977	781461798	/nfs/dbraw/zinc/46/17/98/781461798.db2.gz	IMGKHSMISGZBJE-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
N#Cc1ccc2ncc(-c3ccccc3C(=O)[O-])nc2c1	ZINC001242878601	781817932	/nfs/dbraw/zinc/81/79/32/781817932.db2.gz	GHWMBGYOGHAKDH-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cc(C#N)nc(C2CC2)n1	ZINC001242920460	781842661	/nfs/dbraw/zinc/84/26/61/781842661.db2.gz	QTFBLDHECCLHKO-UHFFFAOYSA-N	-1	0	295.298	2.599	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1cccc(/C=N/O)c1	ZINC001242923293	781844293	/nfs/dbraw/zinc/84/42/93/781844293.db2.gz	GNGKCRPZFQQELO-CXUHLZMHSA-N	-1	0	271.272	2.869	20	30		CFEDRM
CCC(CC)(CNC(=O)Nc1cccc(C#N)c1)C(=O)[O-]	ZINC000165029562	282110584	/nfs/dbraw/zinc/11/05/84/282110584.db2.gz	BVYVAFLLXNGGOQ-UHFFFAOYSA-N	-1	0	289.335	2.571	20	30		CFEDRM
Cc1cc(N[C@H](CC(C)C)C(=O)[O-])cc(C#N)c1[N+](=O)[O-]	ZINC000595965316	349773034	/nfs/dbraw/zinc/77/30/34/349773034.db2.gz	CIYNSOCATOTTDJ-GFCCVEGCSA-N	-1	0	291.307	2.686	20	30		CFEDRM
C[C@@H](Nc1ncc(C#N)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000595969952	349773099	/nfs/dbraw/zinc/77/30/99/349773099.db2.gz	ROHIBFWDVFIGFX-DVVUODLYSA-N	-1	0	291.326	2.640	20	30		CFEDRM
C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C#N)nc2ccccc21	ZINC000595972462	349773670	/nfs/dbraw/zinc/77/36/70/349773670.db2.gz	CIDQDBLZSDZBJK-NWDGAFQWSA-N	-1	0	295.342	2.796	20	30		CFEDRM
N#Cc1[n-]c(=NCCOCC2CCCC2)sc1Cl	ZINC000596262806	349846160	/nfs/dbraw/zinc/84/61/60/349846160.db2.gz	DBPXDDFVCDEFTH-UHFFFAOYSA-N	-1	0	285.800	2.709	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/c2ccc3c(c2)CCC3)c1O	ZINC000005110744	346210280	/nfs/dbraw/zinc/21/02/80/346210280.db2.gz	OYZNJFFTCYMOJD-DJKKODMXSA-N	-1	0	282.343	2.827	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000041562198	346352791	/nfs/dbraw/zinc/35/27/91/346352791.db2.gz	SDFOENBGNQKPMO-LLVKDONJSA-N	-1	0	299.355	2.848	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000076767051	347152093	/nfs/dbraw/zinc/15/20/93/347152093.db2.gz	LQPUXCRTFBXTRG-ZZXKWVIFSA-N	-1	0	287.287	2.576	20	30		CFEDRM
CC(C)[C@@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000087507892	347496113	/nfs/dbraw/zinc/49/61/13/347496113.db2.gz	OSFFKBAJDLSZCI-CYBMUJFWSA-N	-1	0	283.331	2.875	20	30		CFEDRM
Cc1sc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c(C#N)c1C	ZINC000132682220	347886043	/nfs/dbraw/zinc/88/60/43/347886043.db2.gz	KOOBIKCUULPIMV-VHSXEESVSA-N	-1	0	292.360	2.676	20	30		CFEDRM
N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1Cl	ZINC000132654729	347886129	/nfs/dbraw/zinc/88/61/29/347886129.db2.gz	OYBNHRYKKDTOLZ-GHMZBOCLSA-N	-1	0	292.722	2.651	20	30		CFEDRM
N#Cc1cc(F)c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c(F)c1	ZINC000133568531	347892738	/nfs/dbraw/zinc/89/27/38/347892738.db2.gz	CTEHCDPXMJZTIZ-BDAKNGLRSA-N	-1	0	266.247	2.502	20	30		CFEDRM
CC(=Cc1ccc(C)cc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193613278	348142862	/nfs/dbraw/zinc/14/28/62/348142862.db2.gz	AHPNVYXUUQYZOT-FLIBITNWSA-N	-1	0	265.316	2.819	20	30		CFEDRM
N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)CCC1CC1	ZINC000198814386	348151230	/nfs/dbraw/zinc/15/12/30/348151230.db2.gz	VUZMAEVJRPWXTL-UHFFFAOYSA-N	-1	0	284.768	2.753	20	30		CFEDRM
N#Cc1ccc(/C=C\c2ccc(OCCC(=O)[O-])cc2)nc1	ZINC000255108872	348303093	/nfs/dbraw/zinc/30/30/93/348303093.db2.gz	ZRONXWWLZAGSIU-KTAJNNJTSA-N	-1	0	294.310	2.977	20	30		CFEDRM
Cc1csc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C#N	ZINC000585818413	348746061	/nfs/dbraw/zinc/74/60/61/348746061.db2.gz	OKLGDODGQLITFJ-NXEZZACHSA-N	-1	0	290.344	2.534	20	30		CFEDRM
CC(C)c1nc(=Nc2cccc(CC#N)c2)s[n-]1	ZINC000590735783	348939400	/nfs/dbraw/zinc/93/94/00/348939400.db2.gz	LJSAERPOOQWXGJ-UHFFFAOYSA-N	-1	0	258.350	2.893	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1ccc2ccccc2n1	ZINC000591862559	349051725	/nfs/dbraw/zinc/05/17/25/349051725.db2.gz	VSZMYTZZARYDPA-NSHDSACASA-N	-1	0	263.256	2.713	20	30		CFEDRM
N#C[C@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591269694	349005593	/nfs/dbraw/zinc/00/55/93/349005593.db2.gz	QHNPCKCVHIXZRE-GXTWGEPZSA-N	-1	0	258.321	2.808	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N(C)C[C@H](C)C(=O)[O-]	ZINC000591327345	349009964	/nfs/dbraw/zinc/00/99/64/349009964.db2.gz	CHLOMINIGRKKPT-NSHDSACASA-N	-1	0	283.331	2.572	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000591531355	349029331	/nfs/dbraw/zinc/02/93/31/349029331.db2.gz	UVGHULSPODJOMP-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
CCCCc1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cc1	ZINC000592646911	349145607	/nfs/dbraw/zinc/14/56/07/349145607.db2.gz	NWHXNBNKUDSRRM-UHFFFAOYSA-N	-1	0	296.374	2.617	20	30		CFEDRM
Cc1cc(NC(=O)CCCCC#N)ccc1C(=O)[O-]	ZINC000594456637	349426040	/nfs/dbraw/zinc/42/60/40/349426040.db2.gz	ANCDLJWYOZYUCW-UHFFFAOYSA-N	-1	0	260.293	2.716	20	30		CFEDRM
N#CC[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000597904028	350153336	/nfs/dbraw/zinc/15/33/36/350153336.db2.gz	CODBBOAAQRKSCV-VIFPVBQESA-N	-1	0	296.729	2.951	20	30		CFEDRM
N#CC1(CNC(=O)c2s[n-]c(=O)c2Cl)CCCCC1	ZINC000598315178	350233448	/nfs/dbraw/zinc/23/34/48/350233448.db2.gz	JDUKCLOLHBXOJS-UHFFFAOYSA-N	-1	0	299.783	2.706	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CC(Cc3ccsc3)C2)cc1O	ZINC000598778394	350327795	/nfs/dbraw/zinc/32/77/95/350327795.db2.gz	GIZVHRWXXIKILS-UHFFFAOYSA-N	-1	0	298.367	2.640	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)N2CC(Cc3ccsc3)C2)c1	ZINC000598778258	350328055	/nfs/dbraw/zinc/32/80/55/350328055.db2.gz	DTYDWLZFRPROIU-UHFFFAOYSA-N	-1	0	298.367	2.640	20	30		CFEDRM
CCCC[C@@H](Sc1cccc(C#N)n1)C(=O)[O-]	ZINC000600674728	350594885	/nfs/dbraw/zinc/59/48/85/350594885.db2.gz	GUAZQQKINYZZNP-SNVBAGLBSA-N	-1	0	250.323	2.689	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCC1	ZINC000600676527	350595690	/nfs/dbraw/zinc/59/56/90/350595690.db2.gz	WNXALLKRSJZXOX-UHFFFAOYSA-N	-1	0	296.330	2.600	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CSCC(=O)[O-])c1ccccc1	ZINC000600872333	350621603	/nfs/dbraw/zinc/62/16/03/350621603.db2.gz	NNMIJELLERVNBA-CYBMUJFWSA-N	-1	0	293.388	2.628	20	30		CFEDRM
CCCN=c1[n-]nc(Sc2cc(C#N)cc(C)n2)s1	ZINC000601101631	350668691	/nfs/dbraw/zinc/66/86/91/350668691.db2.gz	QPWAUHHPGILGKS-UHFFFAOYSA-N	-1	0	291.405	2.508	20	30		CFEDRM
C[C@@H]1CCc2c1[n-]n(-c1ccc(C#N)c(Cl)c1)c2=O	ZINC000601950490	350816810	/nfs/dbraw/zinc/81/68/10/350816810.db2.gz	UWACFTDMKQCMHT-KCJUWKMLSA-N	-1	0	273.723	2.960	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1cc(F)cc(C#N)c1	ZINC000601991587	350824629	/nfs/dbraw/zinc/82/46/29/350824629.db2.gz	ILGASQDGQORSFY-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000601982525	350823141	/nfs/dbraw/zinc/82/31/41/350823141.db2.gz	CSJHAMLFNKRYRP-OAHLLOKOSA-N	-1	0	274.320	2.582	20	30		CFEDRM
C[C@@H](CC#N)n1[n-]c(CCc2ccccc2)cc1=O	ZINC000601935997	350808445	/nfs/dbraw/zinc/80/84/45/350808445.db2.gz	NNRPRRUIGVIOGS-LBPRGKRZSA-N	-1	0	255.321	2.510	20	30		CFEDRM
C[C@@H](CC#N)n1[n-]c(-c2c(F)cccc2Cl)cc1=O	ZINC000601937084	350809386	/nfs/dbraw/zinc/80/93/86/350809386.db2.gz	YNGUNMVXGAZTMI-QMMMGPOBSA-N	-1	0	279.702	2.718	20	30		CFEDRM
Cc1nc(C#N)c(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)o1	ZINC000601940052	350811035	/nfs/dbraw/zinc/81/10/35/350811035.db2.gz	QSACYVAHTSEOTG-WDEREUQCSA-N	-1	0	286.335	2.630	20	30		CFEDRM
Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CCC#N	ZINC000601943345	350811780	/nfs/dbraw/zinc/81/17/80/350811780.db2.gz	DLTFRYMGVUVCIB-SNVBAGLBSA-N	-1	0	296.252	2.743	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(F)cc(C#N)c1	ZINC000601996138	350826007	/nfs/dbraw/zinc/82/60/07/350826007.db2.gz	VEPOTYZMVHZPHR-AWEZNQCLSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)cc2F)c(=O)c1CCC#N	ZINC000603923685	351191853	/nfs/dbraw/zinc/19/18/53/351191853.db2.gz	LKBLMMODYKKQPT-JTQLQIEISA-N	-1	0	263.247	2.607	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1	ZINC000614370160	352086266	/nfs/dbraw/zinc/08/62/66/352086266.db2.gz	VCLZUSQXRKQKTQ-HZPDHXFCSA-N	-1	0	284.359	2.962	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000617779197	352642384	/nfs/dbraw/zinc/64/23/84/352642384.db2.gz	XBGYHKWAVYCIRN-MRVPVSSYSA-N	-1	0	286.784	2.930	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@H]2N=c1[n-]nc(C(F)F)s1	ZINC000618693823	352862794	/nfs/dbraw/zinc/86/27/94/352862794.db2.gz	QBBFFJDRGWRTCB-SNVBAGLBSA-N	-1	0	292.314	2.869	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c([O-])cccc1F	ZINC000620305544	353149254	/nfs/dbraw/zinc/14/92/54/353149254.db2.gz	KSJICCZHPCRNRY-PHIMTYICSA-N	-1	0	261.296	2.855	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000621579884	353381693	/nfs/dbraw/zinc/38/16/93/353381693.db2.gz	DIEZSEGJQRBXQA-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC(C)(C)CCN=c1nc(C2CCOCC2)[n-]s1	ZINC000624432427	353880357	/nfs/dbraw/zinc/88/03/57/353880357.db2.gz	KVCXJIJCCGBPTH-UHFFFAOYSA-N	-1	0	281.425	2.868	20	30		CFEDRM
CCc1nocc1C([O-])=C(C#N)c1nc2ccccc2n1C	ZINC000626283903	354244604	/nfs/dbraw/zinc/24/46/04/354244604.db2.gz	VBQWVGODOMHFAP-SNVBAGLBSA-N	-1	0	294.314	2.614	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N=c1[n-]nc(CCC)s1	ZINC000626225798	354233825	/nfs/dbraw/zinc/23/38/25/354233825.db2.gz	LMXRKUHWXLZEJN-UHFFFAOYSA-N	-1	0	282.413	2.636	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1	ZINC000628489505	354605877	/nfs/dbraw/zinc/60/58/77/354605877.db2.gz	XVPQFXQLLVFZNE-ZDUSSCGKSA-N	-1	0	297.358	2.616	20	30		CFEDRM
C=CCN1C(=O)N=NC1SCC(=O)C1C(C)(C)C1(C)C	ZINC000629162501	354762610	/nfs/dbraw/zinc/76/26/10/354762610.db2.gz	WWMNGUZLLABQDT-UHFFFAOYSA-N	-1	0	295.408	2.513	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000630231557	355030924	/nfs/dbraw/zinc/03/09/24/355030924.db2.gz	DOZYFRZVSXFRSP-UHFFFAOYSA-N	-1	0	287.359	2.698	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630289323	355038888	/nfs/dbraw/zinc/03/88/88/355038888.db2.gz	OOZPCYQSNTWCMM-JTQLQIEISA-N	-1	0	265.284	2.608	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1sc(C(C)C)nc1C)C(=O)[O-]	ZINC000630316782	355048524	/nfs/dbraw/zinc/04/85/24/355048524.db2.gz	HXGZRWOSRGNAOE-JTQLQIEISA-N	-1	0	296.392	2.724	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1cncc(C(=O)[O-])c1	ZINC000630314847	355048960	/nfs/dbraw/zinc/04/89/60/355048960.db2.gz	WCNIICLHBOKEPD-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1cccc(Cl)c1)C(=O)[O-]	ZINC000630318463	355049414	/nfs/dbraw/zinc/04/94/14/355049414.db2.gz	HMYBQGADUBYJTR-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000630319355	355049963	/nfs/dbraw/zinc/04/99/63/355049963.db2.gz	YVHWJSHXEFHNHC-LBPRGKRZSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CC)OC1CCCCC1)C(=O)[O-]	ZINC000630319848	355050021	/nfs/dbraw/zinc/05/00/21/355050021.db2.gz	IWWVQXZCOIZNBL-KBPBESRZSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC000630319836	355050056	/nfs/dbraw/zinc/05/00/56/355050056.db2.gz	IUMMHWAXLFVGOO-GFCCVEGCSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000630319811	355050111	/nfs/dbraw/zinc/05/01/11/355050111.db2.gz	IFUOLLFBJZYFKS-CABZTGNLSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000630319262	355050122	/nfs/dbraw/zinc/05/01/22/355050122.db2.gz	WZDOCHPYKGITCD-HNNXBMFYSA-N	-1	0	287.359	2.715	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CO[C@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630320724	355050799	/nfs/dbraw/zinc/05/07/99/355050799.db2.gz	AQJOAOLJVOYDFS-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000630320770	355050868	/nfs/dbraw/zinc/05/08/68/355050868.db2.gz	BOJLMKSRBNYANF-RQJABVFESA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630320705	355050906	/nfs/dbraw/zinc/05/09/06/355050906.db2.gz	AFHGBBYQFRPLGP-STQMWFEESA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630320587	355050929	/nfs/dbraw/zinc/05/09/29/355050929.db2.gz	ZYJFQVWMKZPBPJ-OAHLLOKOSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630322068	355051527	/nfs/dbraw/zinc/05/15/27/355051527.db2.gz	OXLXLTAECDOOEN-TZMCWYRMSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCc1ccc(F)cc1)C(=O)[O-]	ZINC000630323141	355051646	/nfs/dbraw/zinc/05/16/46/355051646.db2.gz	ZMVQEIMHFCETBR-CQSZACIVSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000630322908	355051667	/nfs/dbraw/zinc/05/16/67/355051667.db2.gz	XQOGHLXPNQMOFE-ZWNOBZJWSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000630324507	355052211	/nfs/dbraw/zinc/05/22/11/355052211.db2.gz	FERSVJORVRQZOZ-SMDDNHRTSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(CC)cc1)C(=O)[O-]	ZINC000630546495	355108167	/nfs/dbraw/zinc/10/81/67/355108167.db2.gz	WICLAXSSPIYXDT-ZDUSSCGKSA-N	-1	0	276.336	2.790	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1ccc(CC)s1)C(=O)[O-]	ZINC000630471297	355091265	/nfs/dbraw/zinc/09/12/65/355091265.db2.gz	CDZKOOZVCYPVOB-LBPRGKRZSA-N	-1	0	296.392	2.529	20	30		CFEDRM
Cc1conc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000634011828	356058120	/nfs/dbraw/zinc/05/81/20/356058120.db2.gz	JNHXGWHDXSMVFR-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
Cc1cc(N=c2s[n-]c(C)c2C#N)nn1[C@@H](C)C1CC1	ZINC000329324417	202282317	/nfs/dbraw/zinc/28/23/17/202282317.db2.gz	IAJUOHMGCDGPRZ-JTQLQIEISA-N	-1	0	287.392	2.965	20	30		CFEDRM
CCN=c1[n-]nc(SCc2ccc(C#N)c(C)c2)s1	ZINC000447290394	241362788	/nfs/dbraw/zinc/36/27/88/241362788.db2.gz	MSEZDURFXYJDOV-UHFFFAOYSA-N	-1	0	290.417	2.864	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(C#N)cc2)o1	ZINC000450249846	242323807	/nfs/dbraw/zinc/32/38/07/242323807.db2.gz	DBYQMXKFURCHSD-JTQLQIEISA-N	-1	0	256.309	2.660	20	30		CFEDRM
CCc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000003334879	371793233	/nfs/dbraw/zinc/79/32/33/371793233.db2.gz	SRXSEKQRGUXCAS-UHFFFAOYSA-N	-1	0	286.356	2.921	20	30		CFEDRM
C=CCOc1ccccc1C(=O)NCCCCCC(=O)[O-]	ZINC000036970879	372618781	/nfs/dbraw/zinc/61/87/81/372618781.db2.gz	NCXBYMCJLFPTTK-UHFFFAOYSA-N	-1	0	291.347	2.626	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)cc1C#N	ZINC000036978463	372620915	/nfs/dbraw/zinc/62/09/15/372620915.db2.gz	BVVNGZQJFNLDNG-SSDOTTSWSA-N	-1	0	272.226	2.852	20	30		CFEDRM
CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1	ZINC000041519495	372845188	/nfs/dbraw/zinc/84/51/88/372845188.db2.gz	FNKPIAIJMHUNOK-ZDUSSCGKSA-N	-1	0	299.355	2.900	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)n1	ZINC000041520413	372845708	/nfs/dbraw/zinc/84/57/08/372845708.db2.gz	DWBZWZGCDFIOIO-LLVKDONJSA-N	-1	0	287.300	2.850	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)n1	ZINC000048520486	373196250	/nfs/dbraw/zinc/19/62/50/373196250.db2.gz	SRXQCOANPXRPDP-LLVKDONJSA-N	-1	0	288.376	2.893	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)[nH]n2)n1	ZINC000048520421	373196820	/nfs/dbraw/zinc/19/68/20/373196820.db2.gz	XLMXNEVHUGCBNJ-VIFPVBQESA-N	-1	0	274.349	2.788	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCCC2	ZINC000049418092	373294743	/nfs/dbraw/zinc/29/47/43/373294743.db2.gz	AAIDYWQVQQFXAD-UHFFFAOYSA-N	-1	0	287.406	2.670	20	30		CFEDRM
Cc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)C(C)C)c1C	ZINC000049417378	373295391	/nfs/dbraw/zinc/29/53/91/373295391.db2.gz	NSSDVGPJNHHUPH-UHFFFAOYSA-N	-1	0	294.376	2.828	20	30		CFEDRM
O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513907	373306064	/nfs/dbraw/zinc/30/60/64/373306064.db2.gz	RHNIQWKEIRXHRP-LLVKDONJSA-N	-1	0	289.397	2.565	20	30		CFEDRM
O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513408	373306817	/nfs/dbraw/zinc/30/68/17/373306817.db2.gz	CXJVFPXOBLDJBN-NSHDSACASA-N	-1	0	271.382	2.962	20	30		CFEDRM
N#Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1F	ZINC000051636325	373403257	/nfs/dbraw/zinc/40/32/57/373403257.db2.gz	AWSYKXVNYHABAK-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
N#CCCN(CC1CC1)C(=O)c1ccc([O-])c(Cl)c1	ZINC000088406019	374846117	/nfs/dbraw/zinc/84/61/17/374846117.db2.gz	NZDWEDMOIDOAJT-UHFFFAOYSA-N	-1	0	278.739	2.811	20	30		CFEDRM
CC(C)C[C@H](CNc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000094703407	375374704	/nfs/dbraw/zinc/37/47/04/375374704.db2.gz	ZKPRYPIWGDNPKU-CYBMUJFWSA-N	-1	0	287.363	2.601	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cccc2cccnc21	ZINC000096659680	375491424	/nfs/dbraw/zinc/49/14/24/375491424.db2.gz	UZTNQQVOUXNFFU-UHFFFAOYSA-N	-1	0	262.334	2.553	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(F)F)n2)n1	ZINC000678918863	542092280	/nfs/dbraw/zinc/09/22/80/542092280.db2.gz	HYMNXWYHUJNQBG-SSDOTTSWSA-N	-1	0	282.275	2.533	20	30		CFEDRM
O=C(N=c1cn[n-]s1)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000330203397	378526769	/nfs/dbraw/zinc/52/67/69/378526769.db2.gz	ATUHHOGLKSUSNJ-SNVBAGLBSA-N	-1	0	296.396	2.746	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NCC1(C(=O)[O-])CCOCC1	ZINC000165970185	379046934	/nfs/dbraw/zinc/04/69/34/379046934.db2.gz	SDGNKSMJQSIMIB-UHFFFAOYSA-N	-1	0	294.738	2.505	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1C#N	ZINC000335766022	379854121	/nfs/dbraw/zinc/85/41/21/379854121.db2.gz	DXDCHVACWGBZIP-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)Nc1c(F)cc(Cl)cc1F	ZINC000335203023	380001429	/nfs/dbraw/zinc/00/14/29/380001429.db2.gz	JELBHEBVQWYBEG-ZETCQYMHSA-N	-1	0	294.710	2.662	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCC1	ZINC000335257656	380093950	/nfs/dbraw/zinc/09/39/50/380093950.db2.gz	OOKMBKABGGNBJP-UHFFFAOYSA-N	-1	0	282.702	2.608	20	30		CFEDRM
N#Cc1csc(C(=O)Nc2cc(F)ccc2O)c1	ZINC000176319525	380214639	/nfs/dbraw/zinc/21/46/39/380214639.db2.gz	FQBJNWMANCXGTR-UHFFFAOYSA-N	-1	0	262.265	2.717	20	30		CFEDRM
C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000336265221	380302016	/nfs/dbraw/zinc/30/20/16/380302016.db2.gz	AEUPROZOWYMTSY-PWCHPLFNSA-N	-1	0	268.675	2.673	20	30		CFEDRM
N#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1	ZINC000336589543	380511565	/nfs/dbraw/zinc/51/15/65/380511565.db2.gz	DJNOCBIPJBPXBO-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC000336615903	380554357	/nfs/dbraw/zinc/55/43/57/380554357.db2.gz	RSFIIFPJAVHKLH-SNVBAGLBSA-N	-1	0	267.275	2.851	20	30		CFEDRM
N#Cc1cnccc1/C=C\c1cccc(OCCC(=O)[O-])c1	ZINC000347423057	381142143	/nfs/dbraw/zinc/14/21/43/381142143.db2.gz	GCYJFQBPROJXDA-PLNGDYQASA-N	-1	0	294.310	2.977	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000347453715	381161073	/nfs/dbraw/zinc/16/10/73/381161073.db2.gz	VRYYPZAECUGKSY-DAFODLJHSA-N	-1	0	294.310	2.977	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000185022125	381514857	/nfs/dbraw/zinc/51/48/57/381514857.db2.gz	JNDOVLHYJWGQNG-UHFFFAOYSA-N	-1	0	296.710	2.942	20	30		CFEDRM
C[C@@H](CC(C)(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000359723902	381579803	/nfs/dbraw/zinc/57/98/03/381579803.db2.gz	KCPVCBJSCPTULI-VIFPVBQESA-N	-1	0	274.368	2.591	20	30		CFEDRM
C=C(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1	ZINC000360213658	381772115	/nfs/dbraw/zinc/77/21/15/381772115.db2.gz	QKSCIARFPJGMNJ-UHFFFAOYSA-N	-1	0	298.298	2.744	20	30		CFEDRM
Cc1cc(=NC(=O)C[C@@H](CC#N)c2ccccc2)[n-]nc1C	ZINC000361703433	381857968	/nfs/dbraw/zinc/85/79/68/381857968.db2.gz	SHWDDDTWMRIJGZ-OAHLLOKOSA-N	-1	0	294.358	2.541	20	30		CFEDRM
N#CC(=C([O-])c1coc2cc(F)ccc21)c1ccncn1	ZINC000361791992	381863572	/nfs/dbraw/zinc/86/35/72/381863572.db2.gz	HYLIJUCAPLTYPF-LLVKDONJSA-N	-1	0	281.246	2.852	20	30		CFEDRM
N#Cc1cncc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1	ZINC000357069061	381995774	/nfs/dbraw/zinc/99/57/74/381995774.db2.gz	GRIARGQEMNBCBL-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
CCOC(=O)c1coc(=N[C@H](CCC#N)c2ccccc2)[n-]1	ZINC000418886711	382186304	/nfs/dbraw/zinc/18/63/04/382186304.db2.gz	LLZHTMUBRCNRKW-CYBMUJFWSA-N	-1	0	299.330	2.730	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(C(F)F)o2)cc1	ZINC000346068901	382330897	/nfs/dbraw/zinc/33/08/97/382330897.db2.gz	JKGXYKHEMGMHMG-UHFFFAOYSA-N	-1	0	281.262	2.606	20	30		CFEDRM
CC(C)(C#N)CC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000365979759	382467018	/nfs/dbraw/zinc/46/70/18/382467018.db2.gz	YWPMDBQGFIYULH-UHFFFAOYSA-N	-1	0	292.389	2.567	20	30		CFEDRM
Cc1cccc(O)c1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188839292	382488722	/nfs/dbraw/zinc/48/87/22/382488722.db2.gz	IRCAXTICJMYJMW-UHFFFAOYSA-N	-1	0	268.272	2.530	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1	ZINC000353075081	382490495	/nfs/dbraw/zinc/49/04/95/382490495.db2.gz	COTGZEHTRLRMJU-GFCCVEGCSA-N	-1	0	298.371	2.700	20	30		CFEDRM
C=CC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccccc1	ZINC000188879941	382498023	/nfs/dbraw/zinc/49/80/23/382498023.db2.gz	ZRYZKTDJHZDWPL-CABCVRRESA-N	-1	0	275.348	2.921	20	30		CFEDRM
C[C@H](CCC1CC1)NC(=O)c1cc(F)cc2n[nH]nc21	ZINC000328663951	382561767	/nfs/dbraw/zinc/56/17/67/382561767.db2.gz	YFWKXDLWOPKTGB-MRVPVSSYSA-N	-1	0	276.315	2.980	20	30		CFEDRM
N#CC(=C([O-])c1cc2occc2s1)c1ccncn1	ZINC000680617218	542342707	/nfs/dbraw/zinc/34/27/07/542342707.db2.gz	IRZHYIIATUGXSN-QMMMGPOBSA-N	-1	0	269.285	2.774	20	30		CFEDRM
N#CC(=C([O-])c1ccoc1)c1cnc2ccccc2n1	ZINC000190968388	382686907	/nfs/dbraw/zinc/68/69/07/382686907.db2.gz	SROHFMPTEILZPN-LLVKDONJSA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000190549046	382673050	/nfs/dbraw/zinc/67/30/50/382673050.db2.gz	BJHJRKYXLPSTSB-HIFRSBDPSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)CC	ZINC000398205039	382635463	/nfs/dbraw/zinc/63/54/63/382635463.db2.gz	GXBGMAZKMUFQSS-NEPJUHHUSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCC1	ZINC000190963275	382686446	/nfs/dbraw/zinc/68/64/46/382686446.db2.gz	QNNSRYOSEGLDRE-UHFFFAOYSA-N	-1	0	299.330	2.715	20	30		CFEDRM
C=C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000192415807	382708675	/nfs/dbraw/zinc/70/86/75/382708675.db2.gz	ZYYIZBMGAWINRQ-CYBMUJFWSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000192903883	382713487	/nfs/dbraw/zinc/71/34/87/382713487.db2.gz	LPMRUHFNBLQOHB-NSHDSACASA-N	-1	0	255.358	2.596	20	30		CFEDRM
N#CC(=C([O-])c1cccnc1)c1nc2ccccc2o1	ZINC000193280781	382717928	/nfs/dbraw/zinc/71/79/28/382717928.db2.gz	USTHEKSXOZMVTJ-LLVKDONJSA-N	-1	0	263.256	2.713	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nc2ccccc2o1	ZINC000193546427	382720905	/nfs/dbraw/zinc/72/09/05/382720905.db2.gz	LIYIXWAQEBXRLX-GFCCVEGCSA-N	-1	0	288.266	2.585	20	30		CFEDRM
C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C(=O)[O-]	ZINC000575180768	382730320	/nfs/dbraw/zinc/73/03/20/382730320.db2.gz	BJLBTLKOFQJNLY-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C#CCCCCNC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000229715846	382853236	/nfs/dbraw/zinc/85/32/36/382853236.db2.gz	CAWUSKAVYNZTKT-UHFFFAOYSA-N	-1	0	279.380	2.721	20	30		CFEDRM
Cc1c(C#N)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000338180689	382944855	/nfs/dbraw/zinc/94/48/55/382944855.db2.gz	LRSXBGRURVCJMT-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(C)c(OCC)c1)C(=O)[O-]	ZINC000448998664	383126393	/nfs/dbraw/zinc/12/63/93/383126393.db2.gz	XDKKFCJOEUQIGZ-CYBMUJFWSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCN(c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1	ZINC000566291113	383186396	/nfs/dbraw/zinc/18/63/96/383186396.db2.gz	GCEGSRXOXURMNT-UHFFFAOYSA-N	-1	0	276.292	2.756	20	30		CFEDRM
CC(=O)c1ccc(C#N)c(NC[C@H](CC(C)C)C(=O)[O-])c1	ZINC000424371707	383205056	/nfs/dbraw/zinc/20/50/56/383205056.db2.gz	GGGJLINRGYTFBJ-AWEZNQCLSA-N	-1	0	288.347	2.920	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N([C@H](CC)C(=O)[O-])C1CC1	ZINC000555843541	383148955	/nfs/dbraw/zinc/14/89/55/383148955.db2.gz	LIVAAPMRLDXXOA-WCQYABFASA-N	-1	0	282.384	2.768	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N(CC)CC(=O)[O-])c1	ZINC000563922260	383168587	/nfs/dbraw/zinc/16/85/87/383168587.db2.gz	ZABXHJHSYWVVMA-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=CCN(C)C(=O)[C@@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634914541	383402142	/nfs/dbraw/zinc/40/21/42/383402142.db2.gz	XGTMBYHFFHRULY-KRWDZBQOSA-N	-1	0	289.375	2.762	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634927567	383407267	/nfs/dbraw/zinc/40/72/67/383407267.db2.gz	SQSGOXIZDQTOIT-QPSCCSFWSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634931602	383409635	/nfs/dbraw/zinc/40/96/35/383409635.db2.gz	GXJZNNMMRMEKTM-OWCLPIDISA-N	-1	0	299.370	2.955	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cc(C)ccc1C)C(=O)[O-]	ZINC000634784556	383357158	/nfs/dbraw/zinc/35/71/58/383357158.db2.gz	RAUGIRIXFMRLBD-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=C(C)CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1	ZINC000634941048	383413261	/nfs/dbraw/zinc/41/32/61/383413261.db2.gz	UCBLJKQWFTZZSB-HNNXBMFYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634941398	383413457	/nfs/dbraw/zinc/41/34/57/383413457.db2.gz	BFUJJMFNGBIYAA-ZIAGYGMSSA-N	-1	0	275.348	2.716	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000568155537	383362682	/nfs/dbraw/zinc/36/26/82/383362682.db2.gz	YAUYTYBVTLJJST-VIFPVBQESA-N	-1	0	274.301	2.737	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634941956	383414503	/nfs/dbraw/zinc/41/45/03/383414503.db2.gz	QDYYJVJNRYOPKT-DOMZBBRYSA-N	-1	0	295.404	2.951	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634854322	383383069	/nfs/dbraw/zinc/38/30/69/383383069.db2.gz	WUFHPIFRTPGWGJ-OLZOCXBDSA-N	-1	0	293.388	2.764	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634864781	383386102	/nfs/dbraw/zinc/38/61/02/383386102.db2.gz	VTVAUEOIMPMPLG-HOTGVXAUSA-N	-1	0	299.370	2.868	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000634947783	383417435	/nfs/dbraw/zinc/41/74/35/383417435.db2.gz	XPCGGCCUMDDFLZ-CHWSQXEVSA-N	-1	0	279.380	2.762	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634946963	383417773	/nfs/dbraw/zinc/41/77/73/383417773.db2.gz	DZAYJAIGPSJAIS-OAHLLOKOSA-N	-1	0	269.385	2.986	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C#N)s2)n1	ZINC000429351069	383521330	/nfs/dbraw/zinc/52/13/30/383521330.db2.gz	RVGOBGDZSVGCPX-VIFPVBQESA-N	-1	0	273.342	2.875	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000429348470	383521620	/nfs/dbraw/zinc/52/16/20/383521620.db2.gz	WTBLJTBYSHSABV-GFCCVEGCSA-N	-1	0	269.304	2.793	20	30		CFEDRM
CC(C)CN=c1[n-]nc(S[C@@H]2CC[C@@H](C#N)C2)s1	ZINC000430137496	383589320	/nfs/dbraw/zinc/58/93/20/383589320.db2.gz	YUJBWXCLEGRYRW-NXEZZACHSA-N	-1	0	282.438	2.812	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3ccccc32)C1	ZINC000263166960	383655681	/nfs/dbraw/zinc/65/56/81/383655681.db2.gz	IZKRJHMZYWUFBF-NWDGAFQWSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2ccoc2)n1	ZINC000434615604	383769834	/nfs/dbraw/zinc/76/98/34/383769834.db2.gz	MZJDBXKZGWQZET-JTQLQIEISA-N	-1	0	298.327	2.925	20	30		CFEDRM
C=CCCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000278410201	384562870	/nfs/dbraw/zinc/56/28/70/384562870.db2.gz	YQAMLZRDWAWJGV-UHFFFAOYSA-N	-1	0	257.692	2.833	20	30		CFEDRM
CSc1nc(=NC(=O)N2CC[C@H]3CCC[C@H]32)s[n-]1	ZINC000330247282	533089816	/nfs/dbraw/zinc/08/98/16/533089816.db2.gz	LPQZHEIYBQGGRM-HTQZYQBOSA-N	-1	0	284.410	2.680	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(F)cc1O)OCC	ZINC000270297339	385046509	/nfs/dbraw/zinc/04/65/09/385046509.db2.gz	BLFOSLUNHRNWPL-CYBMUJFWSA-N	-1	0	267.300	2.841	20	30		CFEDRM
CC(C)(C)n1cc(C#N)c(NC(=O)c2cc(C3CC3)no2)n1	ZINC000282451619	385314611	/nfs/dbraw/zinc/31/46/11/385314611.db2.gz	SKTLGFOSSFSJRZ-UHFFFAOYSA-N	-1	0	299.334	2.627	20	30		CFEDRM
C#C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C(C)(C)C	ZINC000288273219	197040363	/nfs/dbraw/zinc/04/03/63/197040363.db2.gz	PZDDFGHGRJKPFB-GFCCVEGCSA-N	-1	0	265.740	2.823	20	30		CFEDRM
CCn1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1	ZINC000521042242	260036936	/nfs/dbraw/zinc/03/69/36/260036936.db2.gz	AVXOPWHZLAYITF-JTQLQIEISA-N	-1	0	288.376	2.973	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nccc2ccccc21	ZINC000682994240	542623423	/nfs/dbraw/zinc/62/34/23/542623423.db2.gz	GSAYDDCEJFCXJI-LBPRGKRZSA-N	-1	0	263.256	2.713	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000263314495	131289422	/nfs/dbraw/zinc/28/94/22/131289422.db2.gz	YMKOOMJDZCJZOR-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
Cc1cccc2[nH]c(C(C#N)=C([O-])c3nccs3)nc21	ZINC000683689724	542709374	/nfs/dbraw/zinc/70/93/74/542709374.db2.gz	KHMGJASKZPTAET-SECBINFHSA-N	-1	0	282.328	2.818	20	30		CFEDRM
CC(C)(CC#N)CN=c1nc(-c2ccccc2)o[n-]1	ZINC000413402654	393782267	/nfs/dbraw/zinc/78/22/67/393782267.db2.gz	GJRIFNRRZOOCQR-UHFFFAOYSA-N	-1	0	256.309	2.510	20	30		CFEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(C2CC2)o1	ZINC000413589838	393786131	/nfs/dbraw/zinc/78/61/31/393786131.db2.gz	ZDOQAJIZVRHPAX-CQSZACIVSA-N	-1	0	269.348	2.968	20	30		CFEDRM
C=CCCCCN=c1[n-]nc(C2CCOCC2)s1	ZINC000338701417	393796332	/nfs/dbraw/zinc/79/63/32/393796332.db2.gz	WEIODRCBKWZIEG-UHFFFAOYSA-N	-1	0	267.398	2.622	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-]	ZINC000684733109	542848911	/nfs/dbraw/zinc/84/89/11/542848911.db2.gz	MEMJPGTYCODWMZ-CHWSQXEVSA-N	-1	0	284.400	2.872	20	30		CFEDRM
C=CCn1c(=O)[nH]nc1SC[C@H]1CCc2ccccc21	ZINC000355449325	394065975	/nfs/dbraw/zinc/06/59/75/394065975.db2.gz	PACNKKIFFVWJBB-GFCCVEGCSA-N	-1	0	287.388	2.992	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1ccc2ccccc2n1	ZINC000685783442	542944181	/nfs/dbraw/zinc/94/41/81/542944181.db2.gz	WBSLHBISMDMUNP-CQSZACIVSA-N	-1	0	298.305	2.992	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378923	395320606	/nfs/dbraw/zinc/32/06/06/395320606.db2.gz	NJKRUYQYPJAYOU-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
N#CC(=C([O-])c1cc2n(n1)CCC2)c1nc(C2CC2)cs1	ZINC000647380149	395320787	/nfs/dbraw/zinc/32/07/87/395320787.db2.gz	OYUCBUJDOMWHSK-LLVKDONJSA-N	-1	0	298.371	2.653	20	30		CFEDRM
C=CC1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1	ZINC000647450454	395334735	/nfs/dbraw/zinc/33/47/35/395334735.db2.gz	PVNZFRZHIQZUNC-UHFFFAOYSA-N	-1	0	266.728	2.836	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000649264081	395464195	/nfs/dbraw/zinc/46/41/95/395464195.db2.gz	RKBDQBMRLMKNHY-CHWSQXEVSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCCCCCNC(=O)CC1(CC(=O)[O-])CCC1	ZINC000653473686	413315847	/nfs/dbraw/zinc/31/58/47/413315847.db2.gz	JTKGWKRAPGBYHS-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=CCCCCCNC(=O)N(CCC)[C@@H](C)C(=O)[O-]	ZINC000653531042	413349817	/nfs/dbraw/zinc/34/98/17/413349817.db2.gz	WLJOAPPBOUCHHO-LBPRGKRZSA-N	-1	0	270.373	2.628	20	30		CFEDRM
CC(C)(C)Cc1n[n-]c(=NCc2ccc(C#N)cc2F)o1	ZINC000347894022	162796956	/nfs/dbraw/zinc/79/69/56/162796956.db2.gz	MVCMVKKEHFEBKZ-UHFFFAOYSA-N	-1	0	288.326	2.703	20	30		CFEDRM
C=CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1	ZINC000026469582	171486083	/nfs/dbraw/zinc/48/60/83/171486083.db2.gz	WNTWWQXHGIVAGR-UHFFFAOYSA-N	-1	0	289.360	2.616	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-]	ZINC000652079501	413816441	/nfs/dbraw/zinc/81/64/41/413816441.db2.gz	HBLIYNOECOHJDF-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCC1	ZINC000659166988	414460091	/nfs/dbraw/zinc/46/00/91/414460091.db2.gz	ZVSLQIGSKVRXJH-STQMWFEESA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])co1	ZINC000659165894	414460152	/nfs/dbraw/zinc/46/01/52/414460152.db2.gz	BBTBHEDVALMFPN-PWSUYJOCSA-N	-1	0	277.320	2.843	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000659165932	414460767	/nfs/dbraw/zinc/46/07/67/414460767.db2.gz	CFJWGAZEWLBQHK-DGCLKSJQSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1	ZINC000659170168	414461370	/nfs/dbraw/zinc/46/13/70/414461370.db2.gz	QNQHYUHJMFGCJK-HZSPNIEDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCCC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21	ZINC000659184464	414464640	/nfs/dbraw/zinc/46/46/40/414464640.db2.gz	LJOHEKPICIDBMP-AWEZNQCLSA-N	-1	0	287.359	2.887	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000659227842	414474845	/nfs/dbraw/zinc/47/48/45/414474845.db2.gz	FFNNBLAKNCGHPT-XDQVBPFNSA-N	-1	0	277.364	2.587	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659408648	414516818	/nfs/dbraw/zinc/51/68/18/414516818.db2.gz	UWDCVQIEHMHJMV-OLZOCXBDSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCCCCCN(C)C(=O)NCC1(C(=O)[O-])CCC1	ZINC000659419714	414517847	/nfs/dbraw/zinc/51/78/47/414517847.db2.gz	CCMBLDLIJOXSBP-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000659409807	414518007	/nfs/dbraw/zinc/51/80/07/414518007.db2.gz	UETFURRSVMMSGJ-LBPRGKRZSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000656486326	414591200	/nfs/dbraw/zinc/59/12/00/414591200.db2.gz	JCHMBWUUZOHXOV-HNNXBMFYSA-N	-1	0	295.766	2.765	20	30		CFEDRM
C=CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000656588288	414611436	/nfs/dbraw/zinc/61/14/36/414611436.db2.gz	IMINUYQAUGSTGE-KBPBESRZSA-N	-1	0	288.347	2.562	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc([O-])c(Cl)c1	ZINC000042448244	174741793	/nfs/dbraw/zinc/74/17/93/174741793.db2.gz	BSOBSGBDGGLAMX-VIFPVBQESA-N	-1	0	266.728	2.667	20	30		CFEDRM
N#CCc1ccccc1S(=O)(=O)[N-]c1ccsc1	ZINC000334613960	225094112	/nfs/dbraw/zinc/09/41/12/225094112.db2.gz	RYJKRTIPXCVFQQ-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c[nH]nc2C(C)(C)C)n1	ZINC000344634760	225110110	/nfs/dbraw/zinc/11/01/10/225110110.db2.gz	MRIVEHZIQJTGAR-SECBINFHSA-N	-1	0	288.376	2.962	20	30		CFEDRM
N#CC(=C([O-])c1ccc2ccccc2n1)c1ccncn1	ZINC000354465859	227004100	/nfs/dbraw/zinc/00/41/00/227004100.db2.gz	IODVQIAPYAKSBK-GFCCVEGCSA-N	-1	0	274.283	2.515	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)C)cc1Cl	ZINC000080298421	260179978	/nfs/dbraw/zinc/17/99/78/260179978.db2.gz	LDDQQMPAEGHVRG-UHFFFAOYSA-N	-1	0	275.757	2.950	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H]2CCCCO2)c1[O-]	ZINC000049212539	260203911	/nfs/dbraw/zinc/20/39/11/260203911.db2.gz	VINMKVYCAFJNEA-LBMJDHPKSA-N	-1	0	298.726	2.942	20	30		CFEDRM
CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](C)C#N)c1O	ZINC000050144449	260206559	/nfs/dbraw/zinc/20/65/59/260206559.db2.gz	IWLIMNIUOQTHAM-VIFPVBQESA-N	-1	0	280.755	2.840	20	30		CFEDRM
C[C@H](CC#N)NC(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000073172785	260281147	/nfs/dbraw/zinc/28/11/47/260281147.db2.gz	MPMATGNCYGGGCJ-SSDOTTSWSA-N	-1	0	261.306	2.522	20	30		CFEDRM
CO[C@@]1(C)C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000080714881	260318562	/nfs/dbraw/zinc/31/85/62/260318562.db2.gz	HPKADPVALUCVDY-BBMVZGOISA-N	-1	0	292.335	2.923	20	30		CFEDRM
CC(C)(C#N)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1	ZINC000155778458	261107519	/nfs/dbraw/zinc/10/75/19/261107519.db2.gz	TUTIVEWGYWOUAT-UHFFFAOYSA-N	-1	0	286.253	2.803	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1nc2ccccc2[nH]1	ZINC000103329246	261280225	/nfs/dbraw/zinc/28/02/25/261280225.db2.gz	RIZIZJOHXQQPGG-MRVPVSSYSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCCCCF)s1	ZINC000336659705	261535824	/nfs/dbraw/zinc/53/58/24/261535824.db2.gz	CGAPDSSHTPVITE-UHFFFAOYSA-N	-1	0	261.391	2.790	20	30		CFEDRM
CC[C@@H](CC#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000192485578	262203813	/nfs/dbraw/zinc/20/38/13/262203813.db2.gz	SLXQPRSHUCBZEZ-QMMMGPOBSA-N	-1	0	270.691	2.607	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCC1CCC(F)(F)CC1	ZINC000412995818	262750935	/nfs/dbraw/zinc/75/09/35/262750935.db2.gz	SMIKGPXZPXMLBR-UHFFFAOYSA-N	-1	0	288.367	2.794	20	30		CFEDRM
CC(C)(C#N)CCO[N-]C(=O)C(C)(C)c1ccccc1	ZINC000272098218	263002273	/nfs/dbraw/zinc/00/22/73/263002273.db2.gz	MDVFRDLUPZUAQZ-UHFFFAOYSA-N	-1	0	274.364	2.952	20	30		CFEDRM
O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)F	ZINC000280271933	263060056	/nfs/dbraw/zinc/06/00/56/263060056.db2.gz	ONWSNTXRHXTHLM-ZETCQYMHSA-N	-1	0	289.150	2.950	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N=c1[n-]nc(CC(C)C)s1	ZINC000341485848	263339263	/nfs/dbraw/zinc/33/92/63/263339263.db2.gz	WEDMTGRGGZYVCQ-JTQLQIEISA-N	-1	0	282.413	2.635	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@H](C)[C@@H](C)CC)s[n-]1	ZINC000330871901	264059608	/nfs/dbraw/zinc/05/96/08/264059608.db2.gz	YBFYACLQPGRUFL-DTWKUNHWSA-N	-1	0	270.402	2.673	20	30		CFEDRM
Cc1cccc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c1O	ZINC000331227248	264150507	/nfs/dbraw/zinc/15/05/07/264150507.db2.gz	DLPVLNJRLNOSRK-NEPJUHHUSA-N	-1	0	263.337	2.963	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000331269677	264168680	/nfs/dbraw/zinc/16/86/80/264168680.db2.gz	UBNDHWFGNPYAQF-SECBINFHSA-N	-1	0	282.413	2.938	20	30		CFEDRM
CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)O	ZINC000331237604	264175196	/nfs/dbraw/zinc/17/51/96/264175196.db2.gz	MPEPNOZJCKTEHO-LBPRGKRZSA-N	-1	0	287.306	2.771	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ncccc2CC#N)c1	ZINC001243177831	782038074	/nfs/dbraw/zinc/03/80/74/782038074.db2.gz	OANWQAKRIZGEBQ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C=CCN(C(=O)N=c1ccc(-c2ccccc2)n[n-]1)C1CC1	ZINC000357689742	266347618	/nfs/dbraw/zinc/34/76/18/266347618.db2.gz	OGBACVUCGCIUHR-UHFFFAOYSA-N	-1	0	294.358	2.748	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)s1)c1nc2ccccc2[nH]1	ZINC000429340027	268207298	/nfs/dbraw/zinc/20/72/98/268207298.db2.gz	SZSWDNGAAGGZBA-JTQLQIEISA-N	-1	0	292.323	2.986	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc2ccccc2[nH]1	ZINC000429672060	268207312	/nfs/dbraw/zinc/20/73/12/268207312.db2.gz	BYEVHOAVAQIKHR-SNVBAGLBSA-N	-1	0	276.255	2.518	20	30		CFEDRM
CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000230333576	270260114	/nfs/dbraw/zinc/26/01/14/270260114.db2.gz	SFWMMVPAUVVRRC-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@H](CC(=O)[O-])C1	ZINC000563517393	290157122	/nfs/dbraw/zinc/15/71/22/290157122.db2.gz	HKJQBNMTXSQLKL-SNVBAGLBSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C[C@H]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C(=O)[O-]	ZINC000564085053	290192014	/nfs/dbraw/zinc/19/20/14/290192014.db2.gz	SGRVWBOHIKDPHA-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cccc(CC#N)n1	ZINC001243200921	782060533	/nfs/dbraw/zinc/06/05/33/782060533.db2.gz	PUVSZQOTWMBCBP-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(Cl)ccc2C#N)C1	ZINC000263137756	297216440	/nfs/dbraw/zinc/21/64/40/297216440.db2.gz	GLSHPQDVBMUKND-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1nc2c(cc1C#N)COCC2	ZINC001243203560	782063543	/nfs/dbraw/zinc/06/35/43/782063543.db2.gz	WFPSLXXJEOLBDO-UHFFFAOYSA-N	-1	0	294.310	2.700	20	30		CFEDRM
COc1ccnc(-c2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001243210684	782070219	/nfs/dbraw/zinc/07/02/19/782070219.db2.gz	MRGADQJUTACULH-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(-c2ncc(C#N)cc2C)ccc1C(=O)[O-]	ZINC001243210201	782071057	/nfs/dbraw/zinc/07/10/57/782071057.db2.gz	BDFRLRJQYKVAMT-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2cccnc2CC#N)ccc1C(=O)[O-]	ZINC001243216658	782077845	/nfs/dbraw/zinc/07/78/45/782077845.db2.gz	JUYZYTFASXITQF-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C=CCn1c(CCCC)n[n-]c1=Nc1cccc(OC)c1	ZINC000571603299	328136767	/nfs/dbraw/zinc/13/67/67/328136767.db2.gz	HSQIWXOQHVYIGC-UHFFFAOYSA-N	-1	0	286.379	2.981	20	30		CFEDRM
Cc1cccc(S(=O)(=O)Nc2ccc(C#N)cc2F)c1	ZINC000165826007	322385664	/nfs/dbraw/zinc/38/56/64/322385664.db2.gz	ACCPUHSVVYKDPL-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CCc1ncc(C([O-])=C(C#N)c2nc(C)cs2)s1	ZINC000049155607	328350564	/nfs/dbraw/zinc/35/05/64/328350564.db2.gz	QLZOSSKQMSQHPT-QMMMGPOBSA-N	-1	0	277.374	2.961	20	30		CFEDRM
CCOc1ccc(C=CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418125	328361567	/nfs/dbraw/zinc/36/15/67/328361567.db2.gz	KASVGKQBFSGDOI-JXMROGBWSA-N	-1	0	297.376	2.793	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000556708146	326959226	/nfs/dbraw/zinc/95/92/26/326959226.db2.gz	HAQBMPPWUKFTHF-KGLIPLIRSA-N	-1	0	290.363	2.808	20	30		CFEDRM
CC(C)c1nc(=NCc2ccc(CC#N)cc2)s[n-]1	ZINC000569571995	327199959	/nfs/dbraw/zinc/19/99/59/327199959.db2.gz	SUDHAHGSUIZBHX-UHFFFAOYSA-N	-1	0	272.377	2.762	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000559989921	327275857	/nfs/dbraw/zinc/27/58/57/327275857.db2.gz	YCWFFJKYLGJJSN-SNVBAGLBSA-N	-1	0	293.282	2.849	20	30		CFEDRM
N#C[C@@H](CO)Cc1cccc(-c2ccccc2C(=O)[O-])c1	ZINC000582124708	327304639	/nfs/dbraw/zinc/30/46/39/327304639.db2.gz	PNWSZIUIFQDPIX-ZDUSSCGKSA-N	-1	0	281.311	2.726	20	30		CFEDRM
C=CCCCCSc1n[n-]c(=NC[C@@H]2CCCO2)s1	ZINC000562700241	327505668	/nfs/dbraw/zinc/50/56/68/327505668.db2.gz	MTBSPPNTNVPURP-NSHDSACASA-N	-1	0	299.465	2.999	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000398061421	329432382	/nfs/dbraw/zinc/43/23/82/329432382.db2.gz	CJZWINLHFQFCIB-GXTWGEPZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C#CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1	ZINC000262591539	330022462	/nfs/dbraw/zinc/02/24/62/330022462.db2.gz	UZGDSHIGOUBRGX-KGLIPLIRSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C#CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1	ZINC000262591541	330022489	/nfs/dbraw/zinc/02/24/89/330022489.db2.gz	UZGDSHIGOUBRGX-ZIAGYGMSSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=C[C@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1	ZINC000262758152	330029764	/nfs/dbraw/zinc/02/97/64/330029764.db2.gz	KAXKEXZVHNVMJH-CYBMUJFWSA-N	-1	0	287.359	2.860	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)c1ccc(C)cc1)C(=O)[O-]	ZINC000262837278	330034999	/nfs/dbraw/zinc/03/49/99/330034999.db2.gz	GMKYPBADRDBULH-AWEZNQCLSA-N	-1	0	289.375	2.808	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C(=O)[O-]	ZINC000262887232	330036298	/nfs/dbraw/zinc/03/62/98/330036298.db2.gz	LDVJGUHGLKDSOL-LSDHHAIUSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000262927440	330037093	/nfs/dbraw/zinc/03/70/93/330037093.db2.gz	OPEWQAHREDCPHM-HNNXBMFYSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)C(=O)[O-]	ZINC000262938199	330037287	/nfs/dbraw/zinc/03/72/87/330037287.db2.gz	PPZGPALWNHOPPU-UTUOFQBUSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(C)CCCCCC1)C(=O)[O-]	ZINC000262935707	330037318	/nfs/dbraw/zinc/03/73/18/330037318.db2.gz	PJLOPDGQSNQVLD-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000262987535	330038151	/nfs/dbraw/zinc/03/81/51/330038151.db2.gz	LCXRJPNFUBZLPV-PWSUYJOCSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)C1CCCC1)C(=O)[O-]	ZINC000262995126	330038196	/nfs/dbraw/zinc/03/81/96/330038196.db2.gz	VSDVEZKIYRXKJQ-LBPRGKRZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)NCCCC(=O)[O-])c1ccccc1	ZINC000263208238	330049314	/nfs/dbraw/zinc/04/93/14/330049314.db2.gz	ILBSEHOSQLRHNF-CQSZACIVSA-N	-1	0	290.363	2.858	20	30		CFEDRM
C=CCN(Cc1cccc(C(=O)[O-])c1)CC(F)(F)F	ZINC000263377868	330053355	/nfs/dbraw/zinc/05/33/55/330053355.db2.gz	CHOBZNMGFRJLOA-UHFFFAOYSA-N	-1	0	273.254	2.935	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)N(C)CCC(=O)[O-])c1	ZINC000263452939	330056490	/nfs/dbraw/zinc/05/64/90/330056490.db2.gz	BEQASVJRSCLLNK-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000263554824	330059325	/nfs/dbraw/zinc/05/93/25/330059325.db2.gz	YHUQJXXYWWFUJS-JOYOIKCWSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)[O-]	ZINC000263547003	330059466	/nfs/dbraw/zinc/05/94/66/330059466.db2.gz	UNCTXFMMWOWMOH-GFCCVEGCSA-N	-1	0	279.336	2.861	20	30		CFEDRM
C[C@@H](C#N)CNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000080032461	330325581	/nfs/dbraw/zinc/32/55/81/330325581.db2.gz	NNYUFDAWPDIRGT-LURJTMIESA-N	-1	0	273.119	2.588	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000312327574	330462522	/nfs/dbraw/zinc/46/25/22/330462522.db2.gz	HPKAXMAKAJRUBI-GFCCVEGCSA-N	-1	0	284.400	2.635	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(-c3ccccc3Cl)s2)CC1	ZINC000516230081	330489856	/nfs/dbraw/zinc/48/98/56/330489856.db2.gz	CYZBNGJWZCSYRU-UHFFFAOYSA-N	-1	0	290.779	2.996	20	30		CFEDRM
C=CCC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000432286691	330596879	/nfs/dbraw/zinc/59/68/79/330596879.db2.gz	RHFSLPHMEOMJJD-UHFFFAOYSA-N	-1	0	289.347	2.845	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000448987534	330890260	/nfs/dbraw/zinc/89/02/60/330890260.db2.gz	BPFSATLEZBJZTO-MWLCHTKSSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CCC1(CN=c2[n-]nc(COC)s2)CCCC1	ZINC000450845913	331002414	/nfs/dbraw/zinc/00/24/14/331002414.db2.gz	OJAINHXTSVXSGT-UHFFFAOYSA-N	-1	0	267.398	2.655	20	30		CFEDRM
C=CCC[C@H](C(=O)N=c1cccn[n-]1)c1ccccc1	ZINC000489042687	332038926	/nfs/dbraw/zinc/03/89/26/332038926.db2.gz	PPHBGIBHHYTGJI-AWEZNQCLSA-N	-1	0	267.332	2.587	20	30		CFEDRM
C#CCN(CC)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000491706120	332299203	/nfs/dbraw/zinc/29/92/03/332299203.db2.gz	DIDMEQXBMWWNHZ-UHFFFAOYSA-N	-1	0	271.238	2.506	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccnc2C)n1	ZINC000178316019	333070858	/nfs/dbraw/zinc/07/08/58/333070858.db2.gz	UMWUTZNPXWEDGH-LLVKDONJSA-N	-1	0	257.318	2.645	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cnc(C3CC3)s2)nc(C)n1	ZINC000521554151	333178454	/nfs/dbraw/zinc/17/84/54/333178454.db2.gz	PNRVKGSTQBKWEL-LLVKDONJSA-N	-1	0	298.371	2.917	20	30		CFEDRM
C#CCN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000191102022	333215240	/nfs/dbraw/zinc/21/52/40/333215240.db2.gz	MSMQKPDURLZMGT-UHFFFAOYSA-N	-1	0	273.719	2.904	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C\c1ccc(C)cc1)C(=O)[O-]	ZINC000316356054	333388856	/nfs/dbraw/zinc/38/88/56/333388856.db2.gz	PGXDSEMBQGOEAS-IWMPZKFUSA-N	-1	0	273.332	2.544	20	30		CFEDRM
N#CC(=C([O-])c1occc1Br)c1ccccn1	ZINC000083764340	334266304	/nfs/dbraw/zinc/26/63/04/334266304.db2.gz	PMGVECUKNYDULI-MRVPVSSYSA-N	-1	0	291.104	2.927	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000263506932	334605074	/nfs/dbraw/zinc/60/50/74/334605074.db2.gz	BJICZFVMRLCMFF-JTQLQIEISA-N	-1	0	276.336	2.563	20	30		CFEDRM
Cc1noc(C2CC2)c1[N-]S(=O)(=O)CCC(C)(C)C#N	ZINC000581196546	336023023	/nfs/dbraw/zinc/02/30/23/336023023.db2.gz	XMRMIEOKLWSZIN-UHFFFAOYSA-N	-1	0	297.380	2.542	20	30		CFEDRM
C=CCC(C)(C)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000383813654	336118235	/nfs/dbraw/zinc/11/82/35/336118235.db2.gz	FTRASNTVDKOIKL-UHFFFAOYSA-N	-1	0	279.296	2.702	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000581886742	336159946	/nfs/dbraw/zinc/15/99/46/336159946.db2.gz	QOWHKHZPFWYUGS-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
N#Cc1cc(-c2ccc([O-])c(F)c2F)nc(C2CC2)n1	ZINC001243340420	782144562	/nfs/dbraw/zinc/14/45/62/782144562.db2.gz	XJMMJPPIEKOMOV-UHFFFAOYSA-N	-1	0	273.242	2.876	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc([O-])c(F)c1F	ZINC001243343998	782148946	/nfs/dbraw/zinc/14/89/46/782148946.db2.gz	VIPPEYBTJBMTOS-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000262818477	534561298	/nfs/dbraw/zinc/56/12/98/534561298.db2.gz	BMHISWUMOJCWOF-INIZCTEOSA-N	-1	0	279.380	2.714	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000262059657	534564153	/nfs/dbraw/zinc/56/41/53/534564153.db2.gz	BMBZQFYLARBOPR-INIZCTEOSA-N	-1	0	299.370	2.793	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000237984235	534568459	/nfs/dbraw/zinc/56/84/59/534568459.db2.gz	MTCSARALPSHNLG-HNNXBMFYSA-N	-1	0	287.359	2.567	20	30		CFEDRM
C=CCC1(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)CCC1	ZINC000263545220	534586951	/nfs/dbraw/zinc/58/69/51/534586951.db2.gz	SXKSBOSPLNTEHU-MRXNPFEDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000263532619	534595031	/nfs/dbraw/zinc/59/50/31/534595031.db2.gz	NFBQHNKMJKVHLT-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262195558	534782455	/nfs/dbraw/zinc/78/24/55/534782455.db2.gz	ZIERCTWLSRTSPO-MGPQQGTHSA-N	-1	0	297.395	2.507	20	30		CFEDRM
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)ccc1F	ZINC000230339596	525287734	/nfs/dbraw/zinc/28/77/34/525287734.db2.gz	JSXJEDKWUAMTPE-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl	ZINC000340798363	525298322	/nfs/dbraw/zinc/29/83/22/525298322.db2.gz	ZGCCRCCCNSSIGQ-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000347583185	534849813	/nfs/dbraw/zinc/84/98/13/534849813.db2.gz	UMMUQISADYNMLU-VIFPVBQESA-N	-1	0	294.236	2.622	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)N=c1cc(C)c(C)n[n-]1	ZINC000343546585	526353426	/nfs/dbraw/zinc/35/34/26/526353426.db2.gz	LMYIDIXDNOVRJQ-UHFFFAOYSA-N	-1	0	296.374	2.735	20	30		CFEDRM
N#Cc1c[nH]c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1	ZINC000336416700	526535955	/nfs/dbraw/zinc/53/59/55/526535955.db2.gz	OTGVZHMRFMNJMK-UHFFFAOYSA-N	-1	0	279.658	2.637	20	30		CFEDRM
Cc1noc(C)c1[N-]C(=O)c1c(F)cc(C#N)cc1F	ZINC000336177066	526545685	/nfs/dbraw/zinc/54/56/85/526545685.db2.gz	XPRIBYKZXUPIPZ-UHFFFAOYSA-N	-1	0	277.230	2.694	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])[nH]1	ZINC000336061652	526601280	/nfs/dbraw/zinc/60/12/80/526601280.db2.gz	ZEFFUMBHMVSYMM-UHFFFAOYSA-N	-1	0	279.658	2.637	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000062785063	526634250	/nfs/dbraw/zinc/63/42/50/526634250.db2.gz	CYYZIABXAMBKQV-SNVBAGLBSA-N	-1	0	278.739	2.903	20	30		CFEDRM
N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccoc1	ZINC000335452061	526635221	/nfs/dbraw/zinc/63/52/21/526635221.db2.gz	ISERYYHUUWGARY-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2s[n-]c(=O)c2Cl)c1	ZINC000339225613	526722152	/nfs/dbraw/zinc/72/21/52/526722152.db2.gz	ARNNSHXNZVIWSI-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
Cc1sc(NC(=O)C[C@@H](C)CC(=O)[O-])c(C#N)c1C	ZINC000061834833	526881665	/nfs/dbraw/zinc/88/16/65/526881665.db2.gz	KNPAOVLDYCCKEH-SSDOTTSWSA-N	-1	0	280.349	2.676	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000356025344	527033804	/nfs/dbraw/zinc/03/38/04/527033804.db2.gz	PJTLEQTVPGKWSB-UHFFFAOYSA-N	-1	0	298.346	2.884	20	30		CFEDRM
C=CCCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F	ZINC000344753949	527234434	/nfs/dbraw/zinc/23/44/34/527234434.db2.gz	OKGPMTBEFNQJIT-UHFFFAOYSA-N	-1	0	295.738	2.863	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1	ZINC000350640700	527264502	/nfs/dbraw/zinc/26/45/02/527264502.db2.gz	XOTDMFSDBWIRHO-NXEZZACHSA-N	-1	0	298.412	2.534	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1ccc(C#N)nc1)C(=O)[O-]	ZINC000416441891	527678060	/nfs/dbraw/zinc/67/80/60/527678060.db2.gz	SAFOHLOULSOJEJ-LBPRGKRZSA-N	-1	0	261.325	2.645	20	30		CFEDRM
CCC(CC)(CNc1ncc(C#N)cc1Cl)C(=O)[O-]	ZINC000424461668	528696926	/nfs/dbraw/zinc/69/69/26/528696926.db2.gz	ABZCOZCOGDJABV-UHFFFAOYSA-N	-1	0	281.743	2.910	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])nc1	ZINC000736683837	574065510	/nfs/dbraw/zinc/06/55/10/574065510.db2.gz	YIHDJGNLBHCSAN-UHFFFAOYSA-N	-1	0	272.691	2.674	20	30		CFEDRM
C=CCCC(=O)N1CCCN(C(=O)[O-])c2ccccc21	ZINC000738487958	574090925	/nfs/dbraw/zinc/09/09/25/574090925.db2.gz	CXYWFZKOVCGHKE-UHFFFAOYSA-N	-1	0	274.320	2.874	20	30		CFEDRM
CCCCCCCC(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736983960	574091555	/nfs/dbraw/zinc/09/15/55/574091555.db2.gz	SWWWZURFUOMBGJ-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
C=CCN(CCNC(=O)[O-])Cc1ccc(Cl)s1	ZINC000738489245	574092946	/nfs/dbraw/zinc/09/29/46/574092946.db2.gz	BMCXKEIFDYIVJX-UHFFFAOYSA-N	-1	0	274.773	2.657	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738490326	574094584	/nfs/dbraw/zinc/09/45/84/574094584.db2.gz	RDGMMYNTFGPDNZ-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@H]2CCO[C@@H]21	ZINC000737417004	574139412	/nfs/dbraw/zinc/13/94/12/574139412.db2.gz	VWFFXUGLLVCIMT-YPMHNXCESA-N	-1	0	274.320	2.598	20	30		CFEDRM
O=C([O-])c1csc(CN=Nc2nncc3ccccc32)c1	ZINC000755490829	574165346	/nfs/dbraw/zinc/16/53/46/574165346.db2.gz	KXHVNZYMBQDCBR-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
Cc1cc(NC(=O)/C=C/c2ccccc2C#N)c(C(=O)[O-])[nH]1	ZINC000738425365	574168669	/nfs/dbraw/zinc/16/86/69/574168669.db2.gz	PKPJATPQSWYNNX-VOTSOKGWSA-N	-1	0	295.298	2.545	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738487730	574171211	/nfs/dbraw/zinc/17/12/11/574171211.db2.gz	BLQLPOPHVHFOBH-QMMMGPOBSA-N	-1	0	266.272	2.610	20	30		CFEDRM
COc1cccc(NN=Cc2cc(C(=O)[O-])cs2)c1	ZINC000755609252	574171432	/nfs/dbraw/zinc/17/14/32/574171432.db2.gz	SZWCGUMDQWVWCA-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC(Cc2ccccc2)C2CC2)n1	ZINC000729145611	574178849	/nfs/dbraw/zinc/17/88/49/574178849.db2.gz	MHQZVSXWDSKOMZ-UHFFFAOYSA-N	-1	0	282.347	2.911	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n(C)n1	ZINC000747197997	574187105	/nfs/dbraw/zinc/18/71/05/574187105.db2.gz	RCTUZDCAZGMOBW-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
C[C@H](CCNc1ccc(C#N)c(Cl)c1)NC(=O)[O-]	ZINC000738902728	574190236	/nfs/dbraw/zinc/19/02/36/574190236.db2.gz	DZZMZDFUPHQUGY-MRVPVSSYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
N#CCCCSc1nc2ccc(C(=O)[O-])cc2o1	ZINC000739072551	574196927	/nfs/dbraw/zinc/19/69/27/574196927.db2.gz	ISYTYOYPTLSAPW-UHFFFAOYSA-N	-1	0	262.290	2.922	20	30		CFEDRM
N#Cc1ccc(SCc2cc(C(=O)[O-])co2)nc1	ZINC000739132953	574199656	/nfs/dbraw/zinc/19/96/56/574199656.db2.gz	XLGKNYLFSPEDLT-UHFFFAOYSA-N	-1	0	260.274	2.537	20	30		CFEDRM
C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1NC(=O)[O-]	ZINC000739193926	574200500	/nfs/dbraw/zinc/20/05/00/574200500.db2.gz	PUCRUAGQOKCAIE-RNCFNFMXSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000738597344	574203384	/nfs/dbraw/zinc/20/33/84/574203384.db2.gz	RFSVMFUHBFMTLC-MRVPVSSYSA-N	-1	0	295.726	2.662	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C2\Cc3ccccc3C2=O)c1	ZINC000733205216	574210723	/nfs/dbraw/zinc/21/07/23/574210723.db2.gz	NNZWNXHXPZHOSQ-RIYZIHGNSA-N	-1	0	294.306	2.972	20	30		CFEDRM
CN(C(=O)[O-])[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1	ZINC000739589270	574220433	/nfs/dbraw/zinc/22/04/33/574220433.db2.gz	WSDOQRRIDNQTIH-GFCCVEGCSA-N	-1	0	293.754	2.790	20	30		CFEDRM
O=C([O-])CCc1ccc(N=Cc2cccc(O)c2O)cc1	ZINC000739754000	574224509	/nfs/dbraw/zinc/22/45/09/574224509.db2.gz	WOZYIJIOZZEPGR-UHFFFAOYSA-N	-1	0	285.299	2.866	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748003453	574224632	/nfs/dbraw/zinc/22/46/32/574224632.db2.gz	VXVBTSYQLUFQNV-IAQYHMDHSA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C([O-])N1CCC[C@H](/N=C/c2cc(Cl)ccc2O)C1	ZINC000739924167	574229876	/nfs/dbraw/zinc/22/98/76/574229876.db2.gz	CPJUCOHTALPCPP-BXRZMRDGSA-N	-1	0	282.727	2.607	20	30		CFEDRM
CC/C=C(\C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000729701953	574229935	/nfs/dbraw/zinc/22/99/35/574229935.db2.gz	PIOYTXTWDUXGDT-FZPLPXEFSA-N	-1	0	292.360	2.527	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2cccc(F)c2)cc1[O-]	ZINC000748132623	574231164	/nfs/dbraw/zinc/23/11/64/574231164.db2.gz	DQWTYCRPSMULMV-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCCCc2ccccc2)o1	ZINC000740123328	574237624	/nfs/dbraw/zinc/23/76/24/574237624.db2.gz	LLNAMPRXPFYVRO-UHFFFAOYSA-N	-1	0	272.304	2.534	20	30		CFEDRM
O=C([O-])c1ccccc1-c1ccc(C=NNCC(F)F)o1	ZINC000740240733	574244166	/nfs/dbraw/zinc/24/41/66/574244166.db2.gz	DLSFLTJNJRCDCI-UHFFFAOYSA-N	-1	0	294.257	2.833	20	30		CFEDRM
N#CCCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000740306151	574246074	/nfs/dbraw/zinc/24/60/74/574246074.db2.gz	DEWISLAFLOSVJD-UPJWGTAASA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#Cc1cc(F)c(N[C@@H]2CCCCN(C(=O)[O-])C2)c(F)c1	ZINC000740311482	574246775	/nfs/dbraw/zinc/24/67/75/574246775.db2.gz	QGBBJJHJCIJNMZ-SNVBAGLBSA-N	-1	0	295.289	2.781	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCN(C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000740316742	574246796	/nfs/dbraw/zinc/24/67/96/574246796.db2.gz	NRCDUVUAHGASQD-SECBINFHSA-N	-1	0	299.252	2.741	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2ccc(F)cc2)c1	ZINC000748411213	574251359	/nfs/dbraw/zinc/25/13/59/574251359.db2.gz	MHEJMPNDWNZFMO-UHFFFAOYSA-N	-1	0	284.290	2.974	20	30		CFEDRM
CCCCCCCCCC(=O)[N-]S(=O)(=O)CC1CC1	ZINC000733704336	574252483	/nfs/dbraw/zinc/25/24/83/574252483.db2.gz	WCLQWTAQXRRLKF-UHFFFAOYSA-N	-1	0	289.441	2.983	20	30		CFEDRM
O=C([O-])N[C@H](C/N=C\c1ccccc1O)c1ccccc1	ZINC000740541418	574254846	/nfs/dbraw/zinc/25/48/46/574254846.db2.gz	ZBLCPTIBLWJTDB-AYCSXLNKSA-N	-1	0	284.315	2.820	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C\c2cnn3ccccc23)cs1	ZINC000730149308	574255991	/nfs/dbraw/zinc/25/59/91/574255991.db2.gz	FWRVZQONQUANJN-PLNGDYQASA-N	-1	0	298.323	2.990	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1ccnc2ccccc21	ZINC000730148084	574256016	/nfs/dbraw/zinc/25/60/16/574256016.db2.gz	NSZKDFQTNFYJDE-UHFFFAOYSA-N	-1	0	291.310	2.801	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)ccc1O	ZINC000740619728	574258463	/nfs/dbraw/zinc/25/84/63/574258463.db2.gz	IBPOJMSGIBTXPY-AYDLFPIJSA-N	-1	0	296.754	2.901	20	30		CFEDRM
Cc1nnc(N=NC(C(C)C)C2CCCCC2)[n-]c1=O	ZINC000733908068	574261610	/nfs/dbraw/zinc/26/16/10/574261610.db2.gz	ZSSGHIJUQPODOQ-UHFFFAOYSA-N	-1	0	277.372	2.890	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC(C)(C)C	ZINC000756906233	574271878	/nfs/dbraw/zinc/27/18/78/574271878.db2.gz	VYVVMDRJSHBEKU-UHFFFAOYSA-N	-1	0	250.298	2.837	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc[nH]1	ZINC000756906257	574272067	/nfs/dbraw/zinc/27/20/67/574272067.db2.gz	XDKVRWDVRUBUOL-UHFFFAOYSA-N	-1	0	273.292	2.558	20	30		CFEDRM
C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(C#N)cc1	ZINC000749062490	574278436	/nfs/dbraw/zinc/27/84/36/574278436.db2.gz	DDAUFPQWGOIFKQ-VIFPVBQESA-N	-1	0	285.259	2.713	20	30		CFEDRM
COc1ccc2c(c1)OCC2=NNc1ccc(C(=O)[O-])cc1	ZINC000749158005	574283086	/nfs/dbraw/zinc/28/30/86/574283086.db2.gz	MERURADPXXJFJJ-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CCC(CC)NN=C(C)c1cc(NC(C)=O)ccc1O	ZINC000734365102	574283907	/nfs/dbraw/zinc/28/39/07/574283907.db2.gz	RFYQIKZHTIEAGX-UHFFFAOYSA-N	-1	0	277.368	2.853	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2ncc(Cl)cc2Cl)[nH]1	ZINC000749812286	574310368	/nfs/dbraw/zinc/31/03/68/574310368.db2.gz	LVVZACAOFUSYFI-UHFFFAOYSA-N	-1	0	299.117	2.861	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(OC(F)F)cc2)[nH]1	ZINC000749815167	574310700	/nfs/dbraw/zinc/31/07/00/574310700.db2.gz	KGKFXJVCQPCRFS-UHFFFAOYSA-N	-1	0	295.245	2.760	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2nccs2)s1	ZINC000735228802	574316051	/nfs/dbraw/zinc/31/60/51/574316051.db2.gz	IJZNQPDWMCEBME-RJRFIUFISA-N	-1	0	265.315	2.799	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1cccnn1	ZINC000735976991	574346161	/nfs/dbraw/zinc/34/61/61/574346161.db2.gz	OHUTXZVNVBZVCY-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
C=CCCCNc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000736102433	574350036	/nfs/dbraw/zinc/35/00/36/574350036.db2.gz	HGWTYEVMLNFZNJ-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
C=CCS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C	ZINC000736114020	574351535	/nfs/dbraw/zinc/35/15/35/574351535.db2.gz	JBDBORODRHWMLF-VIFPVBQESA-N	-1	0	267.350	2.820	20	30		CFEDRM
N#CCN(Cc1ccc(F)cc1C(=O)[O-])C1CCCC1	ZINC000739085807	574353889	/nfs/dbraw/zinc/35/38/89/574353889.db2.gz	KUXBOPIFYBDOIX-UHFFFAOYSA-N	-1	0	276.311	2.792	20	30		CFEDRM
C[C@H](C#N)CSc1ccccc1N[C@H](C)C(=O)[O-]	ZINC000736201523	574354325	/nfs/dbraw/zinc/35/43/25/574354325.db2.gz	HPPZGJXEICLNHT-NXEZZACHSA-N	-1	0	264.350	2.823	20	30		CFEDRM
C[C@@H](C#N)CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736203906	574354441	/nfs/dbraw/zinc/35/44/41/574354441.db2.gz	WKJVYHMMYQMGRR-CABZTGNLSA-N	-1	0	266.728	2.557	20	30		CFEDRM
CC(C)(C)CN(CCC#N)Cc1occc1C(=O)[O-]	ZINC000736261562	574358269	/nfs/dbraw/zinc/35/82/69/574358269.db2.gz	VAZQHENZZWUWTJ-UHFFFAOYSA-N	-1	0	264.325	2.740	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@H]2CCCO[C@@H]21	ZINC000743418237	574362973	/nfs/dbraw/zinc/36/29/73/574362973.db2.gz	XQJPXFGXYUMNGX-OCCSQVGLSA-N	-1	0	288.347	2.988	20	30		CFEDRM
COc1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])cc1	ZINC000750945508	574364948	/nfs/dbraw/zinc/36/49/48/574364948.db2.gz	HHTIAKVPMUJRNQ-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
COc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1F	ZINC000751322537	574374406	/nfs/dbraw/zinc/37/44/06/574374406.db2.gz	XCZPEJYOPRIDNZ-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
N#Cc1cccc(Cl)c1NC[C@@H]1CCCN1C(=O)[O-]	ZINC000831145832	603188350	/nfs/dbraw/zinc/18/83/50/603188350.db2.gz	BOJYZQULBPTAHF-JTQLQIEISA-N	-1	0	279.727	2.766	20	30		CFEDRM
CC(C)C[C@@H](N=Cc1cc2ccccc2[nH]c1=O)C(=O)[O-]	ZINC000817878227	597016312	/nfs/dbraw/zinc/01/63/12/597016312.db2.gz	CXKRZXNEKYFAAJ-IREQLNLFSA-N	-1	0	286.331	2.859	20	30		CFEDRM
O=C([O-])c1ccc(CON=Cc2cccs2)cc1	ZINC000819687577	597299312	/nfs/dbraw/zinc/29/93/12/597299312.db2.gz	TXBBCPBZBSDFBL-UHFFFAOYSA-N	-1	0	261.302	2.997	20	30		CFEDRM
COc1ccccc1C=NOCc1ccc(C(=O)[O-])cc1	ZINC000818631409	597299509	/nfs/dbraw/zinc/29/95/09/597299509.db2.gz	SXFGEQQREMKJRU-UHFFFAOYSA-N	-1	0	285.299	2.944	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)NC1CC(C)(C)CC(C)(C)C1	ZINC000820206120	597608986	/nfs/dbraw/zinc/60/89/86/597608986.db2.gz	NZIGBBHEVJQYCU-MRXNPFEDSA-N	-1	0	294.395	2.712	20	30		CFEDRM
C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1F	ZINC000820161851	597623414	/nfs/dbraw/zinc/62/34/14/597623414.db2.gz	SULFFQXUDLGXRL-CLAHSXSESA-N	-1	0	297.257	2.574	20	30		CFEDRM
Cc1ccnc(NCc2cccc(C(=O)[O-])c2)c1C#N	ZINC000135042890	597789816	/nfs/dbraw/zinc/78/98/16/597789816.db2.gz	VPEMHFAFAMIWEI-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000821320253	598135468	/nfs/dbraw/zinc/13/54/68/598135468.db2.gz	KFJLYCLROKPMOW-CQSZACIVSA-N	-1	0	298.273	2.519	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)Nc1ccccc1C(=O)[O-])C1CC1	ZINC000819875554	598177123	/nfs/dbraw/zinc/17/71/23/598177123.db2.gz	YVVPCUPTNUQUAV-SNVBAGLBSA-N	-1	0	287.319	2.541	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])s1	ZINC000821330229	598180716	/nfs/dbraw/zinc/18/07/16/598180716.db2.gz	XDOBNZBQTGCGOE-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cscn2)c1	ZINC000774135545	598201779	/nfs/dbraw/zinc/20/17/79/598201779.db2.gz	QVHRBENURGBPQM-PLNGDYQASA-N	-1	0	259.286	2.737	20	30		CFEDRM
CC(C)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1	ZINC000820057431	598221683	/nfs/dbraw/zinc/22/16/83/598221683.db2.gz	AYZXTIZBKXZAHW-OAHLLOKOSA-N	-1	0	274.320	2.753	20	30		CFEDRM
Cc1cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)s1	ZINC000820963807	598224023	/nfs/dbraw/zinc/22/40/23/598224023.db2.gz	VPIRCZMYCIHUEM-OTYXRUKQSA-N	-1	0	294.376	2.547	20	30		CFEDRM
C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])c2ccccc21	ZINC000820237743	598224071	/nfs/dbraw/zinc/22/40/71/598224071.db2.gz	CVKYHAZLAKWQSQ-MEDUHNTESA-N	-1	0	286.331	2.531	20	30		CFEDRM
CC(C)CC(CC(C)C)NC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000819966975	598226800	/nfs/dbraw/zinc/22/68/00/598226800.db2.gz	JYSZRNYIPZYRQK-HNNXBMFYSA-N	-1	0	282.384	2.568	20	30		CFEDRM
Cc1ccccc1[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000821120123	598230801	/nfs/dbraw/zinc/23/08/01/598230801.db2.gz	MYWSRSPOJIWFFC-IAQYHMDHSA-N	-1	0	275.304	2.604	20	30		CFEDRM
Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)nc1	ZINC000727263094	600055481	/nfs/dbraw/zinc/05/54/81/600055481.db2.gz	MTJLFIKSUQRFTI-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
CCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000103502554	600236242	/nfs/dbraw/zinc/23/62/42/600236242.db2.gz	NGKMULQQEFQOCM-LBPRGKRZSA-N	-1	0	255.358	2.813	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000161190596	600284627	/nfs/dbraw/zinc/28/46/27/600284627.db2.gz	FMEBTIBVIQAJNS-UHFFFAOYSA-N	-1	0	289.118	2.912	20	30		CFEDRM
O=C([O-])c1ccc(OCCON=C2CCC2)c(Cl)c1	ZINC000833323009	600805089	/nfs/dbraw/zinc/80/50/89/600805089.db2.gz	ZFLXKCNOEGEWHN-UHFFFAOYSA-N	-1	0	283.711	2.974	20	30		CFEDRM
C=CCCS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O	ZINC000825676144	600825646	/nfs/dbraw/zinc/82/56/46/600825646.db2.gz	XGZOCAPPLLQAJV-JTQLQIEISA-N	-1	0	297.401	2.861	20	30		CFEDRM
CC(C)(C#N)CCSc1ncccc1C(=O)[O-]	ZINC000087590294	600835958	/nfs/dbraw/zinc/83/59/58/600835958.db2.gz	MOEGRLVOMZCZJF-UHFFFAOYSA-N	-1	0	250.323	2.812	20	30		CFEDRM
CC(C)C[C@H](OC(=O)/C=C/c1ccccc1C#N)C(=O)[O-]	ZINC000826815212	600953218	/nfs/dbraw/zinc/95/32/18/600953218.db2.gz	YDKFGCLINVLJCJ-NPQIQWPPSA-N	-1	0	287.315	2.614	20	30		CFEDRM
C=C(C)CCOC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000825641997	600962599	/nfs/dbraw/zinc/96/25/99/600962599.db2.gz	CTUWMZHETRISAW-UHFFFAOYSA-N	-1	0	262.305	2.827	20	30		CFEDRM
N#C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1	ZINC000833065301	601140185	/nfs/dbraw/zinc/14/01/85/601140185.db2.gz	XRRXHJQJKSPQCQ-JTQLQIEISA-N	-1	0	292.360	2.649	20	30		CFEDRM
N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C1CCCCC1	ZINC000833065302	601140256	/nfs/dbraw/zinc/14/02/56/601140256.db2.gz	XRRXHJQJKSPQCQ-SNVBAGLBSA-N	-1	0	292.360	2.649	20	30		CFEDRM
C=CCCCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-]	ZINC000825671103	601162676	/nfs/dbraw/zinc/16/26/76/601162676.db2.gz	CHMFUVPUEBTYCI-WFASDCNBSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000164741954	601243366	/nfs/dbraw/zinc/24/33/66/601243366.db2.gz	PTJCMBRYJUANTE-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C#N)s1	ZINC000832914641	601271580	/nfs/dbraw/zinc/27/15/80/601271580.db2.gz	CRTMSVFQTJTZAE-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
CN(Cc1cccs1)[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000830865152	601297657	/nfs/dbraw/zinc/29/76/57/601297657.db2.gz	JPGADQNFSYIGKT-CQSZACIVSA-N	-1	0	286.356	2.877	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\Oc3c(cccc3Cl)C2=O)[nH]1	ZINC000833312725	601332335	/nfs/dbraw/zinc/33/23/35/601332335.db2.gz	VJVXTMBAJOAFAO-WDZFZDKYSA-N	-1	0	289.674	2.983	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000825642328	601338230	/nfs/dbraw/zinc/33/82/30/601338230.db2.gz	PKYSWGARWAIQCM-UHFFFAOYSA-N	-1	0	264.350	2.556	20	30		CFEDRM
CCC/C=C\C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829266065	601349179	/nfs/dbraw/zinc/34/91/79/601349179.db2.gz	FZSAJORMJVBNMA-VCDPDADVSA-N	-1	0	273.288	2.583	20	30		CFEDRM
COc1cccc(O)c1C=Nc1ccccc1CC(=O)[O-]	ZINC000818622885	601365431	/nfs/dbraw/zinc/36/54/31/601365431.db2.gz	YKQAQIOCJAAYNG-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
CCOc1ccc(/C=N/CC2(C(=O)[O-])CCCC2)c(O)c1	ZINC000830063674	601365645	/nfs/dbraw/zinc/36/56/45/601365645.db2.gz	HQEKFORKJMIVDD-LICLKQGHSA-N	-1	0	291.347	2.855	20	30		CFEDRM
C=CCCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000237654199	601394401	/nfs/dbraw/zinc/39/44/01/601394401.db2.gz	XMEOODLBPMBYNV-BXUZGUMPSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=CCCCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000825671665	601430578	/nfs/dbraw/zinc/43/05/78/601430578.db2.gz	ZNFNQOUWGSQLSO-AWEZNQCLSA-N	-1	0	273.288	2.583	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1	ZINC000825671364	601434923	/nfs/dbraw/zinc/43/49/23/601434923.db2.gz	NQIDHWSERJDTJV-AWEZNQCLSA-N	-1	0	291.347	2.684	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000825671383	601434959	/nfs/dbraw/zinc/43/49/59/601434959.db2.gz	ODSVFMLSKXYNFP-CYBMUJFWSA-N	-1	0	261.321	2.675	20	30		CFEDRM
C=CCCC(=O)OCc1cc(C(=O)[O-])oc1CC	ZINC000825664543	601463649	/nfs/dbraw/zinc/46/36/49/601463649.db2.gz	DFPNJUGAOOKPDY-UHFFFAOYSA-N	-1	0	252.266	2.550	20	30		CFEDRM
C=CCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1	ZINC000825671501	601472333	/nfs/dbraw/zinc/47/23/33/601472333.db2.gz	RPQBFWWJPPDVGY-UHFFFAOYSA-N	-1	0	258.277	2.944	20	30		CFEDRM
N#Cc1nc(SCCCC(=O)[O-])ccc1Cl	ZINC000833079668	601565327	/nfs/dbraw/zinc/56/53/27/601565327.db2.gz	YTGACUDDRBIRTF-UHFFFAOYSA-N	-1	0	256.714	2.564	20	30		CFEDRM
N#Cc1csc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1	ZINC000833078604	601683828	/nfs/dbraw/zinc/68/38/28/601683828.db2.gz	LVVYHGPWCHDPKY-LBPRGKRZSA-N	-1	0	287.296	2.602	20	30		CFEDRM
N#Cc1csc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1	ZINC000833078603	601683854	/nfs/dbraw/zinc/68/38/54/601683854.db2.gz	LVVYHGPWCHDPKY-GFCCVEGCSA-N	-1	0	287.296	2.602	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1	ZINC000825660152	601755615	/nfs/dbraw/zinc/75/56/15/601755615.db2.gz	XCJMQVTYQPCWMY-SNVBAGLBSA-N	-1	0	294.376	2.700	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000158846440	601757392	/nfs/dbraw/zinc/75/73/92/601757392.db2.gz	CIRJACOIHIWYLH-ZETCQYMHSA-N	-1	0	268.700	2.734	20	30		CFEDRM
COc1ccc(C)cc1C(=O)/C=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832253131	601792241	/nfs/dbraw/zinc/79/22/41/601792241.db2.gz	UXQROMLGJGDDNU-SNAWJCMRSA-N	-1	0	285.299	2.926	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/CCc3c(O)cccc3C2=O)c[nH]1	ZINC000833298433	601794518	/nfs/dbraw/zinc/79/45/18/601794518.db2.gz	UZYKPVZUQUSNDO-POHAHGRESA-N	-1	0	283.283	2.631	20	30		CFEDRM
N#Cc1nc(NCc2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000821345002	601932155	/nfs/dbraw/zinc/93/21/55/601932155.db2.gz	CRMWSCGEXHWCGC-UHFFFAOYSA-N	-1	0	287.706	2.917	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C\C(=O)c2cccnc2)cc1)C(=O)[O-]	ZINC000827884693	602106210	/nfs/dbraw/zinc/10/62/10/602106210.db2.gz	YOJMSXVKLOTLPX-OJIASSBASA-N	-1	0	297.310	2.830	20	30		CFEDRM
C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc2ccccc2s1	ZINC000827241310	602178707	/nfs/dbraw/zinc/17/87/07/602178707.db2.gz	VNWSSCOYCAVPOM-RKDXNWHRSA-N	-1	0	288.328	2.583	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(C(=O)[O-])cs2)CCCCC1	ZINC000833064833	602180954	/nfs/dbraw/zinc/18/09/54/602180954.db2.gz	NWMLWGFDPNQXBG-UHFFFAOYSA-N	-1	0	278.333	2.859	20	30		CFEDRM
C#CCCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000229756820	602207414	/nfs/dbraw/zinc/20/74/14/602207414.db2.gz	VLAQHHQKORHTAL-UHFFFAOYSA-N	-1	0	294.738	2.963	20	30		CFEDRM
C#Cc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1	ZINC000738470752	602364178	/nfs/dbraw/zinc/36/41/78/602364178.db2.gz	MVNAQSKYLVBGPH-HNNXBMFYSA-N	-1	0	294.310	2.615	20	30		CFEDRM
Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1NC(=O)[O-]	ZINC000830182020	602787402	/nfs/dbraw/zinc/78/74/02/602787402.db2.gz	MVWHWEZDUXMYED-UHFFFAOYSA-N	-1	0	289.335	2.849	20	30		CFEDRM
Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1NC(=O)[O-]	ZINC000830203842	602862412	/nfs/dbraw/zinc/86/24/12/602862412.db2.gz	AHMXKDGQMOCMAD-UHFFFAOYSA-N	-1	0	287.319	2.651	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)C[C@H](C)NC(=O)[O-]	ZINC000823500550	602918071	/nfs/dbraw/zinc/91/80/71/602918071.db2.gz	GTUWHPNMRVUTHL-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000831118423	603197808	/nfs/dbraw/zinc/19/78/08/603197808.db2.gz	YMLTUHGLCZKIJF-ZWNOBZJWSA-N	-1	0	291.326	2.936	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000827020673	603348968	/nfs/dbraw/zinc/34/89/68/603348968.db2.gz	ZHPBNUPHMVYHKJ-SNVBAGLBSA-N	-1	0	289.335	2.707	20	30		CFEDRM
C#Cc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1	ZINC000900354895	620663572	/nfs/dbraw/zinc/66/35/72/620663572.db2.gz	COPIEHYOMSCNCD-LLVKDONJSA-N	-1	0	286.331	2.527	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)N[C@H](CCF)C(=O)[O-])c1	ZINC000900354748	620663545	/nfs/dbraw/zinc/66/35/45/620663545.db2.gz	ABCQTTJRLZFWOQ-GFCCVEGCSA-N	-1	0	280.299	2.654	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1NC(=O)[O-]	ZINC000823490769	603949987	/nfs/dbraw/zinc/94/99/87/603949987.db2.gz	KYBGVFVXYSGHTC-RWMBFGLXSA-N	-1	0	282.384	2.674	20	30		CFEDRM
C=C(Cl)COC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000823486077	604063441	/nfs/dbraw/zinc/06/34/41/604063441.db2.gz	OFDBFYCVEDVFFQ-LBPRGKRZSA-N	-1	0	297.738	2.551	20	30		CFEDRM
CC(N=Nc1ccc(F)cn1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532580	604088108	/nfs/dbraw/zinc/08/81/08/604088108.db2.gz	KZLNXEOADHRVQS-NSHDSACASA-N	-1	0	280.303	2.541	20	30		CFEDRM
CCC[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(C#N)cc1	ZINC000826757150	604161336	/nfs/dbraw/zinc/16/13/36/604161336.db2.gz	DFVNQWXRNXBKTI-MFKMUULPSA-N	-1	0	290.319	2.599	20	30		CFEDRM
COc1cc(F)cc(N=NC2CCC[C@@H]2CNC(=O)[O-])c1	ZINC000829141577	604305101	/nfs/dbraw/zinc/30/51/01/604305101.db2.gz	DLJGTTVOFDKWFV-SECBINFHSA-N	-1	0	295.314	2.670	20	30		CFEDRM
C=CCN(C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)C(C)C	ZINC000823500962	604338350	/nfs/dbraw/zinc/33/83/50/604338350.db2.gz	OCYHJEGCOXBHHE-KBPBESRZSA-N	-1	0	296.411	2.826	20	30		CFEDRM
Cc1ccc(F)c(N=NCC2CCN(C(=O)[O-])CC2)c1	ZINC000830327907	604346262	/nfs/dbraw/zinc/34/62/62/604346262.db2.gz	AQVKPNBGWJFKHG-UHFFFAOYSA-N	-1	0	279.315	2.922	20	30		CFEDRM
C=CCCOC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000823496536	604413604	/nfs/dbraw/zinc/41/36/04/604413604.db2.gz	KZKACGSGFLHNQQ-NWDGAFQWSA-N	-1	0	269.341	2.522	20	30		CFEDRM
C=CCCCC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823496591	604450945	/nfs/dbraw/zinc/45/09/45/604450945.db2.gz	MGNSEJCDJDDTEJ-GFCCVEGCSA-N	-1	0	290.363	2.988	20	30		CFEDRM
C=CCCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825664982	604578312	/nfs/dbraw/zinc/57/83/12/604578312.db2.gz	RUBJTVWGRDFWON-VIFPVBQESA-N	-1	0	252.266	2.857	20	30		CFEDRM
C/C(=C\C(=O)OCc1cccc(C(=O)[O-])c1C#N)C1CC1	ZINC000833382320	604582463	/nfs/dbraw/zinc/58/24/63/604582463.db2.gz	IPZGDLGHXGFDPQ-JXMROGBWSA-N	-1	0	285.299	2.656	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1cc(C(=O)[O-])c(C)o1)OCC	ZINC000833368666	604596689	/nfs/dbraw/zinc/59/66/89/604596689.db2.gz	OZEDZXGONGERAV-CYBMUJFWSA-N	-1	0	296.319	2.701	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1cc(C)c(C(=O)[O-])o1)OCC	ZINC000833368597	604596848	/nfs/dbraw/zinc/59/68/48/604596848.db2.gz	MOQYEOJSDMVBFY-GFCCVEGCSA-N	-1	0	296.319	2.701	20	30		CFEDRM
C=C(C)CN(CC)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000111403492	604597293	/nfs/dbraw/zinc/59/72/93/604597293.db2.gz	TUDVEFJWKNPHSR-UHFFFAOYSA-N	-1	0	290.363	2.535	20	30		CFEDRM
C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N	ZINC000833615583	604602056	/nfs/dbraw/zinc/60/20/56/604602056.db2.gz	OTZSFSXFYJTZTM-LLVKDONJSA-N	-1	0	258.321	2.631	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(O)c1	ZINC000763368033	604668492	/nfs/dbraw/zinc/66/84/92/604668492.db2.gz	IXKLESVDSSAQGI-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
CCOc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000763371559	604668551	/nfs/dbraw/zinc/66/85/51/604668551.db2.gz	DQXHFJDBONFIGP-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1ccc(C(=O)[O-])cc1F	ZINC000833374014	604700273	/nfs/dbraw/zinc/70/02/73/604700273.db2.gz	NNAYARTVLCPJKL-SNVBAGLBSA-N	-1	0	296.294	2.548	20	30		CFEDRM
C#CC[C@H](Nc1cccc(C(=O)[O-])n1)c1ccccc1	ZINC000833362816	604716422	/nfs/dbraw/zinc/71/64/22/604716422.db2.gz	MANJJKUVYYUXRV-ZDUSSCGKSA-N	-1	0	266.300	2.956	20	30		CFEDRM
C=C(Cl)CN1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000167301172	604772590	/nfs/dbraw/zinc/77/25/90/604772590.db2.gz	CDGBQQCLHVGWGI-NSHDSACASA-N	-1	0	251.713	2.817	20	30		CFEDRM
C#CCOc1ccc(F)cc1NCc1ccc(C(=O)[O-])o1	ZINC000833366998	604774647	/nfs/dbraw/zinc/77/46/47/604774647.db2.gz	OKKRZLZGGGFVAO-UHFFFAOYSA-N	-1	0	289.262	2.741	20	30		CFEDRM
C#CC[C@H](OC(=O)CCc1ccccc1C(=O)[O-])C1CC1	ZINC000833363012	604786110	/nfs/dbraw/zinc/78/61/10/604786110.db2.gz	WOKMSYHYRHLFFX-HNNXBMFYSA-N	-1	0	286.327	2.663	20	30		CFEDRM
C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C(C)(C)C#N	ZINC000833529173	604790911	/nfs/dbraw/zinc/79/09/11/604790911.db2.gz	NBKJEHUWXIATNB-LLVKDONJSA-N	-1	0	289.331	2.799	20	30		CFEDRM
C[C@H](CC(=O)[O-])SCC#Cc1ccc(F)cc1	ZINC000827384976	604799462	/nfs/dbraw/zinc/79/94/62/604799462.db2.gz	BLOPRNNMUSWVJC-SNVBAGLBSA-N	-1	0	252.310	2.774	20	30		CFEDRM
O=C([O-])c1cccc(OCC#Cc2ccc(F)cc2)c1	ZINC000833331303	604801709	/nfs/dbraw/zinc/80/17/09/604801709.db2.gz	AHHGOQAGBWOIMQ-UHFFFAOYSA-N	-1	0	270.259	2.954	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(C)cc1C(=O)[O-])C1CC1	ZINC000162374084	604973290	/nfs/dbraw/zinc/97/32/90/604973290.db2.gz	HMWTVPBZZXPFJA-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
CC(=NN[C@@H](C)CC#N)[C@H](C)CCCCC(=O)[O-]	ZINC000814883428	604984364	/nfs/dbraw/zinc/98/43/64/604984364.db2.gz	NJJBKZDKKXFTND-MNOVXSKESA-N	-1	0	253.346	2.535	20	30		CFEDRM
N#Cc1c(F)cccc1N1CCCC[C@H]1CC(=O)[O-]	ZINC000093396113	604984478	/nfs/dbraw/zinc/98/44/78/604984478.db2.gz	GEGGTMRSHGVYFS-JTQLQIEISA-N	-1	0	262.284	2.531	20	30		CFEDRM
C=CCOc1cccc(N[C@@H](C(=O)[O-])c2cccnc2)c1	ZINC000825702264	604995658	/nfs/dbraw/zinc/99/56/58/604995658.db2.gz	GQGNLNYETRAKCR-OAHLLOKOSA-N	-1	0	284.315	2.884	20	30		CFEDRM
C=CCCC(=O)COc1ccc(/C=C\C(=O)[O-])cc1OC	ZINC000833373494	605001696	/nfs/dbraw/zinc/00/16/96/605001696.db2.gz	QTFSUYUDJVOBQF-CLFYSBASSA-N	-1	0	290.315	2.707	20	30		CFEDRM
C#CCOc1cccc(N[C@@H](CCCC)C(=O)[O-])c1	ZINC000833366723	605005409	/nfs/dbraw/zinc/00/54/09/605005409.db2.gz	GXLXNJBTHLFAMU-AWEZNQCLSA-N	-1	0	261.321	2.754	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000236463820	605009948	/nfs/dbraw/zinc/00/99/48/605009948.db2.gz	BXBKUQAGCZDWBB-UHFFFAOYSA-N	-1	0	263.268	2.656	20	30		CFEDRM
C#CCCCCC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-]	ZINC000833362986	605014647	/nfs/dbraw/zinc/01/46/47/605014647.db2.gz	VGAOHGRMJHRGEI-KBPBESRZSA-N	-1	0	279.380	2.720	20	30		CFEDRM
C#CCCCCC(=O)OCc1cc(C(=O)[O-])c(C)o1	ZINC000833363017	605019650	/nfs/dbraw/zinc/01/96/50/605019650.db2.gz	WTMHEJWIDYBFTL-UHFFFAOYSA-N	-1	0	264.277	2.523	20	30		CFEDRM
CC(C)(C)c1cc(NC(=O)CCNC(=O)[O-])c(C#N)s1	ZINC000833450224	605026069	/nfs/dbraw/zinc/02/60/69/605026069.db2.gz	KMTZBLWSRUACPG-UHFFFAOYSA-N	-1	0	295.364	2.513	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2cncc(C(=O)[O-])c2)c1	ZINC000833379074	605029251	/nfs/dbraw/zinc/02/92/51/605029251.db2.gz	XUVJDLHUNYVLDN-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc(Cl)nc1	ZINC000833407675	605040975	/nfs/dbraw/zinc/04/09/75/605040975.db2.gz	VAJLSTPJLMTJLO-SECBINFHSA-N	-1	0	292.726	2.628	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000405306401	605085845	/nfs/dbraw/zinc/08/58/45/605085845.db2.gz	XPBFUJSRTTUCQA-OLZOCXBDSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=C[C@H](CC)OC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000833370364	605086244	/nfs/dbraw/zinc/08/62/44/605086244.db2.gz	CKTKGVQSBXNPEQ-LLVKDONJSA-N	-1	0	287.315	2.847	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc(O)ccc1O	ZINC000812442000	605098567	/nfs/dbraw/zinc/09/85/67/605098567.db2.gz	LZAUULAWLUVAAI-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
COc1c(O)cccc1C=NNc1ccccc1C(=O)[O-]	ZINC000812445805	605098689	/nfs/dbraw/zinc/09/86/89/605098689.db2.gz	AEBPMLRXYRMEEJ-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])c1ccc(O)cc1	ZINC000812443882	605098847	/nfs/dbraw/zinc/09/88/47/605098847.db2.gz	ZXVCUFMKJXTVGI-UHFFFAOYSA-N	-1	0	270.288	2.927	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-]	ZINC000063096822	605128698	/nfs/dbraw/zinc/12/86/98/605128698.db2.gz	ALEIYTPKNJFBEB-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC000148712197	605137697	/nfs/dbraw/zinc/13/76/97/605137697.db2.gz	XOPFQAQZHMFIQI-UHFFFAOYSA-N	-1	0	292.335	2.823	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(OC)ccc1C(=O)[O-])C(C)C	ZINC000162355882	605138042	/nfs/dbraw/zinc/13/80/42/605138042.db2.gz	NNTYCQRWVSZBMC-UHFFFAOYSA-N	-1	0	292.335	2.822	20	30		CFEDRM
C#CCCCSCC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000833362406	605180844	/nfs/dbraw/zinc/18/08/44/605180844.db2.gz	PZOCEIWWAKDZCA-UHFFFAOYSA-N	-1	0	291.372	2.778	20	30		CFEDRM
CC(C)N(CCC(=O)[O-])C(=O)c1ccc(Cl)c(C#N)c1	ZINC000833496879	605215430	/nfs/dbraw/zinc/21/54/30/605215430.db2.gz	LCMXVMWAZWOIHW-UHFFFAOYSA-N	-1	0	294.738	2.537	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)[O-]	ZINC000833430375	605240873	/nfs/dbraw/zinc/24/08/73/605240873.db2.gz	WEPCECPCOXPLCG-LBPRGKRZSA-N	-1	0	275.304	2.604	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833369715	605281461	/nfs/dbraw/zinc/28/14/61/605281461.db2.gz	BTVJTXPYEYEKCD-UHFFFAOYSA-N	-1	0	287.678	2.790	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)CCN(C(=O)[O-])C(C)C	ZINC000829840352	605297319	/nfs/dbraw/zinc/29/73/19/605297319.db2.gz	ZALDFWSKRGGEHI-UHFFFAOYSA-N	-1	0	289.335	2.584	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1	ZINC000833375688	605304211	/nfs/dbraw/zinc/30/42/11/605304211.db2.gz	INXPFRJOQWJUMY-UHFFFAOYSA-N	-1	0	296.298	2.837	20	30		CFEDRM
O=C([O-])N1CCC[C@@H](CN=Nc2cc(Cl)ccn2)C1	ZINC000834097983	605389444	/nfs/dbraw/zinc/38/94/44/605389444.db2.gz	FVIPRBFJDOOBEB-VIFPVBQESA-N	-1	0	282.731	2.523	20	30		CFEDRM
O=C([O-])Nc1ncccc1C=NNc1cc(Cl)ccn1	ZINC000834283203	605391215	/nfs/dbraw/zinc/39/12/15/605391215.db2.gz	LJMURGWJIPMPOB-UHFFFAOYSA-N	-1	0	291.698	2.666	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NN[C@H](C)CC#N	ZINC000824760776	605477863	/nfs/dbraw/zinc/47/78/63/605477863.db2.gz	XRQZWAQMCNYFMX-DGCLKSJQSA-N	-1	0	280.372	2.567	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNCC(F)F	ZINC000824759415	605478180	/nfs/dbraw/zinc/47/81/80/605478180.db2.gz	LOAAULKYXIQQGQ-JTQLQIEISA-N	-1	0	277.315	2.530	20	30		CFEDRM
C#CCOc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1	ZINC000817675211	605544502	/nfs/dbraw/zinc/54/45/02/605544502.db2.gz	BGHJLRPHFKGLSX-UHFFFAOYSA-N	-1	0	295.338	2.938	20	30		CFEDRM
C#Cc1ccc(C(=O)OCc2cccc(NC(=O)[O-])c2)nc1	ZINC000823466449	605546826	/nfs/dbraw/zinc/54/68/26/605546826.db2.gz	APIMZFFDPXEZMX-UHFFFAOYSA-N	-1	0	296.282	2.510	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)[O-])C1	ZINC000833852481	605554981	/nfs/dbraw/zinc/55/49/81/605554981.db2.gz	DWXRGMPIJBWIAM-QWHCGFSZSA-N	-1	0	284.400	2.852	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000833361638	605575208	/nfs/dbraw/zinc/57/52/08/605575208.db2.gz	FPXYVJVAHFLCNU-UHFFFAOYSA-N	-1	0	259.305	2.907	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000833362061	605575238	/nfs/dbraw/zinc/57/52/38/605575238.db2.gz	XPHFZFIMDSJRCF-UHFFFAOYSA-N	-1	0	260.289	2.874	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cnccc1C	ZINC000771551581	605593699	/nfs/dbraw/zinc/59/36/99/605593699.db2.gz	DDZKPMHZJNQPOP-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CC(C)(C)n1cc(C=NNc2cccc(C(=O)[O-])c2)cn1	ZINC000833453070	605595067	/nfs/dbraw/zinc/59/50/67/605595067.db2.gz	RDAASKADVWRYTQ-UHFFFAOYSA-N	-1	0	286.335	2.782	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000833361956	605606837	/nfs/dbraw/zinc/60/68/37/605606837.db2.gz	TZAQCXJOVVRTJV-UHFFFAOYSA-N	-1	0	262.309	2.544	20	30		CFEDRM
C#CCCCCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833361758	605673335	/nfs/dbraw/zinc/67/33/35/605673335.db2.gz	KFJJNTDXIWLLSN-INIZCTEOSA-N	-1	0	299.326	2.811	20	30		CFEDRM
N#Cc1cccc(COc2cccc(CNC(=O)[O-])c2)c1	ZINC000833978613	605700852	/nfs/dbraw/zinc/70/08/52/605700852.db2.gz	QINFPSDIKYULSZ-UHFFFAOYSA-N	-1	0	282.299	2.905	20	30		CFEDRM
CCOc1ccc(C#N)cc1NC1CCN(C(=O)[O-])CC1	ZINC000833862651	605719450	/nfs/dbraw/zinc/71/94/50/605719450.db2.gz	LBKZZEPMUFYYDD-UHFFFAOYSA-N	-1	0	289.335	2.511	20	30		CFEDRM
Cc1ccc(C#N)cc1NCC1CCN(C(=O)[O-])CC1	ZINC000833901670	605719466	/nfs/dbraw/zinc/71/94/66/605719466.db2.gz	LUSSLQBKMHJWCS-UHFFFAOYSA-N	-1	0	273.336	2.669	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1	ZINC000833551230	605728443	/nfs/dbraw/zinc/72/84/43/605728443.db2.gz	JXIRSXPXSFBHFE-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
Cc1nc(NC(=O)[O-])sc1C(=O)OCCC(C)(C)C#N	ZINC000833914513	605952695	/nfs/dbraw/zinc/95/26/95/605952695.db2.gz	QANJUHALCGAYDQ-UHFFFAOYSA-N	-1	0	297.336	2.638	20	30		CFEDRM
O=C([O-])Nc1ncccc1CN=Nc1ncccc1Cl	ZINC000834283913	605956086	/nfs/dbraw/zinc/95/60/86/605956086.db2.gz	YMFWSBCOFHXMHA-UHFFFAOYSA-N	-1	0	291.698	2.666	20	30		CFEDRM
N#CCC[C@@H](C#N)COc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000833969673	606040025	/nfs/dbraw/zinc/04/00/25/606040025.db2.gz	WKKWYGSMCAIQCX-LBPRGKRZSA-N	-1	0	299.330	2.545	20	30		CFEDRM
CC(CC1CC1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1	ZINC000820232115	606766646	/nfs/dbraw/zinc/76/66/46/606766646.db2.gz	DKIYGTBEALAQOT-UHFFFAOYSA-N	-1	0	289.343	2.566	20	30		CFEDRM
COc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000022728323	617798710	/nfs/dbraw/zinc/79/87/10/617798710.db2.gz	AVFPKLWERIUMBN-MHWRWJLKSA-N	-1	0	286.287	2.928	20	30		CFEDRM
Cc1nc(NCC(C)(C)CCC#N)sc1C(=O)[O-]	ZINC000900950892	620731989	/nfs/dbraw/zinc/73/19/89/620731989.db2.gz	RMEGVDUCFDUDJY-UHFFFAOYSA-N	-1	0	267.354	2.892	20	30		CFEDRM
Cc1nc(NCC2CCC(C#N)CC2)sc1C(=O)[O-]	ZINC000900951683	620732002	/nfs/dbraw/zinc/73/20/02/620732002.db2.gz	KBBNWDUIFFLZNF-UHFFFAOYSA-N	-1	0	279.365	2.892	20	30		CFEDRM
CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000048476600	618072205	/nfs/dbraw/zinc/07/22/05/618072205.db2.gz	UUNSICADBIPBJX-SNVBAGLBSA-N	-1	0	287.406	2.700	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1	ZINC000049515795	617608231	/nfs/dbraw/zinc/60/82/31/617608231.db2.gz	ZOCVRGDFJXTPLA-UHFFFAOYSA-N	-1	0	285.365	2.921	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC000900986727	620739614	/nfs/dbraw/zinc/73/96/14/620739614.db2.gz	JGHKWZISHAJGDK-NWDGAFQWSA-N	-1	0	290.750	2.759	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cccc(Cl)c1[O-]	ZINC000890556951	617649327	/nfs/dbraw/zinc/64/93/27/617649327.db2.gz	PYMFFZWWRWSVSC-SECBINFHSA-N	-1	0	251.713	2.836	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cn(C)c2ccccc12	ZINC000042343940	617653246	/nfs/dbraw/zinc/65/32/46/617653246.db2.gz	DTYCAKAXRUKHIV-UHFFFAOYSA-N	-1	0	294.376	2.613	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2	ZINC000042343263	617653578	/nfs/dbraw/zinc/65/35/78/617653578.db2.gz	YQGHTZDCKZETDN-UHFFFAOYSA-N	-1	0	295.404	3.000	20	30		CFEDRM
CC(=NNC[C@H]1CCSC1)c1cc(F)ccc1O	ZINC000811659472	617690037	/nfs/dbraw/zinc/69/00/37/617690037.db2.gz	SYKQMHVYLFXTNY-SNVBAGLBSA-N	-1	0	268.357	2.598	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000811671131	617713153	/nfs/dbraw/zinc/71/31/53/617713153.db2.gz	AHVMEQRQEYSAHP-WVDZYLRBSA-N	-1	0	270.672	2.794	20	30		CFEDRM
COC[C@@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000255006881	617725929	/nfs/dbraw/zinc/72/59/29/617725929.db2.gz	IRMQTYJZBRJQHH-LYBSMPDRSA-N	-1	0	286.715	2.655	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3ccccc3C(=O)[O-])C2)CO1	ZINC000901158755	620755039	/nfs/dbraw/zinc/75/50/39/620755039.db2.gz	KQAGVWMJMUZKIE-INHVJJQHSA-N	-1	0	274.320	2.742	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3ccccc3C(=O)[O-])C2)CO1	ZINC000901158758	620755097	/nfs/dbraw/zinc/75/50/97/620755097.db2.gz	KQAGVWMJMUZKIE-MYHCZTBNSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(CC)s1	ZINC000048518573	617978480	/nfs/dbraw/zinc/97/84/80/617978480.db2.gz	KRMWJIHHIBJYPR-UHFFFAOYSA-N	-1	0	275.395	2.745	20	30		CFEDRM
COCCCNN=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901234983	620769110	/nfs/dbraw/zinc/76/91/10/620769110.db2.gz	BWVBDLAKPHGVRO-UHFFFAOYSA-N	-1	0	292.360	2.560	20	30		CFEDRM
CC(=NN[C@H](C)C(F)(F)F)c1ccc(F)c(O)c1	ZINC000901249804	620771845	/nfs/dbraw/zinc/77/18/45/620771845.db2.gz	IIZYQRPVWKXZAE-SSDOTTSWSA-N	-1	0	264.222	2.796	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000048507702	618072481	/nfs/dbraw/zinc/07/24/81/618072481.db2.gz	NLYIFYDYXQBANB-UHFFFAOYSA-N	-1	0	280.349	2.535	20	30		CFEDRM
Cc1nn(C)cc1C(=O)/C=C\c1cc(F)c([O-])c(F)c1	ZINC000255195538	618078101	/nfs/dbraw/zinc/07/81/01/618078101.db2.gz	ZBBZMKDXHAQMOF-ARJAWSKDSA-N	-1	0	278.258	2.608	20	30		CFEDRM
CCn1nccc1/C=C\C(=O)c1ccc(OC)cc1[O-]	ZINC000255217361	618113446	/nfs/dbraw/zinc/11/34/46/618113446.db2.gz	WUXITDJPMLANTM-DAXSKMNVSA-N	-1	0	272.304	2.513	20	30		CFEDRM
O=C([O-])Cc1ccc(NN=Cc2ccnn2C2CCC2)cc1	ZINC000901261720	620777676	/nfs/dbraw/zinc/77/76/76/620777676.db2.gz	MYUDCFQFGKWBBC-UHFFFAOYSA-N	-1	0	298.346	2.681	20	30		CFEDRM
CCc1onc(C)c1C=NNc1cccc(C(=O)[O-])c1C	ZINC000901261382	620777832	/nfs/dbraw/zinc/77/78/32/620777832.db2.gz	GCJCISFJLNZDDV-UHFFFAOYSA-N	-1	0	287.319	2.998	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C2/Oc3ccccc3C2=O)cc1	ZINC000033957123	618161742	/nfs/dbraw/zinc/16/17/42/618161742.db2.gz	MNAUWUREZLVTHW-OQLLNIDSSA-N	-1	0	296.278	2.766	20	30		CFEDRM
COCc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176832913	618210256	/nfs/dbraw/zinc/21/02/56/618210256.db2.gz	QZXNTKARGVMAPL-UHFFFAOYSA-N	-1	0	282.299	2.663	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000892418059	618234470	/nfs/dbraw/zinc/23/44/70/618234470.db2.gz	NXLQWVOTNLQWIB-KHPPLWFESA-N	-1	0	293.388	2.706	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)o1)c1nc2ccccc2[nH]1	ZINC000892420305	618234862	/nfs/dbraw/zinc/23/48/62/618234862.db2.gz	QTCQCDDYDWZNRH-JTQLQIEISA-N	-1	0	292.298	2.918	20	30		CFEDRM
C=C1CC(C)(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1	ZINC000909426483	618251345	/nfs/dbraw/zinc/25/13/45/618251345.db2.gz	RAWKMGLLRIHFPB-AWEZNQCLSA-N	-1	0	285.343	2.553	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2cc(O)ccc2[O-])c1	ZINC000255690905	618264422	/nfs/dbraw/zinc/26/44/22/618264422.db2.gz	WHMMYODGOYEQQV-RQOWECAXSA-N	-1	0	271.297	2.927	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C	ZINC000077958558	618329864	/nfs/dbraw/zinc/32/98/64/618329864.db2.gz	FEXPBRAFOSOYSR-QWHCGFSZSA-N	-1	0	281.377	2.795	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(Cl)s1	ZINC000092463432	618345886	/nfs/dbraw/zinc/34/58/86/618345886.db2.gz	ILAUTRVAWIAXJC-GQCTYLIASA-N	-1	0	285.752	2.514	20	30		CFEDRM
O=C(/C=C\c1ccc(O)c(F)c1)c1ccc(O)cc1[O-]	ZINC000255850016	618357647	/nfs/dbraw/zinc/35/76/47/618357647.db2.gz	VONJGYHXPQHXPQ-KTAJNNJTSA-N	-1	0	274.247	2.839	20	30		CFEDRM
C=C1CC(C)(C(=O)NCC2(CC(=O)[O-])CCCCC2)C1	ZINC000909465072	618367829	/nfs/dbraw/zinc/36/78/29/618367829.db2.gz	WHPATDFVCNPSEA-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
Cc1cc(N=Cc2ccc(O)c(O)c2O)ccc1O	ZINC000255866186	618388885	/nfs/dbraw/zinc/38/88/85/618388885.db2.gz	JOLVVYMQRCQBLK-UHFFFAOYSA-N	-1	0	259.261	2.568	20	30		CFEDRM
C=CC[C@H](C(=O)NC[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000909484532	618411860	/nfs/dbraw/zinc/41/18/60/618411860.db2.gz	FMIRHVDUCUURIS-OCCSQVGLSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909494641	618422323	/nfs/dbraw/zinc/42/23/23/618422323.db2.gz	DBTHPWZPMSSIQP-LRDDRELGSA-N	-1	0	281.396	2.938	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)c(C)c1	ZINC000046929989	618458290	/nfs/dbraw/zinc/45/82/90/618458290.db2.gz	COQKZJXXSVBYPV-ONGXEEELSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CC(=NOCCC1CC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000814246440	618472158	/nfs/dbraw/zinc/47/21/58/618472158.db2.gz	MWXYXVKQVJMINH-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
Cc1c(Cl)cccc1C([O-])=C(C#N)C(=O)N1CCCC1	ZINC000193803990	618472492	/nfs/dbraw/zinc/47/24/92/618472492.db2.gz	YHDHAMCIDABPNA-LBPRGKRZSA-N	-1	0	290.750	2.593	20	30		CFEDRM
CCOCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000726418347	618473890	/nfs/dbraw/zinc/47/38/90/618473890.db2.gz	ZCFKJBMTJKZDFP-UHFFFAOYSA-N	-1	0	270.716	2.863	20	30		CFEDRM
COCCN(C)N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000794968335	618493050	/nfs/dbraw/zinc/49/30/50/618493050.db2.gz	ODIGMHSEUSHAKE-UHFFFAOYSA-N	-1	0	277.151	2.611	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncc(F)cn1	ZINC000814889616	618506041	/nfs/dbraw/zinc/50/60/41/618506041.db2.gz	PJCSDERLJRKLPA-UHFFFAOYSA-N	-1	0	282.319	2.829	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCOCC2)c1[O-]	ZINC000255881627	618606666	/nfs/dbraw/zinc/60/66/66/618606666.db2.gz	FXLPJGRQSZFYLL-AUWJEWJLSA-N	-1	0	284.699	2.552	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000236452656	618623528	/nfs/dbraw/zinc/62/35/28/618623528.db2.gz	SBNSTEBNTUDKJQ-FMIVXFBMSA-N	-1	0	271.316	2.917	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(OC)cc1[O-]	ZINC000092208784	618713923	/nfs/dbraw/zinc/71/39/23/618713923.db2.gz	OTRXHELUWFKJOD-VMPITWQZSA-N	-1	0	286.331	2.593	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)cc1	ZINC000119682257	618805810	/nfs/dbraw/zinc/80/58/10/618805810.db2.gz	QSQTXFPXPPREAH-ZDUSSCGKSA-N	-1	0	290.750	2.721	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(Cl)s1	ZINC000119716378	618806922	/nfs/dbraw/zinc/80/69/22/618806922.db2.gz	YFZDNADMUQGKTG-VIFPVBQESA-N	-1	0	296.779	2.783	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@]2(C)CCC[C@@H]2CC)CC1	ZINC000893033623	618810095	/nfs/dbraw/zinc/81/00/95/618810095.db2.gz	FPBOPJMSLCRCHY-GXTWGEPZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
N#Cc1ccsc1NC(=O)C1=C(C(=O)[O-])CCCC1	ZINC000311974290	618811187	/nfs/dbraw/zinc/81/11/87/618811187.db2.gz	POSUHVIZALOVSW-UHFFFAOYSA-N	-1	0	276.317	2.513	20	30		CFEDRM
CCc1c(C)sc(NC(=O)c2cocn2)c1C#N	ZINC000105373171	619091518	/nfs/dbraw/zinc/09/15/18/619091518.db2.gz	BAYVDVRVENSTHO-UHFFFAOYSA-N	-1	0	261.306	2.731	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C2/Cc3ccccc3C2=O)cc1	ZINC000107739749	619158448	/nfs/dbraw/zinc/15/84/48/619158448.db2.gz	WRXWKLIDJGNCIJ-ZROIWOOFSA-N	-1	0	294.306	2.972	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(C(F)F)cc1	ZINC000726729950	619259371	/nfs/dbraw/zinc/25/93/71/619259371.db2.gz	VQSBOJSNKZFCPS-GFCCVEGCSA-N	-1	0	292.285	2.569	20	30		CFEDRM
Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2cccs2)c1C	ZINC000048428265	619337651	/nfs/dbraw/zinc/33/76/51/619337651.db2.gz	CRKLUTXNRIYBHZ-UHFFFAOYSA-N	-1	0	299.373	2.960	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C)cc1	ZINC000048451555	619339186	/nfs/dbraw/zinc/33/91/86/619339186.db2.gz	SQVSONQBXQXFCH-UHFFFAOYSA-N	-1	0	285.365	2.777	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)cc1	ZINC000048518784	619349105	/nfs/dbraw/zinc/34/91/05/619349105.db2.gz	AASFGWPIOGGZDP-ZWNOBZJWSA-N	-1	0	281.377	2.940	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519486	619349857	/nfs/dbraw/zinc/34/98/57/619349857.db2.gz	SEVUGCJUJKZWNL-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccccc1)[C@@H]1CC=CCC1	ZINC000048519378	619349964	/nfs/dbraw/zinc/34/99/64/619349964.db2.gz	CAPYMCKXTBEZLR-CYBMUJFWSA-N	-1	0	279.361	2.829	20	30		CFEDRM
CC(=NNc1cc(C)ccn1)c1csc(C(=O)[O-])c1	ZINC000814867772	619351599	/nfs/dbraw/zinc/35/15/99/619351599.db2.gz	DWCRMYAGDSBTBK-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000909409525	619481773	/nfs/dbraw/zinc/48/17/73/619481773.db2.gz	UQQNJKCCCCFULH-ARFHVFGLSA-N	-1	0	299.370	2.758	20	30		CFEDRM
CC[C@@H](NN=C(C)C1CCC(F)(F)CC1)C(=O)[O-]	ZINC000793055684	619505475	/nfs/dbraw/zinc/50/54/75/619505475.db2.gz	OCXMSSCUNLLYSQ-SNVBAGLBSA-N	-1	0	262.300	2.641	20	30		CFEDRM
C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)C1CC1	ZINC000049135212	619535372	/nfs/dbraw/zinc/53/53/72/619535372.db2.gz	RUSUEGSAPWEXIF-VIFPVBQESA-N	-1	0	285.340	2.907	20	30		CFEDRM
C=C1CCC(C(=O)NCC2(C(=O)[O-])CCCCC2)CC1	ZINC000909524546	619565159	/nfs/dbraw/zinc/56/51/59/619565159.db2.gz	BHJGQYZSTFEKQX-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000896502163	619751207	/nfs/dbraw/zinc/75/12/07/619751207.db2.gz	DERZBFSSFMUUDT-SECBINFHSA-N	-1	0	268.719	2.920	20	30		CFEDRM
C=C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1	ZINC000909582059	619965707	/nfs/dbraw/zinc/96/57/07/619965707.db2.gz	RFWJUVIBCXGIHH-UHFFFAOYSA-N	-1	0	277.364	2.590	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909602048	619984943	/nfs/dbraw/zinc/98/49/43/619984943.db2.gz	SVTRCBPURLCKKO-DLBZAZTESA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000909602056	619984974	/nfs/dbraw/zinc/98/49/74/619984974.db2.gz	SVTRCBPURLCKKO-IAGOWNOFSA-N	-1	0	289.375	2.747	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccccc1	ZINC000088800684	620006352	/nfs/dbraw/zinc/00/63/52/620006352.db2.gz	ZLDMSVXNBZIGLZ-UHFFFAOYSA-N	-1	0	265.334	2.583	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NCC1(C(=O)[O-])CC1	ZINC000909646345	620016078	/nfs/dbraw/zinc/01/60/78/620016078.db2.gz	WQNWDNXRTOVHJK-UHFFFAOYSA-N	-1	0	291.372	2.559	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1nc(C)c(C#N)cc1Cl)C(=O)[O-]	ZINC000263399540	620139884	/nfs/dbraw/zinc/13/98/84/620139884.db2.gz	ILQORHQHZJAOBY-CPCISQLKSA-N	-1	0	281.743	2.826	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000864186526	620205497	/nfs/dbraw/zinc/20/54/97/620205497.db2.gz	RFGDZNWXFIZFJQ-SNVBAGLBSA-N	-1	0	287.768	2.691	20	30		CFEDRM
C[C@H]1CC2(CC(/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)CO1	ZINC000899231612	620533668	/nfs/dbraw/zinc/53/36/68/620533668.db2.gz	SLTZMKSUXNNQEH-NMWOSCQFSA-N	-1	0	290.319	2.677	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)C2CCCCC2)cn1	ZINC000899345690	620547359	/nfs/dbraw/zinc/54/73/59/620547359.db2.gz	RRCFHKXQCGLMEY-CLFYSBASSA-N	-1	0	259.305	2.942	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2ncccc2C(F)(F)F)[n-]1	ZINC000899347196	620547676	/nfs/dbraw/zinc/54/76/76/620547676.db2.gz	MLKCYLXLVDEVFF-UHFFFAOYSA-N	-1	0	281.237	2.607	20	30		CFEDRM
N#Cc1cccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)c1	ZINC000899347501	620547881	/nfs/dbraw/zinc/54/78/81/620547881.db2.gz	WOCRFZCZAVLTAN-LLVKDONJSA-N	-1	0	293.248	2.849	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1cc(F)ccc1[O-])CCC2	ZINC000899361650	620552930	/nfs/dbraw/zinc/55/29/30/620552930.db2.gz	AKWCPJKEHBXGLM-SOFGYWHQSA-N	-1	0	286.306	2.650	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(C2CC2)n1	ZINC000899362650	620553721	/nfs/dbraw/zinc/55/37/21/620553721.db2.gz	ZCAKIYYYBPGXOW-CMDGGOBGSA-N	-1	0	268.316	2.899	20	30		CFEDRM
Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])co2)cnn1C(C)C	ZINC000899368602	620555455	/nfs/dbraw/zinc/55/54/55/620555455.db2.gz	KJJXHCMDVIQOCH-SNAWJCMRSA-N	-1	0	288.303	2.960	20	30		CFEDRM
O=C([O-])c1cncc(C(=O)/C=C\c2ccnn2C2CCC2)c1	ZINC000899390253	620557836	/nfs/dbraw/zinc/55/78/36/620557836.db2.gz	WCKGEODLNXBOFV-PLNGDYQASA-N	-1	0	297.314	2.597	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1c([O-])cccc1F)CCC2	ZINC000899389345	620557928	/nfs/dbraw/zinc/55/79/28/620557928.db2.gz	HMFSNPCBYWDLBV-CMDGGOBGSA-N	-1	0	286.306	2.650	20	30		CFEDRM
O=C([O-])c1ccc(/C=C\C(=O)c2ccnn2C2CCC2)cn1	ZINC000899400928	620560839	/nfs/dbraw/zinc/56/08/39/620560839.db2.gz	ORANDVVJESMZNB-ALCCZGGFSA-N	-1	0	297.314	2.597	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899795094	620600927	/nfs/dbraw/zinc/60/09/27/620600927.db2.gz	SPCVAHJDEURGOB-LBPRGKRZSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899814153	620602224	/nfs/dbraw/zinc/60/22/24/620602224.db2.gz	NAGDAPDXSGFKBD-TZMCWYRMSA-N	-1	0	275.348	2.634	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)C1	ZINC000899825724	620603910	/nfs/dbraw/zinc/60/39/10/620603910.db2.gz	OWLCSLKFNKRCOE-KBPBESRZSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899828885	620604843	/nfs/dbraw/zinc/60/48/43/620604843.db2.gz	ARKDVGMIQSNMNJ-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899830301	620605189	/nfs/dbraw/zinc/60/51/89/620605189.db2.gz	HGHHAMDDPZUNBE-STQMWFEESA-N	-1	0	267.369	2.691	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])c1	ZINC000899854035	620606669	/nfs/dbraw/zinc/60/66/69/620606669.db2.gz	FKJWSYNPTKHVSS-WDEREUQCSA-N	-1	0	277.320	2.536	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000899854029	620606726	/nfs/dbraw/zinc/60/67/26/620606726.db2.gz	FJBQMGRCDCFUGF-AWEZNQCLSA-N	-1	0	281.377	2.561	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc1	ZINC000899856878	620607020	/nfs/dbraw/zinc/60/70/20/620607020.db2.gz	XDZQCJPGQWRSJT-ZDUSSCGKSA-N	-1	0	273.332	2.743	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1CCC1	ZINC000042301868	620620376	/nfs/dbraw/zinc/62/03/76/620620376.db2.gz	UHMPLWLUABDBNQ-UHFFFAOYSA-N	-1	0	273.741	2.785	20	30		CFEDRM
C=CCC[C@H](CC)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000901558797	620857034	/nfs/dbraw/zinc/85/70/34/620857034.db2.gz	FBISIXRABNFSAY-ZDUSSCGKSA-N	-1	0	290.363	2.658	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cn(C)nc1C1CCCCC1	ZINC000901585947	620862683	/nfs/dbraw/zinc/86/26/83/620862683.db2.gz	FXDQDWGPXNFNNI-UHFFFAOYSA-N	-1	0	291.395	2.540	20	30		CFEDRM
N#CC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCCC1	ZINC000901574173	620866890	/nfs/dbraw/zinc/86/68/90/620866890.db2.gz	VGAPZRUXZGWTIJ-CYBMUJFWSA-N	-1	0	292.379	2.564	20	30		CFEDRM
CCCCCCCCCNC(=O)c1cc(C(=O)[O-])nn1C	ZINC000901765490	620910727	/nfs/dbraw/zinc/91/07/27/620910727.db2.gz	DXEUUGMOHVRKAY-UHFFFAOYSA-N	-1	0	295.383	2.599	20	30		CFEDRM
C=CCCC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000902023362	620953481	/nfs/dbraw/zinc/95/34/81/620953481.db2.gz	VXUHZTNEFUZUOZ-HIFRSBDPSA-N	-1	0	289.375	2.963	20	30		CFEDRM
CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000902702796	621155766	/nfs/dbraw/zinc/15/57/66/621155766.db2.gz	SGQUXWNMYCCYFD-AWEZNQCLSA-N	-1	0	286.331	2.731	20	30		CFEDRM
CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(CCC#N)cc1	ZINC000902839503	621188518	/nfs/dbraw/zinc/18/85/18/621188518.db2.gz	SLYSCGNJQDPCKC-ZDUSSCGKSA-N	-1	0	288.347	2.828	20	30		CFEDRM
N#Cc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1	ZINC000904189140	621545930	/nfs/dbraw/zinc/54/59/30/621545930.db2.gz	BSWNOLBMKIDLSL-CHWSQXEVSA-N	-1	0	271.320	2.549	20	30		CFEDRM
N#CCc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1	ZINC000904231829	621553386	/nfs/dbraw/zinc/55/33/86/621553386.db2.gz	NIDBLDFMQUFOQZ-UONOGXRCSA-N	-1	0	285.347	2.743	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1nc(C)c(C)s1)C(=O)[O-]	ZINC000905015112	621681786	/nfs/dbraw/zinc/68/17/86/621681786.db2.gz	DWOCQGNRAGPSIO-JTQLQIEISA-N	-1	0	297.380	2.691	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000905017888	621682236	/nfs/dbraw/zinc/68/22/36/621682236.db2.gz	QPYQWIFDVWFZRC-GFCCVEGCSA-N	-1	0	298.289	2.896	20	30		CFEDRM
CC1(C)CCc2sc(NC(=O)CCC(=O)[O-])c(C#N)c21	ZINC000905129807	621707293	/nfs/dbraw/zinc/70/72/93/621707293.db2.gz	LAUHDDMMZKFFPP-UHFFFAOYSA-N	-1	0	292.360	2.647	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000905268288	621729854	/nfs/dbraw/zinc/72/98/54/621729854.db2.gz	HAGCKUZGRTYZSS-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCC[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000905507968	621783714	/nfs/dbraw/zinc/78/37/14/621783714.db2.gz	AMBNEINRENLKBJ-OCCSQVGLSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCn1ncc2ccc(N[C@H](C)[C@@H]3C[C@@H]3C(=O)[O-])cc21	ZINC000905751021	621832447	/nfs/dbraw/zinc/83/24/47/621832447.db2.gz	HIAVFHJDLQXLSU-SWHYSGLUSA-N	-1	0	285.347	2.743	20	30		CFEDRM
N#Cc1c([N-]S(=O)(=O)c2ccoc2)sc2c1CCC2	ZINC000906074445	621929035	/nfs/dbraw/zinc/92/90/35/621929035.db2.gz	VKPBHLQHRFROCJ-UHFFFAOYSA-N	-1	0	294.357	2.502	20	30		CFEDRM
Cc1cc2c(cc1C)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)O2	ZINC000832905608	625537624	/nfs/dbraw/zinc/53/76/24/625537624.db2.gz	IRYMYYVMSDJVLH-MKMNVTDBSA-N	-1	0	283.283	2.946	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)c2cc(C(=O)[O-])co2)c1	ZINC000183809892	625543674	/nfs/dbraw/zinc/54/36/74/625543674.db2.gz	LSBPVYJMGNZBBL-UHFFFAOYSA-N	-1	0	283.283	2.626	20	30		CFEDRM
C=CC1(CC(=O)N[C@](C)(COC)CC(=O)[O-])CCCCC1	ZINC000907609361	622138903	/nfs/dbraw/zinc/13/89/03/622138903.db2.gz	BLAYLAXWXMSEAP-HNNXBMFYSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000907580883	622139259	/nfs/dbraw/zinc/13/92/59/622139259.db2.gz	AKIJJEINQNVDDZ-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1	ZINC000907584714	622139954	/nfs/dbraw/zinc/13/99/54/622139954.db2.gz	LPNAHHNMCBGSNF-CABCVRRESA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1	ZINC000907605167	622142143	/nfs/dbraw/zinc/14/21/43/622142143.db2.gz	WGOHNNJVYADWLT-NHYWBVRUSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=CC1(CC(=O)NC[C@@H](C)CC(=O)[O-])CCCCC1	ZINC000907627737	622143289	/nfs/dbraw/zinc/14/32/89/622143289.db2.gz	HEJAFKVMTXLGCL-LBPRGKRZSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000907632929	622144748	/nfs/dbraw/zinc/14/47/48/622144748.db2.gz	HCOAKZKVMDUZSD-MRVPVSSYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000907662892	622148714	/nfs/dbraw/zinc/14/87/14/622148714.db2.gz	ZLXUUMLAKVIKTO-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000907678115	622150629	/nfs/dbraw/zinc/15/06/29/622150629.db2.gz	ZIWSGKGPTHTVQH-GFCCVEGCSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000907646429	622151103	/nfs/dbraw/zinc/15/11/03/622151103.db2.gz	SBPFJZXZEVQOAQ-GUYCJALGSA-N	-1	0	289.375	2.747	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1	ZINC000907739264	622155361	/nfs/dbraw/zinc/15/53/61/622155361.db2.gz	UHXHMLWLTYWRQB-MGPQQGTHSA-N	-1	0	273.332	2.531	20	30		CFEDRM
C=CC1(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])CCCCC1	ZINC000907753102	622159038	/nfs/dbraw/zinc/15/90/38/622159038.db2.gz	CKBHTCTVNIFDBZ-RYUDHWBXSA-N	-1	0	283.343	2.537	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1c(C)nn(CCC(=O)[O-])c1C	ZINC000907747928	622162256	/nfs/dbraw/zinc/16/22/56/622162256.db2.gz	KOLYQPVPMAKPHN-LBPRGKRZSA-N	-1	0	293.367	2.515	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000907780132	622162965	/nfs/dbraw/zinc/16/29/65/622162965.db2.gz	DKFPODSOBIHXQR-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000907853284	622166969	/nfs/dbraw/zinc/16/69/69/622166969.db2.gz	JQENVCACSGKSKM-WFASDCNBSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907982141	622181367	/nfs/dbraw/zinc/18/13/67/622181367.db2.gz	BNDBTTZBLADHDP-NSHDSACASA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907982140	622181551	/nfs/dbraw/zinc/18/15/51/622181551.db2.gz	BNDBTTZBLADHDP-LLVKDONJSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2c1cccc2C(=O)[O-]	ZINC000907985443	622182328	/nfs/dbraw/zinc/18/23/28/622182328.db2.gz	SWEHRHWLHXZSGR-UHFFFAOYSA-N	-1	0	273.332	2.876	20	30		CFEDRM
C=CCCCN(CC)C(=O)C1(C(=O)[O-])CC2(CCC2)C1	ZINC000908219798	622202644	/nfs/dbraw/zinc/20/26/44/622202644.db2.gz	KQCVWDABGFEBQZ-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908287623	622213200	/nfs/dbraw/zinc/21/32/00/622213200.db2.gz	GGVAHSMPATXJFW-LBPRGKRZSA-N	-1	0	267.369	2.596	20	30		CFEDRM
CC[C@@H](C)CO[N-]C(=O)[C@@]1(C#N)CC2CCC1CC2	ZINC000908351469	622219136	/nfs/dbraw/zinc/21/91/36/622219136.db2.gz	GFIHZSKRBLRPJU-XZNOPERXSA-N	-1	0	264.369	2.800	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NCCCCC1(C(=O)[O-])CCC1	ZINC000908327877	622220473	/nfs/dbraw/zinc/22/04/73/622220473.db2.gz	HYVBEIVWGLKNLO-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1nc(C(C)C)cs1)C(=O)[O-]	ZINC000908647209	622254071	/nfs/dbraw/zinc/25/40/71/622254071.db2.gz	UVGAAORUFIFIMB-SECBINFHSA-N	-1	0	297.380	2.807	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ncc(CCC)s1)C(=O)[O-]	ZINC000908670648	622258515	/nfs/dbraw/zinc/25/85/15/622258515.db2.gz	RBUDESOHUVBVDX-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@@H](CC)C(=O)[O-])c1	ZINC000908775963	622272029	/nfs/dbraw/zinc/27/20/29/622272029.db2.gz	MGQIJWCFNXWFPS-CYBMUJFWSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000908975581	622291846	/nfs/dbraw/zinc/29/18/46/622291846.db2.gz	RFJXYCHNMAYGQG-SFHVURJKSA-N	-1	0	299.370	2.775	20	30		CFEDRM
C=CCC1(CNC(=O)N([C@H](C)C(=O)[O-])C2CC2)CCCC1	ZINC000909024634	622302394	/nfs/dbraw/zinc/30/23/94/622302394.db2.gz	HNYSWOIZJYEKEU-GFCCVEGCSA-N	-1	0	294.395	2.770	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000909223228	622328947	/nfs/dbraw/zinc/32/89/47/622328947.db2.gz	PDWIDQGETGKFTC-MRXNPFEDSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000909237229	622330690	/nfs/dbraw/zinc/33/06/90/622330690.db2.gz	GIBDMZRSXAJVKI-AWEZNQCLSA-N	-1	0	289.375	2.567	20	30		CFEDRM
C#CCC1(C(=O)NC[C@H](CC2CC2)C(=O)[O-])CCCCC1	ZINC000909880453	622364376	/nfs/dbraw/zinc/36/43/76/622364376.db2.gz	GVXBTXJOPUYQJH-AWEZNQCLSA-N	-1	0	291.391	2.577	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000909987395	622380676	/nfs/dbraw/zinc/38/06/76/622380676.db2.gz	SXGUWWRYWOLKNN-OAHLLOKOSA-N	-1	0	279.311	2.742	20	30		CFEDRM
C#CC[C@@H](NC(=O)[C@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC000910055065	622392587	/nfs/dbraw/zinc/39/25/87/622392587.db2.gz	WYJIGVQKQAJWTN-ZIAGYGMSSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910095139	622404862	/nfs/dbraw/zinc/40/48/62/622404862.db2.gz	OMQADPBWQLJMNL-CYBMUJFWSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910153533	622407194	/nfs/dbraw/zinc/40/71/94/622407194.db2.gz	AXFDXRXSLHSKGW-MAZHCROVSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910153273	622407350	/nfs/dbraw/zinc/40/73/50/622407350.db2.gz	ZHFSRUVMOMCESC-LRDDRELGSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000910201030	622409285	/nfs/dbraw/zinc/40/92/85/622409285.db2.gz	PLKGDTAZYTWZDD-LSDHHAIUSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1	ZINC000910232928	622414597	/nfs/dbraw/zinc/41/45/97/622414597.db2.gz	LMUNCVBFPPQGDB-VIFPVBQESA-N	-1	0	295.310	2.828	20	30		CFEDRM
C#CCCCCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000910232749	622414729	/nfs/dbraw/zinc/41/47/29/622414729.db2.gz	GEEXUZDWZREVFY-AWEZNQCLSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000910246878	622418574	/nfs/dbraw/zinc/41/85/74/622418574.db2.gz	NYVSAIFQLFWKRH-FRRDWIJNSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C#CCC1(C(=O)NCc2cc(C(=O)[O-])co2)CCCCC1	ZINC000910310425	622428713	/nfs/dbraw/zinc/42/87/13/622428713.db2.gz	DFGIEUITBZFIRF-UHFFFAOYSA-N	-1	0	289.331	2.568	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910290982	622430179	/nfs/dbraw/zinc/43/01/79/622430179.db2.gz	ATZKQEOQBBSFLN-MROQNXINSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000910383006	622439338	/nfs/dbraw/zinc/43/93/38/622439338.db2.gz	UJEBABJERKENDU-GJZGRUSLSA-N	-1	0	287.359	2.716	20	30		CFEDRM
N#Cc1cccc(N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1	ZINC000910458646	622446590	/nfs/dbraw/zinc/44/65/90/622446590.db2.gz	YNMFTTPKVZSSIR-UKRRQHHQSA-N	-1	0	299.374	2.813	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000910645193	622463719	/nfs/dbraw/zinc/46/37/19/622463719.db2.gz	XGEULRNGUQOPMS-ZDUSSCGKSA-N	-1	0	282.365	2.701	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(F)cc1C)C(=O)[O-]	ZINC000910912902	622485644	/nfs/dbraw/zinc/48/56/44/622485644.db2.gz	QBINVCQVWJEVGA-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)[O-]	ZINC000910914610	622486060	/nfs/dbraw/zinc/48/60/60/622486060.db2.gz	JCFHYYBBPAJXJM-CQSZACIVSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)cs1)C(=O)[O-]	ZINC000910914824	622486136	/nfs/dbraw/zinc/48/61/36/622486136.db2.gz	LAROHHQBLXKAKT-SNVBAGLBSA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ncsc1C(C)C)C(=O)[O-]	ZINC000910916825	622486678	/nfs/dbraw/zinc/48/66/78/622486678.db2.gz	IVDPMSQBYNYAQY-JTQLQIEISA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CCc1cccs1)C(=O)[O-]	ZINC000910919628	622487128	/nfs/dbraw/zinc/48/71/28/622487128.db2.gz	ZBIGIFKQHYZPRB-GFCCVEGCSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)[C@@H]1CCCCO1)C(=O)[O-]	ZINC000910921648	622487636	/nfs/dbraw/zinc/48/76/36/622487636.db2.gz	DNZJCRFOZAKVIG-STQMWFEESA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C\C1CCCC1)C(=O)[O-]	ZINC000910925686	622488345	/nfs/dbraw/zinc/48/83/45/622488345.db2.gz	NOGPULRIUPLTAL-BSYHEUMXSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc(F)c1C)C(=O)[O-]	ZINC000910926901	622488698	/nfs/dbraw/zinc/48/86/98/622488698.db2.gz	VSCGITNRPKMODS-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911066242	622502869	/nfs/dbraw/zinc/50/28/69/622502869.db2.gz	GPZMXSSMOGLKJG-KBPBESRZSA-N	-1	0	289.331	2.613	20	30		CFEDRM
Cc1cc(NC(=O)C2(C#N)CCCC2)cc(C(=O)[O-])c1	ZINC000911069535	622503360	/nfs/dbraw/zinc/50/33/60/622503360.db2.gz	AYMCOOWEOHTUIA-UHFFFAOYSA-N	-1	0	272.304	2.716	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911073300	622504158	/nfs/dbraw/zinc/50/41/58/622504158.db2.gz	QGXOPLHOXHGOFD-INIZCTEOSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1	ZINC000911340071	622518760	/nfs/dbraw/zinc/51/87/60/622518760.db2.gz	UPARXOZKUWPZTJ-UHFFFAOYSA-N	-1	0	297.354	2.666	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000911612451	622530347	/nfs/dbraw/zinc/53/03/47/622530347.db2.gz	UOHZEJFRZSYGSG-SNVBAGLBSA-N	-1	0	279.723	2.570	20	30		CFEDRM
C#CCCCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC000911738418	622545914	/nfs/dbraw/zinc/54/59/14/622545914.db2.gz	SGPSGGIREKEAIL-UHFFFAOYSA-N	-1	0	289.331	2.914	20	30		CFEDRM
CC[C@@H](NN=C1CC(C)(C)Oc2ccc(F)cc21)C(=O)[O-]	ZINC000819813768	622561605	/nfs/dbraw/zinc/56/16/05/622561605.db2.gz	SLCGZRFCGCVLAF-LLVKDONJSA-N	-1	0	294.326	2.544	20	30		CFEDRM
Cc1nc(C)c(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000821038321	622829271	/nfs/dbraw/zinc/82/92/71/622829271.db2.gz	IBBQYDLMOUPQFT-WAYWQWQTSA-N	-1	0	288.259	2.801	20	30		CFEDRM
Cc1cc(F)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000157204064	623013437	/nfs/dbraw/zinc/01/34/37/623013437.db2.gz	YRGLUJWAKHKDRA-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)o1	ZINC000046928059	623105028	/nfs/dbraw/zinc/10/50/28/623105028.db2.gz	ZRTDGLSKCUTMSI-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000823369029	623299664	/nfs/dbraw/zinc/29/96/64/623299664.db2.gz	OJPNQGAYBGEIEM-FZMZJTMJSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000823368959	623299868	/nfs/dbraw/zinc/29/98/68/623299868.db2.gz	GYXBHTZUFGHDJR-GLGOKHISSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2cccc(Cl)c2C#N)C1	ZINC000062933047	623307287	/nfs/dbraw/zinc/30/72/87/623307287.db2.gz	SPJRDCUUPCGGDO-ZDUSSCGKSA-N	-1	0	264.712	2.513	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Nc1cccnc1Cl	ZINC000824232432	623473314	/nfs/dbraw/zinc/47/33/14/623473314.db2.gz	JCGPHIBCUZERRG-NXEZZACHSA-N	-1	0	283.759	2.548	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1cc(Cl)ccc1C	ZINC000824232754	623473638	/nfs/dbraw/zinc/47/36/38/623473638.db2.gz	MQZFUJCBAFVRQN-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
CCC(CC)CNN=C1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814906084	623482514	/nfs/dbraw/zinc/48/25/14/623482514.db2.gz	FDTKMLCZZYDKMA-PWSUYJOCSA-N	-1	0	254.374	2.889	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1ccc(C(=O)OCC)cc1O	ZINC000184843421	625656794	/nfs/dbraw/zinc/65/67/94/625656794.db2.gz	KOVJNIZIJOZDJT-UHFFFAOYSA-N	-1	0	289.331	2.557	20	30		CFEDRM
CC[C@@H](C)NN=C(C)c1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000814912856	623902206	/nfs/dbraw/zinc/90/22/06/623902206.db2.gz	CACGTLZADFXAEV-ZYHUDNBSSA-N	-1	0	278.352	2.651	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000193368514	623985572	/nfs/dbraw/zinc/98/55/72/623985572.db2.gz	PYOSMENLAWNJPG-CQSZACIVSA-N	-1	0	272.348	2.624	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccccc2OCC#N)n1	ZINC000193595113	624058165	/nfs/dbraw/zinc/05/81/65/624058165.db2.gz	JXBCSZVELRMGIB-LBPRGKRZSA-N	-1	0	297.339	2.844	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1	ZINC000837045128	624080384	/nfs/dbraw/zinc/08/03/84/624080384.db2.gz	XMUVRPFRPPDFIZ-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1	ZINC000837045120	624081079	/nfs/dbraw/zinc/08/10/79/624081079.db2.gz	XMUVRPFRPPDFIZ-MRVPVSSYSA-N	-1	0	290.146	2.995	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNCc1cccc(F)c1	ZINC000915965352	624203803	/nfs/dbraw/zinc/20/38/03/624203803.db2.gz	NDNPBTNLGGYLJC-UHFFFAOYSA-N	-1	0	272.279	2.648	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2cccnc2)cc1	ZINC000915991211	624205107	/nfs/dbraw/zinc/20/51/07/624205107.db2.gz	ZWNQSTDKSRGLEC-YVMONPNESA-N	-1	0	267.284	2.605	20	30		CFEDRM
N#Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000916255239	624231143	/nfs/dbraw/zinc/23/11/43/624231143.db2.gz	LLWQWJHITCPZEG-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
CC(=NNc1nnc(C)c(=O)[n-]1)c1oc2ccccc2c1C	ZINC000916283031	624232944	/nfs/dbraw/zinc/23/29/44/624232944.db2.gz	XQKAHZFSCLXOHE-UHFFFAOYSA-N	-1	0	297.318	2.776	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(F)cc2)c1	ZINC000916268255	624233608	/nfs/dbraw/zinc/23/36/08/624233608.db2.gz	TYNMPOWWIAYWPD-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
CCCCc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1	ZINC000916944952	624294580	/nfs/dbraw/zinc/29/45/80/624294580.db2.gz	DAZYWRIPHOCRQT-HNNXBMFYSA-N	-1	0	286.375	2.876	20	30		CFEDRM
CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(Cl)cc1	ZINC000917555513	624359510	/nfs/dbraw/zinc/35/95/10/624359510.db2.gz	SYKNKRBELKRQJF-UHFFFAOYSA-N	-1	0	286.726	2.842	20	30		CFEDRM
CCC[C@@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919231868	624538843	/nfs/dbraw/zinc/53/88/43/624538843.db2.gz	ZMQCMKHYQFEPEC-MWLCHTKSSA-N	-1	0	294.376	2.607	20	30		CFEDRM
C[C@@H](NN=Cc1ccccc1OCC(=O)[O-])c1ccccc1	ZINC000920386271	624717060	/nfs/dbraw/zinc/71/70/60/624717060.db2.gz	VSQCIWJJKLGGFN-CYBMUJFWSA-N	-1	0	298.342	2.835	20	30		CFEDRM
Cc1cc(=O)[nH]c(NN=Cc2ccc(Cl)c(F)c2)n1	ZINC000921255350	624826749	/nfs/dbraw/zinc/82/67/49/624826749.db2.gz	ZGEBJBVUCNVBAR-UHFFFAOYSA-N	-1	0	280.690	2.729	20	30		CFEDRM
Cc1cc(C)cc(C=NNc2nc(C)cc(=O)[nH]2)c1	ZINC000921253104	624827461	/nfs/dbraw/zinc/82/74/61/624827461.db2.gz	IPVQYCUUWHSVJA-UHFFFAOYSA-N	-1	0	256.309	2.553	20	30		CFEDRM
C=C1CCC(CNC(=O)c2n[n-]c3ccccc3c2=O)CC1	ZINC000830998149	624950479	/nfs/dbraw/zinc/95/04/79/624950479.db2.gz	LVESLIVAGFNHSF-UHFFFAOYSA-N	-1	0	297.358	2.812	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc3ccccn3c2)c1	ZINC000179736990	624975637	/nfs/dbraw/zinc/97/56/37/624975637.db2.gz	ABQSSMUUWMLNBM-UHFFFAOYSA-N	-1	0	277.283	2.769	20	30		CFEDRM
CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179740828	624975719	/nfs/dbraw/zinc/97/57/19/624975719.db2.gz	MFVCGKUWQQPECF-OAHLLOKOSA-N	-1	0	288.347	2.940	20	30		CFEDRM
O=C(/C=C/c1cccc2nccn21)c1ccccc1[O-]	ZINC000180315397	625013138	/nfs/dbraw/zinc/01/31/38/625013138.db2.gz	SRKFJHUWGXKSIQ-CMDGGOBGSA-N	-1	0	264.284	2.936	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)CC	ZINC000181871353	625225638	/nfs/dbraw/zinc/22/56/38/625225638.db2.gz	ZZBBQTONEFFMKP-LBPRGKRZSA-N	-1	0	277.430	2.982	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000073087356	625772293	/nfs/dbraw/zinc/77/22/93/625772293.db2.gz	YLDIESPNFXNGCR-UHFFFAOYSA-N	-1	0	273.741	2.951	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000851601238	634451647	/nfs/dbraw/zinc/45/16/47/634451647.db2.gz	JSNDHXBXCRLVKF-BBRMVZONSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1	ZINC000851616526	634457705	/nfs/dbraw/zinc/45/77/05/634457705.db2.gz	QDLZUDZGFBRLGJ-SHARSMKWSA-N	-1	0	291.391	2.529	20	30		CFEDRM
CC(=NOCC1CC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814941287	625929240	/nfs/dbraw/zinc/92/92/40/625929240.db2.gz	UTICYKVJRNGITM-NEPJUHHUSA-N	-1	0	253.342	2.926	20	30		CFEDRM
CC[C@@H](NN=C1CCCC12CCCCC2)C(=O)[O-]	ZINC000834980748	625944827	/nfs/dbraw/zinc/94/48/27/625944827.db2.gz	CMGJLSDFNPKIIM-LLVKDONJSA-N	-1	0	252.358	2.930	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@H](C)C(F)(F)F	ZINC000834998285	625948285	/nfs/dbraw/zinc/94/82/85/625948285.db2.gz	DZIIPTMZSSYKEH-SECBINFHSA-N	-1	0	288.269	2.876	20	30		CFEDRM
COC(=O)C(C)(C)CCN=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009266	625955957	/nfs/dbraw/zinc/95/59/57/625955957.db2.gz	PCAAOUDMDXDJID-UHFFFAOYSA-N	-1	0	296.298	2.511	20	30		CFEDRM
Cc1ccc(CNN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)cc1	ZINC000835009173	625956206	/nfs/dbraw/zinc/95/62/06/625956206.db2.gz	SJIOQDYFDXPDPI-GXTWGEPZSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835009496	625956227	/nfs/dbraw/zinc/95/62/27/625956227.db2.gz	UIYAVTCUZBCXCP-CYBMUJFWSA-N	-1	0	268.288	2.737	20	30		CFEDRM
CO[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009884	625957140	/nfs/dbraw/zinc/95/71/40/625957140.db2.gz	GSMLKDACTZLCOF-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC2CCOCC2)c(F)c1	ZINC000835011340	625957907	/nfs/dbraw/zinc/95/79/07/625957907.db2.gz	DUMVFEZZHZWFEH-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CCO1	ZINC000835011058	625957979	/nfs/dbraw/zinc/95/79/79/625957979.db2.gz	AWLJBEKONVNJJW-NSHDSACASA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@@H]1C(N=Nc2ncc(F)cc2F)CC[C@H]1CC(=O)[O-]	ZINC000835023621	625968099	/nfs/dbraw/zinc/96/80/99/625968099.db2.gz	MDYXSRNMQNLBTJ-YUMQZZPRSA-N	-1	0	283.278	2.649	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000923059164	626447098	/nfs/dbraw/zinc/44/70/98/626447098.db2.gz	CFWJAPJESCKFNY-UHFFFAOYSA-N	-1	0	284.315	2.716	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000923067212	626448861	/nfs/dbraw/zinc/44/88/61/626448861.db2.gz	SVBFUTZQNJNRHR-UHFFFAOYSA-N	-1	0	278.283	2.792	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000923075096	626449066	/nfs/dbraw/zinc/44/90/66/626449066.db2.gz	HWTWEQJSYMUICO-BZNIZROVSA-N	-1	0	288.347	2.828	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000923084013	626449596	/nfs/dbraw/zinc/44/95/96/626449596.db2.gz	VOERYICZFMKKLR-BONVTDFDSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C#N)CCC2)c1	ZINC000923083271	626449661	/nfs/dbraw/zinc/44/96/61/626449661.db2.gz	NEKHIDUKLGBTIT-SNVBAGLBSA-N	-1	0	272.304	2.507	20	30		CFEDRM
Cc1sc(C(=O)[O-])cc1NC(=O)C1(C#N)CCCC1	ZINC000923090617	626450273	/nfs/dbraw/zinc/45/02/73/626450273.db2.gz	IIXBUIPOKSATHO-UHFFFAOYSA-N	-1	0	278.333	2.777	20	30		CFEDRM
Cc1sc(C(=O)[O-])cc1NC(=O)C1(C#N)CC2(CC2)C1	ZINC000923097147	626450976	/nfs/dbraw/zinc/45/09/76/626450976.db2.gz	AEPFBNGWYPCIIB-UHFFFAOYSA-N	-1	0	290.344	2.777	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccsc1C(F)F)C(=O)[O-]	ZINC000923105210	626451562	/nfs/dbraw/zinc/45/15/62/626451562.db2.gz	OWMATAKGHYHJGV-QMMMGPOBSA-N	-1	0	289.303	2.835	20	30		CFEDRM
CC/C(C)=C\C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000838042348	626484540	/nfs/dbraw/zinc/48/45/40/626484540.db2.gz	WPCWKWODINVXEJ-YOOZJCNJSA-N	-1	0	292.360	2.527	20	30		CFEDRM
N#Cc1ccccc1/C=C/C(=O)c1cc(O)ccc1[O-]	ZINC000121328506	626487383	/nfs/dbraw/zinc/48/73/83/626487383.db2.gz	DJAZXIQNPSVVLW-FNORWQNLSA-N	-1	0	265.268	2.866	20	30		CFEDRM
O=C([O-])COc1ccc(C=NOCc2ccccc2)cc1	ZINC000839419875	626535818	/nfs/dbraw/zinc/53/58/18/626535818.db2.gz	UAIRRUWVDWTZHK-UHFFFAOYSA-N	-1	0	285.299	2.701	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(F)F)CCC2)c1	ZINC000867012639	626537800	/nfs/dbraw/zinc/53/78/00/626537800.db2.gz	HPWUOUQZLABKLF-UHFFFAOYSA-N	-1	0	266.247	2.638	20	30		CFEDRM
CC(=NNc1ccccc1)c1cc(C(=O)[O-])ccc1O	ZINC000757451672	626552296	/nfs/dbraw/zinc/55/22/96/626552296.db2.gz	XIXAWOIIHBSONW-UHFFFAOYSA-N	-1	0	270.288	2.927	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C/C(=O)c1ccccc1[O-]	ZINC000757476710	626553362	/nfs/dbraw/zinc/55/33/62/626553362.db2.gz	ZCWXQRURSRAPQV-BQYQJAHWSA-N	-1	0	276.723	2.984	20	30		CFEDRM
CC(C)(C)c1noc(C=NNc2ccccc2C(=O)[O-])n1	ZINC000758095817	626576154	/nfs/dbraw/zinc/57/61/54/626576154.db2.gz	IGBBJVWMAVOVLJ-UHFFFAOYSA-N	-1	0	288.307	2.511	20	30		CFEDRM
Cc1nnc(C)n1N=Cc1cc(Cl)c([O-])cc1Cl	ZINC000758095413	626576317	/nfs/dbraw/zinc/57/63/17/626576317.db2.gz	KGBIRPJHZBQKSJ-UHFFFAOYSA-N	-1	0	285.134	2.790	20	30		CFEDRM
CC[C@H]1CCCC1=NNc1cnnc([O-])c1Cl	ZINC000758374246	626590228	/nfs/dbraw/zinc/59/02/28/626590228.db2.gz	PQXMWMSYYYTXOH-ZETCQYMHSA-N	-1	0	254.721	2.814	20	30		CFEDRM
COCCCC(C)N=Nc1ccc(C(=O)[O-])cc1	ZINC000759179848	626633342	/nfs/dbraw/zinc/63/33/42/626633342.db2.gz	RHSZCNBWUXQHDT-UHFFFAOYSA-N	-1	0	250.298	2.599	20	30		CFEDRM
N#Cc1cnc(NC(=O)c2cc(Cl)ccc2[O-])s1	ZINC000759634922	626678372	/nfs/dbraw/zinc/67/83/72/626678372.db2.gz	WXCGENZQINWXMA-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2c(F)cccc2F)c1	ZINC000759720461	626686847	/nfs/dbraw/zinc/68/68/47/626686847.db2.gz	GMMDSCZMJFJUPE-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2[nH]1	ZINC000762067716	626886073	/nfs/dbraw/zinc/88/60/73/626886073.db2.gz	YCSHWOQRVVMBQC-UHFFFAOYSA-N	-1	0	292.722	2.534	20	30		CFEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763369278	626983675	/nfs/dbraw/zinc/98/36/75/626983675.db2.gz	UYJULGGFTPFYKT-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cc(F)cc(F)c2)nc1	ZINC000763372014	626983691	/nfs/dbraw/zinc/98/36/91/626983691.db2.gz	PAZLDDCLGSDGAF-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
CC(C)c1ncc(CN=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763371605	626983824	/nfs/dbraw/zinc/98/38/24/626983824.db2.gz	FXBVLNKKDPWZLY-UHFFFAOYSA-N	-1	0	290.348	2.806	20	30		CFEDRM
Cc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CC2	ZINC000763376785	626984007	/nfs/dbraw/zinc/98/40/07/626984007.db2.gz	GWQVUURVHHBJIO-UHFFFAOYSA-N	-1	0	281.315	2.851	20	30		CFEDRM
CC(=NNc1ccc(F)cn1)c1cccc(C(=O)[O-])c1	ZINC000764685534	627084566	/nfs/dbraw/zinc/08/45/66/627084566.db2.gz	ALOUXCFQILYNKO-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)n[nH]c2C=NNc1ccccc1	ZINC000765542810	627146209	/nfs/dbraw/zinc/14/62/09/627146209.db2.gz	JMGLONXVIIJCQB-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
O=C([O-])c1csc(/C=C2\Oc3cc(O)ccc3C2=O)c1	ZINC000765825532	627159865	/nfs/dbraw/zinc/15/98/65/627159865.db2.gz	POIFRMZFXWNFNY-XGICHPGQSA-N	-1	0	288.280	2.768	20	30		CFEDRM
C=CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C	ZINC000768547959	627352456	/nfs/dbraw/zinc/35/24/56/627352456.db2.gz	UTKYWKXCTWVARD-UHFFFAOYSA-N	-1	0	250.298	2.697	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1cc(F)cc(F)c1[O-]	ZINC000770573451	627530451	/nfs/dbraw/zinc/53/04/51/627530451.db2.gz	YPCMLMIMKICICG-PLNGDYQASA-N	-1	0	292.285	2.862	20	30		CFEDRM
C[C@@H]1CCC[C@@H](CC(=O)C(C#N)=C([O-])c2nccn2C)C1	ZINC000770863913	627552168	/nfs/dbraw/zinc/55/21/68/627552168.db2.gz	XVGJBEMXFODJBC-UPJWGTAASA-N	-1	0	287.363	2.528	20	30		CFEDRM
CC(=NNc1ccc(C#N)cc1)c1ccc(C(=O)[O-])o1	ZINC000773035290	627772280	/nfs/dbraw/zinc/77/22/80/627772280.db2.gz	PZYHHIAPHCZXPN-UHFFFAOYSA-N	-1	0	269.260	2.686	20	30		CFEDRM
CC(C)c1nccnc1N=NCc1ccc(C(=O)[O-])cc1	ZINC000773091494	627783068	/nfs/dbraw/zinc/78/30/68/627783068.db2.gz	RJAFLRUZVSKYGR-UHFFFAOYSA-N	-1	0	284.319	2.744	20	30		CFEDRM
O=C(C=Cc1ccccc1-n1cncn1)c1sccc1[O-]	ZINC000773144233	627787939	/nfs/dbraw/zinc/78/79/39/627787939.db2.gz	ZNUCOFUOUIBGGJ-AATRIKPKSA-N	-1	0	297.339	2.931	20	30		CFEDRM
CCc1ccc(NC(=O)C(C#N)=C([O-])c2nccs2)cc1	ZINC000774056820	627882672	/nfs/dbraw/zinc/88/26/72/627882672.db2.gz	ZDPUELYEPOETPB-LBPRGKRZSA-N	-1	0	299.355	2.667	20	30		CFEDRM
COC(=O)c1coc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1	ZINC000774140986	627893620	/nfs/dbraw/zinc/89/36/20/627893620.db2.gz	WWTKACIILPJTAX-HYXAFXHYSA-N	-1	0	290.246	2.807	20	30		CFEDRM
CCCCCCCCC(=O)[N-]S(=O)(=O)C1CCC1	ZINC000774299776	627912886	/nfs/dbraw/zinc/91/28/86/627912886.db2.gz	VAGWMSIVKUMHCD-UHFFFAOYSA-N	-1	0	275.414	2.736	20	30		CFEDRM
C=C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1	ZINC000775717004	628058564	/nfs/dbraw/zinc/05/85/64/628058564.db2.gz	LESFDKFJGOJBHF-UHFFFAOYSA-N	-1	0	251.713	2.838	20	30		CFEDRM
Fc1ccc2c(c1)C(=NNc1[n-]cnc3ncnc1-3)CCC2	ZINC000776180527	628112866	/nfs/dbraw/zinc/11/28/66/628112866.db2.gz	NXPPFYRJZBCJTG-UHFFFAOYSA-N	-1	0	296.309	2.645	20	30		CFEDRM
CCCCCCCC(=O)NC1(C(=O)[O-])CCSCC1	ZINC000776662394	628167130	/nfs/dbraw/zinc/16/71/30/628167130.db2.gz	DNPKRDIVZRQZMJ-UHFFFAOYSA-N	-1	0	287.425	2.814	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776777046	628177534	/nfs/dbraw/zinc/17/75/34/628177534.db2.gz	UMNJYVHGQPKOSY-ZDUSSCGKSA-N	-1	0	281.283	2.791	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2ccccc2)ccc1O	ZINC000777418553	628223514	/nfs/dbraw/zinc/22/35/14/628223514.db2.gz	MYYXHQOFPPAICE-UHFFFAOYSA-N	-1	0	256.261	2.536	20	30		CFEDRM
COCCCCN=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000777418904	628224248	/nfs/dbraw/zinc/22/42/48/628224248.db2.gz	QCVRROGELGZVOA-UHFFFAOYSA-N	-1	0	270.716	2.863	20	30		CFEDRM
O=C([O-])c1cc(C=NOC2CCCCC2)ccc1O	ZINC000777458949	628228157	/nfs/dbraw/zinc/22/81/57/628228157.db2.gz	MDTNTROJXMOOHX-UHFFFAOYSA-N	-1	0	263.293	2.774	20	30		CFEDRM
COc1ccc(C#N)cc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000779589468	628388812	/nfs/dbraw/zinc/38/88/12/628388812.db2.gz	HNANEWRQRZLSRL-UHFFFAOYSA-N	-1	0	299.286	2.793	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@](C)(c3ccccc3)C2)[n-]c1=O	ZINC000780197134	628438494	/nfs/dbraw/zinc/43/84/94/628438494.db2.gz	IOEKIIWWEWWERX-MRXNPFEDSA-N	-1	0	297.362	2.795	20	30		CFEDRM
COc1cc(C)ccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000780965717	628509131	/nfs/dbraw/zinc/50/91/31/628509131.db2.gz	TWGRQCONIBMCMC-UHFFFAOYSA-N	-1	0	282.299	2.833	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1)[C@@]1(C)CCCO1	ZINC000782099331	628604145	/nfs/dbraw/zinc/60/41/45/628604145.db2.gz	XMQRRTWJTGFVSD-CQSZACIVSA-N	-1	0	262.309	2.742	20	30		CFEDRM
Cc1nc(F)ccc1C=NNc1ccccc1C(=O)[O-]	ZINC000782177304	628609536	/nfs/dbraw/zinc/60/95/36/628609536.db2.gz	MTBFBYXAXGULTQ-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000782287716	628624357	/nfs/dbraw/zinc/62/43/57/628624357.db2.gz	NNZOQIMLQFAMPU-ZDUSSCGKSA-N	-1	0	260.337	2.887	20	30		CFEDRM
CCOc1ccc(N(C)C(=O)c2ccc(C#N)c([O-])c2)cc1	ZINC000785415963	628880853	/nfs/dbraw/zinc/88/08/53/628880853.db2.gz	QKAHILMNOMENHJ-UHFFFAOYSA-N	-1	0	296.326	2.939	20	30		CFEDRM
O=C([O-])c1ccccc1N=NCCC[C@H]1CCOC1	ZINC000786039295	628932355	/nfs/dbraw/zinc/93/23/55/628932355.db2.gz	TVMJCKBBZYQSOL-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)co1	ZINC000786542878	628967731	/nfs/dbraw/zinc/96/77/31/628967731.db2.gz	QQOGIKVLPMQVJG-HNNXBMFYSA-N	-1	0	296.326	2.535	20	30		CFEDRM
O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)F	ZINC000787518030	629016691	/nfs/dbraw/zinc/01/66/91/629016691.db2.gz	PBXRBIPBQOACLV-ZETCQYMHSA-N	-1	0	289.150	2.950	20	30		CFEDRM
CC(=NOCC(F)F)c1cc(C(=O)[O-])ccc1C	ZINC000788439727	629067161	/nfs/dbraw/zinc/06/71/61/629067161.db2.gz	WABKYTJASLHSER-UHFFFAOYSA-N	-1	0	257.236	2.699	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)n(C)n1	ZINC000789159953	629130684	/nfs/dbraw/zinc/13/06/84/629130684.db2.gz	RTHQDEYVJCHAKY-WAYWQWQTSA-N	-1	0	298.342	2.940	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2c([O-])c(O)ccc2F)cc1	ZINC000789944292	629199066	/nfs/dbraw/zinc/19/90/66/629199066.db2.gz	QKHJOOZNTLZVCC-UHFFFAOYSA-N	-1	0	286.262	2.555	20	30		CFEDRM
N#Cc1cccc(S(=O)(=O)[N-]c2cccc3ocnc32)c1	ZINC000790005370	629203176	/nfs/dbraw/zinc/20/31/76/629203176.db2.gz	QCUZFIDQAXXBQM-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
COC1(CN=Nc2ccc(C(=O)[O-])cn2)CCCCC1	ZINC000790170169	629215697	/nfs/dbraw/zinc/21/56/97/629215697.db2.gz	ITVMPEFQRIDUPS-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cc(C)on1	ZINC000790281176	629225301	/nfs/dbraw/zinc/22/53/01/629225301.db2.gz	DPKSAOSWDQBLBG-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
CC[C@H](NN=C(Cc1ccc(F)cc1)C(C)C)C(=O)[O-]	ZINC000793056468	629480829	/nfs/dbraw/zinc/48/08/29/629480829.db2.gz	TUFVHPFVBCEKSP-ZDUSSCGKSA-N	-1	0	280.343	2.833	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-]	ZINC000793056009	629480870	/nfs/dbraw/zinc/48/08/70/629480870.db2.gz	RJKWWIFIROWSBJ-APPZFPTMSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc2ccccc2c1O)C(=O)[O-]	ZINC000793071958	629482715	/nfs/dbraw/zinc/48/27/15/629482715.db2.gz	JINDJQNKVSLBHG-AWEZNQCLSA-N	-1	0	286.331	2.722	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(-c2ccccc2F)o1)C(=O)[O-]	ZINC000793071467	629482958	/nfs/dbraw/zinc/48/29/58/629482958.db2.gz	JMJXMGPVOLJAFU-ZDUSSCGKSA-N	-1	0	290.294	2.872	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc2c(c1)CCCC2)C(=O)[O-]	ZINC000793071787	629482969	/nfs/dbraw/zinc/48/29/69/629482969.db2.gz	GTJDCNROMACWPS-OAHLLOKOSA-N	-1	0	274.364	2.742	20	30		CFEDRM
CC[C@@H](NN=C(C)CCc1ccccc1F)C(=O)[O-]	ZINC000793071735	629483013	/nfs/dbraw/zinc/48/30/13/629483013.db2.gz	GQKVCIBTGJBVGS-CYBMUJFWSA-N	-1	0	266.316	2.587	20	30		CFEDRM
CC[C@H](NN=C1c2cccc(F)c2CC[C@H]1C)C(=O)[O-]	ZINC000793080102	629484607	/nfs/dbraw/zinc/48/46/07/629484607.db2.gz	WBMREYCGZVXIBX-RNCFNFMXSA-N	-1	0	278.327	2.565	20	30		CFEDRM
CC1(CNN=Cc2ccc(OCC(=O)[O-])cc2)CCCC1	ZINC000793084279	629485839	/nfs/dbraw/zinc/48/58/39/629485839.db2.gz	JEDXALVEWLUMGP-UHFFFAOYSA-N	-1	0	290.363	2.654	20	30		CFEDRM
C[C@H](Oc1cccc(C=NN[C@@H](C)C(C)(C)C)c1)C(=O)[O-]	ZINC000793112037	629488489	/nfs/dbraw/zinc/48/84/89/629488489.db2.gz	NQUFMIANUSVZGB-RYUDHWBXSA-N	-1	0	292.379	2.897	20	30		CFEDRM
CC[C@H](C)CON=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000793163108	629495852	/nfs/dbraw/zinc/49/58/52/629495852.db2.gz	FQXOIWLYBZEKBY-VIFPVBQESA-N	-1	0	252.270	2.697	20	30		CFEDRM
Cc1nnc(N=NC[C@H](c2ccccc2)C(C)C)[n-]c1=O	ZINC000794474620	629649170	/nfs/dbraw/zinc/64/91/70/629649170.db2.gz	RSAGYOQANRNWRQ-ZDUSSCGKSA-N	-1	0	285.351	2.723	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCCSC1	ZINC000794888439	629699594	/nfs/dbraw/zinc/69/95/94/629699594.db2.gz	PVPJPYGJDCFVGZ-JTQLQIEISA-N	-1	0	264.350	2.926	20	30		CFEDRM
Cc1c(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)cnn1C	ZINC000794944487	629708393	/nfs/dbraw/zinc/70/83/93/629708393.db2.gz	HBIVGBIUKZQFJT-AATRIKPKSA-N	-1	0	298.342	2.940	20	30		CFEDRM
CN(C)c1ccccc1CNN=Cc1ccccc1C(=O)[O-]	ZINC000794950853	629708881	/nfs/dbraw/zinc/70/88/81/629708881.db2.gz	BKQYZTCLNAIXNT-UHFFFAOYSA-N	-1	0	297.358	2.575	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1csc2cc(C)ccc12	ZINC000796633557	629942983	/nfs/dbraw/zinc/94/29/83/629942983.db2.gz	FMXGXRZPMVAJFL-GFCCVEGCSA-N	-1	0	298.367	2.834	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1	ZINC000796777682	629964728	/nfs/dbraw/zinc/96/47/28/629964728.db2.gz	DKPDJAIHKFTLCQ-CQSZACIVSA-N	-1	0	298.367	2.695	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(Cl)c1[O-]	ZINC000798041131	630144192	/nfs/dbraw/zinc/14/41/92/630144192.db2.gz	YAAKMQSTMULPLY-IINYFYTJSA-N	-1	0	295.766	2.757	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccoc1CCC	ZINC000798815331	630241361	/nfs/dbraw/zinc/24/13/61/630241361.db2.gz	PXGNMKDAWZFKBP-CYBMUJFWSA-N	-1	0	290.363	2.861	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)[N-]OCc1ccccc1OC	ZINC000799096296	630275155	/nfs/dbraw/zinc/27/51/55/630275155.db2.gz	GUDZDRMCBNFNKR-OAHLLOKOSA-N	-1	0	263.337	2.845	20	30		CFEDRM
O=C([O-])Cn1cc(C=NNC2CCCC2)c2ccccc21	ZINC000799877767	630350678	/nfs/dbraw/zinc/35/06/78/630350678.db2.gz	GDBFISZLGUKWNC-UHFFFAOYSA-N	-1	0	285.347	2.592	20	30		CFEDRM
CCOC1(C(=O)Nc2cc(C#N)ccc2[O-])CCCC1	ZINC000802890600	630560546	/nfs/dbraw/zinc/56/05/46/630560546.db2.gz	DEQADFAETWDJHJ-UHFFFAOYSA-N	-1	0	274.320	2.552	20	30		CFEDRM
N#Cc1cc(F)cc(C2(C(=O)[N-]OC3CCCC3)CC2)c1	ZINC000803030286	630579587	/nfs/dbraw/zinc/57/95/87/630579587.db2.gz	QRNPQKGIQGJQMG-UHFFFAOYSA-N	-1	0	288.322	2.719	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C\c2cocn2)C(=O)c2ccccc21	ZINC000806560243	630812554	/nfs/dbraw/zinc/81/25/54/630812554.db2.gz	KFTKIXCSWNLXPD-NEXMIYJRSA-N	-1	0	269.256	2.513	20	30		CFEDRM
CC(C)(C)c1ncc(C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000806991408	630851939	/nfs/dbraw/zinc/85/19/39/630851939.db2.gz	XAWWBUATSNSKPE-UHFFFAOYSA-N	-1	0	296.330	2.604	20	30		CFEDRM
C=CCC[C@H](C(=O)[N-]O[C@H](CO)C(C)C)c1ccccc1	ZINC000836894575	630910863	/nfs/dbraw/zinc/91/08/63/630910863.db2.gz	FLMWVJHSCFNEAN-JKSUJKDBSA-N	-1	0	291.391	2.801	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@H]1SC	ZINC000807957889	630926180	/nfs/dbraw/zinc/92/61/80/630926180.db2.gz	BSDJLDATKNXHSZ-QWHCGFSZSA-N	-1	0	294.376	2.693	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cc(F)ncc1F	ZINC000807958465	630926344	/nfs/dbraw/zinc/92/63/44/630926344.db2.gz	ZAFKRKVXOVBSBV-UHFFFAOYSA-N	-1	0	277.230	2.504	20	30		CFEDRM
C[C@H](Oc1cccc(C=NNCC2CCCC2)c1)C(=O)[O-]	ZINC000808005982	630940047	/nfs/dbraw/zinc/94/00/47/630940047.db2.gz	ODWXJCFRNWTWOP-LBPRGKRZSA-N	-1	0	290.363	2.652	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	ZINC000837043653	630943223	/nfs/dbraw/zinc/94/32/23/630943223.db2.gz	DQGWGABKRXSHGX-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=CCO[N-]C(=O)CS[C@H](C)c1nc2ccccc2[nH]1	ZINC000837043991	630943684	/nfs/dbraw/zinc/94/36/84/630943684.db2.gz	IOEGRCXLCKZZHY-SNVBAGLBSA-N	-1	0	291.376	2.591	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1ccccc1Br	ZINC000837049660	630946270	/nfs/dbraw/zinc/94/62/70/630946270.db2.gz	MMXYABMXNHNZQW-UHFFFAOYSA-N	-1	0	298.180	2.961	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1	ZINC000809062495	631074180	/nfs/dbraw/zinc/07/41/80/631074180.db2.gz	OISJQEYMSMOXTD-ZDUSSCGKSA-N	-1	0	295.404	2.543	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000809155306	631090848	/nfs/dbraw/zinc/09/08/48/631090848.db2.gz	TZAVTJWFLWYQSZ-HWKANZROSA-N	-1	0	289.312	2.751	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccccc2OC)CCCCC1	ZINC000855606970	635596841	/nfs/dbraw/zinc/59/68/41/635596841.db2.gz	TZQSHOCNYRFYDW-UHFFFAOYSA-N	-1	0	287.359	2.578	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1cccs1)c1cccs1	ZINC000042243961	649996662	/nfs/dbraw/zinc/99/66/62/649996662.db2.gz	KRAGJNBDPURLTD-UHFFFAOYSA-N	-1	0	273.360	2.503	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1	ZINC000042303943	649997552	/nfs/dbraw/zinc/99/75/52/649997552.db2.gz	LIFNCNQWKLUMRY-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1nc(-c2ccco2)cs1	ZINC000840946547	631274654	/nfs/dbraw/zinc/27/46/54/631274654.db2.gz	QODUZZHCPYTLFK-UHFFFAOYSA-N	-1	0	296.373	2.558	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(C)c1	ZINC000042343560	649998166	/nfs/dbraw/zinc/99/81/66/649998166.db2.gz	WCMXUFVASOFGMJ-LBPRGKRZSA-N	-1	0	299.392	2.849	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2(C)CCCCC2)CC1	ZINC000810983809	631491201	/nfs/dbraw/zinc/49/12/01/631491201.db2.gz	HNGYMSQREYVHNI-UHFFFAOYSA-N	-1	0	299.436	2.902	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000810984285	631491385	/nfs/dbraw/zinc/49/13/85/631491385.db2.gz	YMRTVQLUYZUREW-ITGUQSILSA-N	-1	0	299.436	2.613	20	30		CFEDRM
C=CCCCCCCCNC(=O)c1[nH]nc(C)c1[O-]	ZINC000811590215	631583452	/nfs/dbraw/zinc/58/34/52/631583452.db2.gz	SXONZSAEHZNUJX-UHFFFAOYSA-N	-1	0	265.357	2.680	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2nc(C#N)cs2)c([O-])c1	ZINC000811694299	631607335	/nfs/dbraw/zinc/60/73/35/631607335.db2.gz	UYBMTSNZLUOLSE-PLNGDYQASA-N	-1	0	270.313	2.925	20	30		CFEDRM
CC(C)Cn1nccc1C=NNc1ccccc1C(=O)[O-]	ZINC000842522220	631651847	/nfs/dbraw/zinc/65/18/47/631651847.db2.gz	VMWZTTDHZUPNSL-UHFFFAOYSA-N	-1	0	286.335	2.683	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CCC(F)(F)CC2)cn1	ZINC000842536410	631656418	/nfs/dbraw/zinc/65/64/18/631656418.db2.gz	RUAVDOQDQGIWIW-UHFFFAOYSA-N	-1	0	269.251	2.757	20	30		CFEDRM
C#CCO[N-]C(=O)COc1ccc(Cl)c2ccccc12	ZINC000812785558	631774086	/nfs/dbraw/zinc/77/40/86/631774086.db2.gz	WKHNMBWIBSODSL-UHFFFAOYSA-N	-1	0	289.718	2.553	20	30		CFEDRM
C#CCO[N-]C(=O)CSc1ccc2ccccc2c1	ZINC000812782976	631774145	/nfs/dbraw/zinc/77/41/45/631774145.db2.gz	SKOGTQNIOSQNTL-UHFFFAOYSA-N	-1	0	271.341	2.613	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](CC)Oc1ccccc1C(C)C	ZINC000812784030	631774389	/nfs/dbraw/zinc/77/43/89/631774389.db2.gz	RLIXUSOFINNHQU-CQSZACIVSA-N	-1	0	275.348	2.648	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	ZINC000812783536	631774469	/nfs/dbraw/zinc/77/44/69/631774469.db2.gz	UMAXKYIONFTCLF-CYBMUJFWSA-N	-1	0	275.348	2.567	20	30		CFEDRM
CO[C@@H]1COC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000843264378	631913296	/nfs/dbraw/zinc/91/32/96/631913296.db2.gz	OHSGNURGVHHREV-PQNZHKSHSA-N	-1	0	290.146	2.532	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1	ZINC000814023275	631995789	/nfs/dbraw/zinc/99/57/89/631995789.db2.gz	WPQUDVQETCIEJN-CYBMUJFWSA-N	-1	0	281.377	2.550	20	30		CFEDRM
COc1ccc(F)c(C=NNc2ccc(C(=O)[O-])cc2)c1	ZINC000814680685	632107019	/nfs/dbraw/zinc/10/70/19/632107019.db2.gz	DPDAJKSBBNBBTH-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814682005	632107896	/nfs/dbraw/zinc/10/78/96/632107896.db2.gz	FHIBWLIHKZWJLI-NXEZZACHSA-N	-1	0	291.307	2.884	20	30		CFEDRM
Cc1cccc2c1OCC2=NNc1cccc(C(=O)[O-])c1	ZINC000814687151	632109037	/nfs/dbraw/zinc/10/90/37/632109037.db2.gz	AGCNAHGVXDPZDJ-UHFFFAOYSA-N	-1	0	282.299	2.902	20	30		CFEDRM
C[C@@H]1C(N=Nc2nc3ccccc3[nH]2)CC[C@@H]1CC(=O)[O-]	ZINC000814708759	632111705	/nfs/dbraw/zinc/11/17/05/632111705.db2.gz	LPACLZPITQJKEK-VHSXEESVSA-N	-1	0	286.335	2.852	20	30		CFEDRM
COc1ccc(F)c(C=NNc2ccccc2C(=O)[O-])c1	ZINC000814769229	632120769	/nfs/dbraw/zinc/12/07/69/632120769.db2.gz	WQMRROXHUUYDAM-UHFFFAOYSA-N	-1	0	288.278	2.979	20	30		CFEDRM
CO[C@](C)(CN=Nc1ccccc1C(=O)[O-])C1CC1	ZINC000814768450	632120872	/nfs/dbraw/zinc/12/08/72/632120872.db2.gz	BYIPEEAVWKDBTQ-CQSZACIVSA-N	-1	0	262.309	2.598	20	30		CFEDRM
Cc1ccc(N=NC2CC(C(=O)[O-])(c3ccccc3)C2)nc1	ZINC000814831535	632134214	/nfs/dbraw/zinc/13/42/14/632134214.db2.gz	GHXKTFHXVVRHMM-UHFFFAOYSA-N	-1	0	295.342	2.974	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc1	ZINC000814831821	632134478	/nfs/dbraw/zinc/13/44/78/632134478.db2.gz	SFXXILUOHGZCAJ-CMPLNLGQSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccncc1Cl	ZINC000814869768	632143382	/nfs/dbraw/zinc/14/33/82/632143382.db2.gz	CSKRBGSOXNQYJT-UHFFFAOYSA-N	-1	0	281.743	2.590	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](C(=O)[O-])C[C@H]2C)c1	ZINC000814872910	632144789	/nfs/dbraw/zinc/14/47/89/632144789.db2.gz	DIOCOGFTRDRKBK-OCCSQVGLSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@H]1C(N=NCCc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814875690	632145104	/nfs/dbraw/zinc/14/51/04/632145104.db2.gz	RZGRBYWEDHKRLA-DGCLKSJQSA-N	-1	0	292.354	2.835	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](C(=O)[O-])C[C@@H]2C)c1	ZINC000814872908	632145204	/nfs/dbraw/zinc/14/52/04/632145204.db2.gz	DIOCOGFTRDRKBK-GXTWGEPZSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H](C)CC#N	ZINC000814883345	632147645	/nfs/dbraw/zinc/14/76/45/632147645.db2.gz	JZISWYRPDGIADR-GFCCVEGCSA-N	-1	0	253.346	2.679	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NO[C@H]1CCCCO1	ZINC000814886799	632149037	/nfs/dbraw/zinc/14/90/37/632149037.db2.gz	DFWRFBFLCQBBDA-HNNXBMFYSA-N	-1	0	289.331	2.968	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1C[C@H](C)[C@H]1C	ZINC000814887553	632149933	/nfs/dbraw/zinc/14/99/33/632149933.db2.gz	SMENCFBIBGUQQM-DTWKUNHWSA-N	-1	0	262.309	2.837	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccccc2)CC[C@H]1C(=O)[O-]	ZINC000814888320	632150048	/nfs/dbraw/zinc/15/00/48/632150048.db2.gz	VSPHYUNUHOBCAJ-BXUZGUMPSA-N	-1	0	260.337	2.653	20	30		CFEDRM
C[C@H]1C(N=Nc2ncc(F)cn2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814888615	632150177	/nfs/dbraw/zinc/15/01/77/632150177.db2.gz	IAONRTIMDXVDIR-WCBMZHEXSA-N	-1	0	294.330	2.541	20	30		CFEDRM
COC1(CC(C)N=Nc2ccc(C(=O)[O-])cn2)CCC1	ZINC000814890126	632150593	/nfs/dbraw/zinc/15/05/93/632150593.db2.gz	ILTHFZDTAWQBFL-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
COC(=O)c1ccccc1NN=Cc1cccc(C(=O)[O-])c1	ZINC000814895410	632152427	/nfs/dbraw/zinc/15/24/27/632152427.db2.gz	WSLGGKHSVAZRKU-UHFFFAOYSA-N	-1	0	298.298	2.617	20	30		CFEDRM
C[C@H]1C(N=NCC(F)(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814904773	632157276	/nfs/dbraw/zinc/15/72/76/632157276.db2.gz	YAQSMLKHYRFHBB-JGVFFNPUSA-N	-1	0	280.290	2.651	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCC(F)F)c1Cl	ZINC000814904070	632157567	/nfs/dbraw/zinc/15/75/67/632157567.db2.gz	PVSDQKGDEOUIKM-UHFFFAOYSA-N	-1	0	263.627	2.654	20	30		CFEDRM
C[C@H]1CC(N=NC2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000814909238	632159915	/nfs/dbraw/zinc/15/99/15/632159915.db2.gz	IYYDCXDKZKIIMB-GWCFXTLKSA-N	-1	0	252.358	2.786	20	30		CFEDRM
CC(=NN[C@@H]1CCOC(C)(C)C1)c1csc(C(=O)[O-])c1	ZINC000814908613	632159953	/nfs/dbraw/zinc/15/99/53/632159953.db2.gz	RKMJPRAWKPPERK-LLVKDONJSA-N	-1	0	296.392	2.718	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NN[C@H]1CCCOC1	ZINC000814908243	632160170	/nfs/dbraw/zinc/16/01/70/632160170.db2.gz	LCHWXFFCDFZIOL-ZDUSSCGKSA-N	-1	0	270.373	2.556	20	30		CFEDRM
CC(=NNC[C@H]1CCSC1)c1csc(C(=O)[O-])c1	ZINC000814935419	632172905	/nfs/dbraw/zinc/17/29/05/632172905.db2.gz	MZTMQYLWZHZELO-SECBINFHSA-N	-1	0	284.406	2.513	20	30		CFEDRM
CC(=NOCCOC(C)C)c1csc(C(=O)[O-])c1	ZINC000814937197	632174348	/nfs/dbraw/zinc/17/43/48/632174348.db2.gz	XRWHXHUEEHGECX-UHFFFAOYSA-N	-1	0	271.338	2.612	20	30		CFEDRM
Cc1ccc(-c2ccc(C=NNCC(=O)[O-])s2)cc1	ZINC000814956535	632179090	/nfs/dbraw/zinc/17/90/90/632179090.db2.gz	CSYCNOQYFQHTLA-UHFFFAOYSA-N	-1	0	274.345	2.732	20	30		CFEDRM
CCOc1ccc(NN=Cc2c[nH]c(C(=O)[O-])c2)cc1	ZINC000814985280	632186494	/nfs/dbraw/zinc/18/64/94/632186494.db2.gz	ZWVYXUZESSTURM-UHFFFAOYSA-N	-1	0	273.292	2.558	20	30		CFEDRM
Cc1c(N=NC2CCO[C@H](C)C2)cccc1C(=O)[O-]	ZINC000844623050	632266740	/nfs/dbraw/zinc/26/67/40/632266740.db2.gz	HIPDCRVECCVPMV-SECBINFHSA-N	-1	0	262.309	2.660	20	30		CFEDRM
CCn1ccnc1C(C)=NNc1cccc(C(=O)[O-])c1C	ZINC000844622666	632267100	/nfs/dbraw/zinc/26/71/00/632267100.db2.gz	IBHKDNAJFFKPKH-UHFFFAOYSA-N	-1	0	286.335	2.746	20	30		CFEDRM
Cc1c(N=NC(C)[C@H]2CCCO2)cccc1C(=O)[O-]	ZINC000844624512	632267671	/nfs/dbraw/zinc/26/76/71/632267671.db2.gz	QPZXDCRYXMZPDF-CYBMUJFWSA-N	-1	0	262.309	2.660	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)[N-]c1noc(C)n1	ZINC000844825809	632317933	/nfs/dbraw/zinc/31/79/33/632317933.db2.gz	NCKAOQQCYXZDQE-UHFFFAOYSA-N	-1	0	289.401	2.870	20	30		CFEDRM
CCC(=O)C(C#N)=C([O-])c1sccc1Br	ZINC000845844757	632579268	/nfs/dbraw/zinc/57/92/68/632579268.db2.gz	KVKJBFFUKAHZCC-ZCFIWIBFSA-N	-1	0	286.150	2.812	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1nccs1	ZINC000845846777	632579520	/nfs/dbraw/zinc/57/95/20/632579520.db2.gz	VOCFGKWBYCUDSG-LBPRGKRZSA-N	-1	0	296.351	2.766	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)COCc1ccccc1	ZINC000846533320	632723455	/nfs/dbraw/zinc/72/34/55/632723455.db2.gz	HBIUUXFNTHSKIE-UHFFFAOYSA-N	-1	0	277.364	2.853	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cccnc2)CCCC1	ZINC000846533806	632724297	/nfs/dbraw/zinc/72/42/97/632724297.db2.gz	NOKDXZQNZHQKPG-UHFFFAOYSA-N	-1	0	260.337	2.517	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000846536914	632726254	/nfs/dbraw/zinc/72/62/54/632726254.db2.gz	AYWNUGYMLOZEDI-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CNc1cccc(C(F)(F)F)c1	ZINC000846538106	632727322	/nfs/dbraw/zinc/72/73/22/632727322.db2.gz	FGDKULQQUOXUAG-UHFFFAOYSA-N	-1	0	288.269	2.741	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cc(Cl)cc(Cl)c1	ZINC000846538279	632727640	/nfs/dbraw/zinc/72/76/40/632727640.db2.gz	UNFNVMQOOUMCIZ-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccccc1F	ZINC000846539352	632728558	/nfs/dbraw/zinc/72/85/58/632728558.db2.gz	GITDFOARYYDNTN-UHFFFAOYSA-N	-1	0	251.301	2.727	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSCc1cccc(C)c1	ZINC000846542254	632730746	/nfs/dbraw/zinc/73/07/46/632730746.db2.gz	XUFOXNRDODSZLX-LBPRGKRZSA-N	-1	0	265.378	2.851	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cn1c(C)cc2ccccc21	ZINC000846542938	632731754	/nfs/dbraw/zinc/73/17/54/632731754.db2.gz	JKEFBQNRVNESJY-GFCCVEGCSA-N	-1	0	258.321	2.572	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1cccc(Cl)c1C	ZINC000846545754	632734182	/nfs/dbraw/zinc/73/41/82/632734182.db2.gz	QNDYYIPQMBLHOG-SECBINFHSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCc2sccc21	ZINC000846547696	632736513	/nfs/dbraw/zinc/73/65/13/632736513.db2.gz	LUCIOAIAUDAKPZ-GXSJLCMTSA-N	-1	0	251.351	2.790	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc2c(c1)CCCC2	ZINC000846549368	632737480	/nfs/dbraw/zinc/73/74/80/632737480.db2.gz	QYNGCOMRYGVEBT-GFCCVEGCSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Oc1ccc2c(c1)CCC2	ZINC000846550644	632738099	/nfs/dbraw/zinc/73/80/99/632738099.db2.gz	PNLQUBIJJUVDHQ-RYUDHWBXSA-N	-1	0	275.348	2.565	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@](O)(CC)c1cccc(Cl)c1	ZINC000846552453	632739949	/nfs/dbraw/zinc/73/99/49/632739949.db2.gz	IBIMGPHMFAGKPM-HZMBPMFUSA-N	-1	0	283.755	2.560	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000846554291	632740767	/nfs/dbraw/zinc/74/07/67/632740767.db2.gz	JVCXFMIUWLIQMV-DGCLKSJQSA-N	-1	0	275.348	2.954	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000846554292	632740985	/nfs/dbraw/zinc/74/09/85/632740985.db2.gz	JVCXFMIUWLIQMV-WCQYABFASA-N	-1	0	275.348	2.954	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(C(=O)OC(C)(C)C)CCCCC1	ZINC000846554891	632741587	/nfs/dbraw/zinc/74/15/87/632741587.db2.gz	LETAUDKUMQGUGB-GFCCVEGCSA-N	-1	0	297.395	2.901	20	30		CFEDRM
Cc1cnc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(C)c1	ZINC000846755991	632787961	/nfs/dbraw/zinc/78/79/61/632787961.db2.gz	GIURHEOUNPTCAG-LICLKQGHSA-N	-1	0	299.330	2.974	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C(C)(C)C)c1	ZINC000847624137	633010711	/nfs/dbraw/zinc/01/07/11/633010711.db2.gz	KEMAUECCBYKMMI-CQSZACIVSA-N	-1	0	284.359	2.609	20	30		CFEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(C2CC2)c1	ZINC000847665581	633031286	/nfs/dbraw/zinc/03/12/86/633031286.db2.gz	WGGAKNXRSOCTKZ-AWEZNQCLSA-N	-1	0	293.326	2.503	20	30		CFEDRM
C=C(C)CONC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000848245040	633222962	/nfs/dbraw/zinc/22/29/62/633222962.db2.gz	RVHDQOKDCVMUMT-UHFFFAOYSA-N	-1	0	275.226	2.649	20	30		CFEDRM
C#CCOc1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000108250209	633485886	/nfs/dbraw/zinc/48/58/86/633485886.db2.gz	DZKSSWQCVKWGGK-UHFFFAOYSA-N	-1	0	293.369	2.561	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2O)c2ncnn21	ZINC000849170711	633578020	/nfs/dbraw/zinc/57/80/20/633578020.db2.gz	SWYZZJOIOUHUGZ-PTCHAJENSA-N	-1	0	276.727	2.762	20	30		CFEDRM
C[C@@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172391	633579849	/nfs/dbraw/zinc/57/98/49/633579849.db2.gz	RLEOHYZEAZPKCP-QZSDQICDSA-N	-1	0	270.235	2.765	20	30		CFEDRM
Cn1ncc(C2CCC2)c1/C=C/C(=O)c1ccc(O)cc1[O-]	ZINC000849246795	633590097	/nfs/dbraw/zinc/59/00/97/633590097.db2.gz	LEAXTEIEAGQABW-BQYQJAHWSA-N	-1	0	298.342	2.995	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)CC	ZINC000850837440	634107074	/nfs/dbraw/zinc/10/70/74/634107074.db2.gz	PYZBRRQXJWOOSF-GFCCVEGCSA-N	-1	0	277.430	2.839	20	30		CFEDRM
C[C@H]1C(N=Nc2ccncc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000853403012	634995262	/nfs/dbraw/zinc/99/52/62/634995262.db2.gz	PXNBUQVGHJIVLK-VHSXEESVSA-N	-1	0	293.342	2.567	20	30		CFEDRM
CC(C)(C(=O)[N-]OCC1(CC#N)CC1)c1ccccc1	ZINC000853663763	635066733	/nfs/dbraw/zinc/06/67/33/635066733.db2.gz	BEZVUFXJWPYLBX-UHFFFAOYSA-N	-1	0	272.348	2.706	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CCC(C)C	ZINC000111983264	635240589	/nfs/dbraw/zinc/24/05/89/635240589.db2.gz	GSDMJVRUPKBUAS-UHFFFAOYSA-N	-1	0	277.430	2.839	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1	ZINC000855026756	635445556	/nfs/dbraw/zinc/44/55/56/635445556.db2.gz	OJUUYXPPKZWUQT-CYBMUJFWSA-N	-1	0	297.395	2.758	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C(CC)CC	ZINC000113697017	635668506	/nfs/dbraw/zinc/66/85/06/635668506.db2.gz	WDVWINOTNGSWAL-UHFFFAOYSA-N	-1	0	277.430	2.982	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000856029414	635704316	/nfs/dbraw/zinc/70/43/16/635704316.db2.gz	MIUOIIJLKBPSDJ-SNVBAGLBSA-N	-1	0	296.348	2.699	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1c(Cl)cccc1Cl	ZINC000856028671	635704579	/nfs/dbraw/zinc/70/45/79/635704579.db2.gz	MMEZPRQPJZFTGO-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc2c(c1)CCCC2	ZINC000856031849	635706669	/nfs/dbraw/zinc/70/66/69/635706669.db2.gz	AGAKDSOTQLITBT-UHFFFAOYSA-N	-1	0	275.348	2.568	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000856034316	635709085	/nfs/dbraw/zinc/70/90/85/635709085.db2.gz	KZMLGPWOXFSAIR-UHFFFAOYSA-N	-1	0	259.227	2.541	20	30		CFEDRM
CCCSCC(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000048518285	650269351	/nfs/dbraw/zinc/26/93/51/650269351.db2.gz	HNRHRUUTIHHBEL-UHFFFAOYSA-N	-1	0	293.435	2.845	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1cccc(C)c1)C1CC1	ZINC000048512248	650269422	/nfs/dbraw/zinc/26/94/22/650269422.db2.gz	HYZDSXDSMMPBIT-LUAWRHEFSA-N	-1	0	279.361	2.997	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccccc1SC	ZINC000048552243	650271076	/nfs/dbraw/zinc/27/10/76/650271076.db2.gz	LHEDFLFIPFJHMW-UHFFFAOYSA-N	-1	0	287.406	2.843	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1	ZINC000049004095	650285523	/nfs/dbraw/zinc/28/55/23/650285523.db2.gz	HLLUVUXMNINJPT-SECBINFHSA-N	-1	0	291.394	2.517	20	30		CFEDRM
COC[C@@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000049176387	650289730	/nfs/dbraw/zinc/28/97/30/650289730.db2.gz	IRMQTYJZBRJQHH-RQTLQMQPSA-N	-1	0	286.715	2.655	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc(C2CC2)[nH]c1C1CC1	ZINC000860472901	636892750	/nfs/dbraw/zinc/89/27/50/636892750.db2.gz	FUCIUBILXZWBJB-CYBMUJFWSA-N	-1	0	299.374	2.617	20	30		CFEDRM
CC(C)(C(=O)[N-]OC/C=C/Cl)c1ccc(C#N)cc1	ZINC000861782732	637235604	/nfs/dbraw/zinc/23/56/04/637235604.db2.gz	IODQSKKZVXPYDB-FPYGCLRLSA-N	-1	0	278.739	2.636	20	30		CFEDRM
C=CCO[N-]C(=O)C(=O)Nc1ccc(Cl)cc1C(C)C	ZINC000861880399	637249269	/nfs/dbraw/zinc/24/92/69/637249269.db2.gz	KYQWFFZWRZUYSC-UHFFFAOYSA-N	-1	0	296.754	2.636	20	30		CFEDRM
COC1CCC(CN=Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000863063133	637546419	/nfs/dbraw/zinc/54/64/19/637546419.db2.gz	NQCBVHANCKMNHJ-UHFFFAOYSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@H](NN=Cc1ccsc1C(F)(F)F)C(=O)[O-]	ZINC000863114793	637561542	/nfs/dbraw/zinc/56/15/42/637561542.db2.gz	UOBNXPRDDXQKCI-ZETCQYMHSA-N	-1	0	280.271	2.554	20	30		CFEDRM
CC(=NN=c1cc[nH]c(C)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000863159053	637573387	/nfs/dbraw/zinc/57/33/87/637573387.db2.gz	ANZURNDVMRNWDC-NSHDSACASA-N	-1	0	277.368	2.881	20	30		CFEDRM
N#Cc1ccc([O-])c(-c2cnn([C@@H]3CCCCO3)c2)c1	ZINC000863725772	637759978	/nfs/dbraw/zinc/75/99/78/637759978.db2.gz	ASVFVIVVTFQMKK-HNNXBMFYSA-N	-1	0	269.304	2.826	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864155558	637894943	/nfs/dbraw/zinc/89/49/43/637894943.db2.gz	MRDOZXHLFSATKB-VQHVLOKHSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864156361	637895526	/nfs/dbraw/zinc/89/55/26/637895526.db2.gz	UWUJHXWGPGLFKB-GHEOONOUSA-N	-1	0	287.315	2.701	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864156362	637895652	/nfs/dbraw/zinc/89/56/52/637895652.db2.gz	UWUJHXWGPGLFKB-SIDSAAMKSA-N	-1	0	287.315	2.701	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(CC)s1)C(=O)[O-]	ZINC000864183272	637906796	/nfs/dbraw/zinc/90/67/96/637906796.db2.gz	DHKDQYCVJXBVOQ-SECBINFHSA-N	-1	0	287.768	2.636	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000864182689	637906827	/nfs/dbraw/zinc/90/68/27/637906827.db2.gz	CQADWMQTJSKXHW-VIFPVBQESA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000864184926	637907170	/nfs/dbraw/zinc/90/71/70/637907170.db2.gz	ZGUFKKPYNUCNNA-GHMZBOCLSA-N	-1	0	275.776	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1ccc(CC)cc1)C(=O)[O-]	ZINC000864185289	637907350	/nfs/dbraw/zinc/90/73/50/637907350.db2.gz	XDJYHGYLRDXFCG-CYBMUJFWSA-N	-1	0	295.766	2.504	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000864185447	637907453	/nfs/dbraw/zinc/90/74/53/637907453.db2.gz	YUNVTOOXDPSIMD-JOYOIKCWSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000864185445	637907603	/nfs/dbraw/zinc/90/76/03/637907603.db2.gz	YUNVTOOXDPSIMD-BXKDBHETSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1ccc(CC)cc1)C(=O)[O-]	ZINC000864185291	637907790	/nfs/dbraw/zinc/90/77/90/637907790.db2.gz	XDJYHGYLRDXFCG-ZDUSSCGKSA-N	-1	0	295.766	2.504	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(CCC)cc1)C(=O)[O-]	ZINC000864184621	637907802	/nfs/dbraw/zinc/90/78/02/637907802.db2.gz	PDALYEFJUBCEHF-CYBMUJFWSA-N	-1	0	295.766	2.965	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000864186180	637908065	/nfs/dbraw/zinc/90/80/65/637908065.db2.gz	KGDWZSYOLNVOSY-IEBDPFPHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1cccc2c1CCC2)C(=O)[O-]	ZINC000864186608	637908160	/nfs/dbraw/zinc/90/81/60/637908160.db2.gz	SVFSVCVZQSACSY-ZDUSSCGKSA-N	-1	0	293.750	2.501	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000864187910	637909440	/nfs/dbraw/zinc/90/94/40/637909440.db2.gz	QAYIVNHZNWADLO-YUZLPWPTSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C(/C)c1ccc(F)cc1)C(=O)[O-]	ZINC000864187828	637909585	/nfs/dbraw/zinc/90/95/85/637909585.db2.gz	PGVAWHKXGYMJAR-FPAJZGIOSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCC[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-]	ZINC000864509884	638005995	/nfs/dbraw/zinc/00/59/95/638005995.db2.gz	OKQUWZKDYNXDAA-JTQLQIEISA-N	-1	0	282.409	2.950	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000076759587	650401662	/nfs/dbraw/zinc/40/16/62/650401662.db2.gz	ZKOPZGQYIYWLCN-LLVKDONJSA-N	-1	0	294.376	2.781	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cn(C3CC3)cn2)c([O-])c1	ZINC000865220550	638226186	/nfs/dbraw/zinc/22/61/86/638226186.db2.gz	LXXPMWTZLJPSMX-UQCOIBPSSA-N	-1	0	284.315	2.828	20	30		CFEDRM
Cn1nc2c(c1C=CC(=O)c1sccc1[O-])CCCC2	ZINC000865224516	638227978	/nfs/dbraw/zinc/22/79/78/638227978.db2.gz	RXFISJWTNAKXCS-VOTSOKGWSA-N	-1	0	288.372	2.962	20	30		CFEDRM
C[C@@H](N[C@H](C)C(F)(F)F)c1cccc(C#N)c1[O-]	ZINC000866358536	638803622	/nfs/dbraw/zinc/80/36/22/638803622.db2.gz	JKWLUMXOFNUNGW-HTQZYQBOSA-N	-1	0	258.243	2.865	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(OC(C)(C)C)cc1	ZINC000191268270	650486712	/nfs/dbraw/zinc/48/67/12/650486712.db2.gz	ILDPSDOQGABVLB-UHFFFAOYSA-N	-1	0	291.347	2.577	20	30		CFEDRM
CCCCC[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122935058	639518403	/nfs/dbraw/zinc/51/84/03/639518403.db2.gz	ULZGJDGIRRIAOY-STQMWFEESA-N	-1	0	289.379	2.918	20	30		CFEDRM
CC(C)CCCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123016439	639560421	/nfs/dbraw/zinc/56/04/21/639560421.db2.gz	LDNLZPIZNFRNMW-CYBMUJFWSA-N	-1	0	289.379	2.918	20	30		CFEDRM
C=CCC(CC=C)C(=O)[N-]S(=O)(=O)CC(C)(C)CC	ZINC000870660059	639756281	/nfs/dbraw/zinc/75/62/81/639756281.db2.gz	MOQKRENBKWHGSF-UHFFFAOYSA-N	-1	0	287.425	2.637	20	30		CFEDRM
CC[C@H](C)CC[C@H](O)CC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870689770	639772518	/nfs/dbraw/zinc/77/25/18/639772518.db2.gz	BEYOKIZXLXKDGZ-JSGCOSHPSA-N	-1	0	290.363	2.546	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)CCCCC)CC1	ZINC000870834757	641091631	/nfs/dbraw/zinc/09/16/31/641091631.db2.gz	OZCGRNCMGXHEDQ-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)[C@@H](CCCC)C(C)C)CC1	ZINC000870839403	641091774	/nfs/dbraw/zinc/09/17/74/641091774.db2.gz	KKFXIBOABCHWCZ-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C[C@H](CC1CCCC1)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123347151	641091778	/nfs/dbraw/zinc/09/17/78/641091778.db2.gz	QYQGJYKPWRBVPR-DGCLKSJQSA-N	-1	0	287.363	2.528	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)CC1	ZINC000870830398	641091922	/nfs/dbraw/zinc/09/19/22/641091922.db2.gz	BCROVOJNVODPAV-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000193367603	650647629	/nfs/dbraw/zinc/64/76/29/650647629.db2.gz	PZVUQQDCWBZBBR-ZDUSSCGKSA-N	-1	0	292.766	2.969	20	30		CFEDRM
Cc1conc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000871736330	641430542	/nfs/dbraw/zinc/43/05/42/641430542.db2.gz	HEHYFHFRYHPGNX-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
CO[C@H]1C[C@@H](Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)C1	ZINC000871736777	641431187	/nfs/dbraw/zinc/43/11/87/641431187.db2.gz	YZFPPCKYPSNKHK-TXEJJXNPSA-N	-1	0	291.395	2.767	20	30		CFEDRM
N#Cc1cc(Cl)nc(-n2[n-]c(C3CCCC3)cc2=O)c1	ZINC000871954143	641527074	/nfs/dbraw/zinc/52/70/74/641527074.db2.gz	DTSFDHCTSADVOC-UHFFFAOYSA-N	-1	0	288.738	2.890	20	30		CFEDRM
CCCc1c(C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871955845	641529068	/nfs/dbraw/zinc/52/90/68/641529068.db2.gz	ZHTKKWRJDUEZAC-SNVBAGLBSA-N	-1	0	276.727	2.745	20	30		CFEDRM
Cc1cc(C)nc(N=NC2CCc3cccc(C(=O)[O-])c32)n1	ZINC000872324712	641756137	/nfs/dbraw/zinc/75/61/37/641756137.db2.gz	XXNFSJMDWPSPHU-UHFFFAOYSA-N	-1	0	296.330	2.554	20	30		CFEDRM
O=C([O-])c1ccc(N=NC(C2CCC2)[C@@H]2CCCO2)nc1	ZINC000872361063	641768133	/nfs/dbraw/zinc/76/81/33/641768133.db2.gz	ZGCBFQMJTNTYSW-LBPRGKRZSA-N	-1	0	289.335	2.527	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNC[C@@H]1CCCC1(F)F	ZINC000872407989	641797008	/nfs/dbraw/zinc/79/70/08/641797008.db2.gz	JDOVQASLWUNZMG-NSHDSACASA-N	-1	0	282.290	2.744	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2nc3ccncc3s2)CC1	ZINC000872412747	641800579	/nfs/dbraw/zinc/80/05/79/641800579.db2.gz	VXRYKKQEWBQKLN-UHFFFAOYSA-N	-1	0	290.348	2.734	20	30		CFEDRM
C#CCOc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1	ZINC000872842442	641950071	/nfs/dbraw/zinc/95/00/71/641950071.db2.gz	AUFIBJKZXUKKJG-UHFFFAOYSA-N	-1	0	299.326	2.592	20	30		CFEDRM
C#CCN(C(=O)CC1(CC(=O)[O-])CCCC1)C1CCCC1	ZINC000872953533	641971073	/nfs/dbraw/zinc/97/10/73/641971073.db2.gz	KHUOKYFQNBQRDI-UHFFFAOYSA-N	-1	0	291.391	2.816	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872981127	641976161	/nfs/dbraw/zinc/97/61/61/641976161.db2.gz	RBKWAEFMVZAPBD-NEPJUHHUSA-N	-1	0	299.436	2.834	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)C[C@H](C(=O)[O-])c2ccccc2)C1	ZINC000872981881	641977051	/nfs/dbraw/zinc/97/70/51/641977051.db2.gz	OTIDVXPMTCLPMZ-HOCLYGCPSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000873002130	641981797	/nfs/dbraw/zinc/98/17/97/641981797.db2.gz	ANHQUCHGZWQPGF-OAHLLOKOSA-N	-1	0	269.385	2.986	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000873005831	641982641	/nfs/dbraw/zinc/98/26/41/641982641.db2.gz	RDDLQYMOABWKQL-OLZOCXBDSA-N	-1	0	281.396	2.986	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(C#N)c(F)cc1C	ZINC000873005090	641982684	/nfs/dbraw/zinc/98/26/84/641982684.db2.gz	PDHCEIDEORLBDH-HNNXBMFYSA-N	-1	0	292.310	2.835	20	30		CFEDRM
C#C[C@H]1CC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000873004458	641982719	/nfs/dbraw/zinc/98/27/19/641982719.db2.gz	KTHWMJMPJVYTPK-CKEIUWERSA-N	-1	0	293.407	2.822	20	30		CFEDRM
COc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C#N	ZINC000874052630	642329504	/nfs/dbraw/zinc/32/95/04/642329504.db2.gz	NCFYPOMQGWXUJS-UHFFFAOYSA-N	-1	0	274.320	2.622	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874408552	642380728	/nfs/dbraw/zinc/38/07/28/642380728.db2.gz	RNNGYDZSBQCORD-UHFFFAOYSA-N	-1	0	290.363	2.786	20	30		CFEDRM
C=CCC1(C(=O)[N-]Oc2ccccc2F)CCOCC1	ZINC000874911436	642550338	/nfs/dbraw/zinc/55/03/38/642550338.db2.gz	TUUVVSJCZNEQKE-UHFFFAOYSA-N	-1	0	279.311	2.609	20	30		CFEDRM
N#Cc1ccc(OCC(=O)[O-])cc1-c1ccc(C=O)c(F)c1	ZINC000874973117	642568992	/nfs/dbraw/zinc/56/89/92/642568992.db2.gz	DZTLPOKRYOJWJF-UHFFFAOYSA-N	-1	0	299.257	2.640	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000085329328	650788019	/nfs/dbraw/zinc/78/80/19/650788019.db2.gz	UDAAYCCILGFUFZ-PWSUYJOCSA-N	-1	0	264.712	2.877	20	30		CFEDRM
COc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(C)c1	ZINC000086055203	650794649	/nfs/dbraw/zinc/79/46/49/650794649.db2.gz	LBVURAVOCOTHDI-UHFFFAOYSA-N	-1	0	297.376	2.581	20	30		CFEDRM
O=C(CCc1ccccc1)[N-]S(=O)(=O)C1CCCC1	ZINC000086055186	650794923	/nfs/dbraw/zinc/79/49/23/650794923.db2.gz	DFGBAMGHJOGXOE-UHFFFAOYSA-N	-1	0	281.377	2.848	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000089964439	650860232	/nfs/dbraw/zinc/86/02/32/650860232.db2.gz	BKSMRPRLGZKKTL-BAQGIRSFSA-N	-1	0	273.741	2.951	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CCCC=C)c1ccccc1	ZINC000880079318	644525045	/nfs/dbraw/zinc/52/50/45/644525045.db2.gz	NRCVEKYHLUSZKK-OAHLLOKOSA-N	-1	0	257.333	2.808	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(Cl)s1	ZINC000211162662	644842057	/nfs/dbraw/zinc/84/20/57/644842057.db2.gz	ILAUTRVAWIAXJC-XQRVVYSFSA-N	-1	0	285.752	2.514	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)oc1C	ZINC000128710804	644874481	/nfs/dbraw/zinc/87/44/81/644874481.db2.gz	GETUTCHUWXTFHP-AWEZNQCLSA-N	-1	0	296.326	2.535	20	30		CFEDRM
O=C(/C=C\c1cccc(O)c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000220374642	647117530	/nfs/dbraw/zinc/11/75/30/647117530.db2.gz	HCTUKFQABLRBBO-XQRVVYSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H]2CC3(CCC3)CO2)c1	ZINC000887270713	647257320	/nfs/dbraw/zinc/25/73/20/647257320.db2.gz	RZVSOLVZFRECEP-KHAFMBKQSA-N	-1	0	290.319	2.679	20	30		CFEDRM
C=C1CCC(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000887325597	647272148	/nfs/dbraw/zinc/27/21/48/647272148.db2.gz	UVEDYAPDRGRJJB-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)CC1	ZINC000887327144	647272997	/nfs/dbraw/zinc/27/29/97/647272997.db2.gz	YNUHFRDMLJZQKM-AWEZNQCLSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)O[C@@H](C)CC(C)C)C(=O)[O-]	ZINC000926464102	648497667	/nfs/dbraw/zinc/49/76/67/648497667.db2.gz	QNYCLTDCDCFTMA-QWRGUYRKSA-N	-1	0	257.330	2.567	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000931625905	649465604	/nfs/dbraw/zinc/46/56/04/649465604.db2.gz	KHUQEOZZHJQUGD-SNVBAGLBSA-N	-1	0	287.319	2.571	20	30		CFEDRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-]	ZINC000098085213	651067623	/nfs/dbraw/zinc/06/76/23/651067623.db2.gz	XRAHHIWSKGILGK-FPYGCLRLSA-N	-1	0	285.255	2.902	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)sc1C	ZINC000119750545	651300403	/nfs/dbraw/zinc/30/04/03/651300403.db2.gz	FTJOBFWSFIFIDO-LBPRGKRZSA-N	-1	0	290.388	2.746	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])c(F)c2F)n1	ZINC001243508845	782244529	/nfs/dbraw/zinc/24/45/29/782244529.db2.gz	GNWAWQUFWXMESM-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(C(=O)[O-])c(F)c3F)cn12	ZINC001243516571	782250984	/nfs/dbraw/zinc/25/09/84/782250984.db2.gz	URZCNZJTOFDNOM-UHFFFAOYSA-N	-1	0	299.236	2.849	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240587	776762849	/nfs/dbraw/zinc/76/28/49/776762849.db2.gz	WVBNDQQFYBJCPX-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
CCCn1nccc1Nc1cc(C#N)c(F)cc1[O-]	ZINC001210918808	770397713	/nfs/dbraw/zinc/39/77/13/770397713.db2.gz	VPVNKLCIHBYNKX-UHFFFAOYSA-N	-1	0	260.272	2.753	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000588476384	770794978	/nfs/dbraw/zinc/79/49/78/770794978.db2.gz	KVOFJAJVPDLHRV-RQOWECAXSA-N	-1	0	284.271	2.900	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ccncc2)c1[O-]	ZINC000255437927	770819091	/nfs/dbraw/zinc/81/90/91/770819091.db2.gz	MLVUSYBNWDONRH-PXNMLYILSA-N	-1	0	291.694	2.968	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C\c2ccc(F)nc2)cs1	ZINC000588524058	770931122	/nfs/dbraw/zinc/93/11/22/770931122.db2.gz	RUDYQHIARHWSTG-IWQZZHSRSA-N	-1	0	277.276	2.877	20	30		CFEDRM
Cc1cc(Nc2ccc(N)cc2C#N)cc(C(=O)[O-])c1	ZINC001211547633	770933065	/nfs/dbraw/zinc/93/30/65/770933065.db2.gz	VJHJQHPMWOGJLS-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=CCCCCCCCCOC(=O)[C@H](O)CCC(=O)[O-]	ZINC001224505627	775205918	/nfs/dbraw/zinc/20/59/18/775205918.db2.gz	KZCLEYYZYUHZAC-CYBMUJFWSA-N	-1	0	286.368	2.672	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(C#N)c(C#N)cc1N	ZINC001211624741	775301394	/nfs/dbraw/zinc/30/13/94/775301394.db2.gz	SAPYZNPQAZSUCJ-UHFFFAOYSA-N	-1	0	292.298	2.762	20	30		CFEDRM
N#CC[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225019652	775337567	/nfs/dbraw/zinc/33/75/67/775337567.db2.gz	ZLCUYMWLNMUWPC-CYBMUJFWSA-N	-1	0	283.264	2.616	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@H](C)c2ncccc2F)[nH]1	ZINC001225470107	775468906	/nfs/dbraw/zinc/46/89/06/775468906.db2.gz	QWTKJXCEANSWKJ-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C[C@H](C#C[Si](C)(C)C)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225516464	775488111	/nfs/dbraw/zinc/48/81/11/775488111.db2.gz	CPMFEOCPHVCBSK-LLVKDONJSA-N	-1	0	298.436	2.581	20	30		CFEDRM
C#C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1	ZINC001225562179	775501654	/nfs/dbraw/zinc/50/16/54/775501654.db2.gz	FPBSNJYGBVXLCK-JTQLQIEISA-N	-1	0	260.680	2.589	20	30		CFEDRM
C=C(C)C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C(=C)C	ZINC001225664308	775547398	/nfs/dbraw/zinc/54/73/98/775547398.db2.gz	MYJLVWDJKBFMEP-NSHDSACASA-N	-1	0	264.281	2.985	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)ncc2F)O1	ZINC001225881704	775622448	/nfs/dbraw/zinc/62/24/48/775622448.db2.gz	LMPDXEPRHNNIQQ-IINYFYTJSA-N	-1	0	282.315	2.602	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)ncc2F)C(C)(C)O1	ZINC001225884664	775623310	/nfs/dbraw/zinc/62/33/10/775623310.db2.gz	HWWURAODLNFYHK-HZMBPMFUSA-N	-1	0	282.315	2.602	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226012771	775667309	/nfs/dbraw/zinc/66/73/09/775667309.db2.gz	FLAIXIXVHOKSFS-LDYMZIIASA-N	-1	0	250.273	2.755	20	30		CFEDRM
N#Cc1c(O[C@@H]2CC[C@@H](C#N)C2)[n-]c(=O)cc1C(F)(F)F	ZINC001226063304	775685102	/nfs/dbraw/zinc/68/51/02/775685102.db2.gz	FQHMQTXBVBXTOV-HTQZYQBOSA-N	-1	0	297.236	2.749	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226067216	775686996	/nfs/dbraw/zinc/68/69/96/775686996.db2.gz	FQBUYOGOHJXQFD-QMMMGPOBSA-N	-1	0	284.237	2.858	20	30		CFEDRM
O/N=C/c1cccc(OC2CCC3(CC2)OCCO3)c1	ZINC001226110971	775702388	/nfs/dbraw/zinc/70/23/88/775702388.db2.gz	ZTIOWRNINRLVJA-LFIBNONCSA-N	-1	0	277.320	2.559	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](Oc2nc(C)cc(=O)[n-]2)C(C)(C)O1	ZINC001226159590	775720599	/nfs/dbraw/zinc/72/05/99/775720599.db2.gz	QZVVWOJJWRHSDL-NHYWBVRUSA-N	-1	0	278.352	2.772	20	30		CFEDRM
C=C[C@]1(C)CC[C@@H](Oc2nc(C)cc(=O)[n-]2)C(C)(C)O1	ZINC001226159589	775721114	/nfs/dbraw/zinc/72/11/14/775721114.db2.gz	QZVVWOJJWRHSDL-IAQYHMDHSA-N	-1	0	278.352	2.772	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000136200734	775741012	/nfs/dbraw/zinc/74/10/12/775741012.db2.gz	HSCXGHKUXVDZPO-ZDUSSCGKSA-N	-1	0	280.711	2.917	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCCC[C@H]2F)c1C#N	ZINC001226223356	775742439	/nfs/dbraw/zinc/74/24/39/775742439.db2.gz	OUDSKUHRHAPETC-MNOVXSKESA-N	-1	0	250.273	2.627	20	30		CFEDRM
CC[C@@H](C#Cc1ccccc1)Oc1nc(C)[n-]c(=O)c1F	ZINC001226425375	775818659	/nfs/dbraw/zinc/81/86/59/775818659.db2.gz	VTTQNTKGJRBHJJ-ZDUSSCGKSA-N	-1	0	286.306	2.839	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556586	775873189	/nfs/dbraw/zinc/87/31/89/775873189.db2.gz	PRLOVABOSDSGFX-WCBMZHEXSA-N	-1	0	289.722	2.565	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226785769	775962596	/nfs/dbraw/zinc/96/25/96/775962596.db2.gz	OJXPIQOZLAACTH-MRVPVSSYSA-N	-1	0	264.354	2.765	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[n-]c(=O)nc2nc[nH]c21	ZINC001227071068	776083689	/nfs/dbraw/zinc/08/36/89/776083689.db2.gz	VKSCQNAOXSWCKD-DCAQKATOSA-N	-1	0	288.351	2.818	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111742	776101043	/nfs/dbraw/zinc/10/10/43/776101043.db2.gz	QMMCSFCNPMYKFO-SECBINFHSA-N	-1	0	254.717	2.571	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716162	776268267	/nfs/dbraw/zinc/26/82/67/776268267.db2.gz	LSECSZDQQMYVQJ-NXEZZACHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
CCCCCCC[C@H](C)Oc1nnc(C(=O)OC)[n-]1	ZINC001228310274	776453874	/nfs/dbraw/zinc/45/38/74/776453874.db2.gz	DQMBWEROVREHBJ-JTQLQIEISA-N	-1	0	269.345	2.719	20	30		CFEDRM
Cc1ncccc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1	ZINC001204655980	776468957	/nfs/dbraw/zinc/46/89/57/776468957.db2.gz	CUBXFEXEIDIEBD-UHFFFAOYSA-N	-1	0	280.307	2.642	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(=O)nc2ncn(C)c21)c1ccccc1	ZINC001228674129	776561914	/nfs/dbraw/zinc/56/19/14/776561914.db2.gz	LDQNJMAFUZLJDJ-GFCCVEGCSA-N	-1	0	296.330	2.765	20	30		CFEDRM
C=C[C@H](CCC)Oc1cc(O)cc([O-])c1[N+](=O)[O-]	ZINC001228969718	776672911	/nfs/dbraw/zinc/67/29/11/776672911.db2.gz	ASELQEBFMMVXKD-SECBINFHSA-N	-1	0	253.254	2.740	20	30		CFEDRM
[O-]/N=C(\O[C@H]1CCOC[C@@H]1F)c1ccc(Cl)cc1	ZINC001223593674	776738530	/nfs/dbraw/zinc/73/85/30/776738530.db2.gz	MCNLYTSKUZHWHD-GTNCLJFYSA-N	-1	0	273.691	2.619	20	30		CFEDRM
N#Cc1cccc(O)c1Nc1ccsc1C(=O)[O-]	ZINC001215395258	776755265	/nfs/dbraw/zinc/75/52/65/776755265.db2.gz	HXZNVUWONSQFCX-UHFFFAOYSA-N	-1	0	260.274	2.767	20	30		CFEDRM
C#C[C@@H](CC)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229355438	776788356	/nfs/dbraw/zinc/78/83/56/776788356.db2.gz	HHWGRMIRQVJGJV-NSHDSACASA-N	-1	0	290.340	2.877	20	30		CFEDRM
C[C@H](Oc1ccc([N+](=O)[O-])c(C#N)c1)C1=CC=C[CH]1	ZINC001229526220	776841635	/nfs/dbraw/zinc/84/16/35/776841635.db2.gz	WFHYPVJNXKLQFH-JTQLQIEISA-N	-1	0	255.253	2.934	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1ccccc1-c1nn[nH]n1	ZINC001229951043	776923222	/nfs/dbraw/zinc/92/32/22/776923222.db2.gz	OYZARAYDEQPGSR-NSHDSACASA-N	-1	0	258.325	2.990	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(Cl)[n-]c(=O)n1	ZINC001230240585	776963543	/nfs/dbraw/zinc/96/35/43/776963543.db2.gz	MZHMWIRNFAXIGJ-LPEHRKFASA-N	-1	0	283.759	2.990	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ncc(C(=O)OC)[n-]1	ZINC001230282029	776971442	/nfs/dbraw/zinc/97/14/42/776971442.db2.gz	NXYQACHTQLWUKC-MDZLAQPJSA-N	-1	0	278.352	2.956	20	30		CFEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1ccccc1[S-]	ZINC001225583782	777056717	/nfs/dbraw/zinc/05/67/17/777056717.db2.gz	KFKCGYZPEASXPN-SNVBAGLBSA-N	-1	0	252.335	2.862	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862722	777077367	/nfs/dbraw/zinc/07/73/67/777077367.db2.gz	SYNVBXJJALXMBW-IINYFYTJSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230862724	777077419	/nfs/dbraw/zinc/07/74/19/777077419.db2.gz	SYNVBXJJALXMBW-YGRLFVJLSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)C(C)C	ZINC001231074186	777133197	/nfs/dbraw/zinc/13/31/97/777133197.db2.gz	MGWQIVWKQJKSKJ-LLVKDONJSA-N	-1	0	260.268	2.511	20	30		CFEDRM
C=C[C@H](CCCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231077258	777134224	/nfs/dbraw/zinc/13/42/24/777134224.db2.gz	UAJXZCIJGCVEST-SSDOTTSWSA-N	-1	0	287.703	2.867	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])c1ccccc1	ZINC001231259065	777178480	/nfs/dbraw/zinc/17/84/80/777178480.db2.gz	DZEPDUDMXJIXLD-ZDUSSCGKSA-N	-1	0	284.271	2.757	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231262902	777180417	/nfs/dbraw/zinc/18/04/17/777180417.db2.gz	HVRRNKISRPSWFU-LLVKDONJSA-N	-1	0	290.319	2.987	20	30		CFEDRM
C#C[C@H](CCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265052	777181542	/nfs/dbraw/zinc/18/15/42/777181542.db2.gz	VZBSMWWELQZMCM-SNVBAGLBSA-N	-1	0	264.281	2.575	20	30		CFEDRM
C=C[C@H](CCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231265174	777181639	/nfs/dbraw/zinc/18/16/39/777181639.db2.gz	ZPOOQNNASIZGLO-SECBINFHSA-N	-1	0	252.270	2.737	20	30		CFEDRM
C=CC[C@H](Oc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1	ZINC001231307705	777188118	/nfs/dbraw/zinc/18/81/18/777188118.db2.gz	IUTBTVSTYHWQTK-JTQLQIEISA-N	-1	0	265.700	2.860	20	30		CFEDRM
C=C[C@H](C#CC(C)(C)C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226224037	777482768	/nfs/dbraw/zinc/48/27/68/777482768.db2.gz	YVVNYYCHKSYUJT-GFCCVEGCSA-N	-1	0	270.332	2.950	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226555642	777572713	/nfs/dbraw/zinc/57/27/13/777572713.db2.gz	DZBPDVMHFOVROG-MRVPVSSYSA-N	-1	0	277.711	2.565	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCc3ncc(Cl)cc3C2)c1	ZINC001232678343	777638982	/nfs/dbraw/zinc/63/89/82/777638982.db2.gz	VWQPKOAYOLRXJC-UHFFFAOYSA-N	-1	0	299.761	2.871	20	30		CFEDRM
N#Cc1ccc([O-])c(C[N@@H+]2CCc3c(F)cccc3C2)c1	ZINC001232679019	777640273	/nfs/dbraw/zinc/64/02/73/777640273.db2.gz	YKWSDIRGXVXHKR-UHFFFAOYSA-N	-1	0	282.318	2.961	20	30		CFEDRM
CC#CC[C@H](CC)Oc1nc(=O)[n-]c(C)c1Cl	ZINC001227111836	777765869	/nfs/dbraw/zinc/76/58/69/777765869.db2.gz	RFNZTUHAXYDAIN-VIFPVBQESA-N	-1	0	254.717	2.715	20	30		CFEDRM
C=CCC[C@H](CC)Oc1[n-]c(=O)nc2ncsc21	ZINC001227609103	777858579	/nfs/dbraw/zinc/85/85/79/777858579.db2.gz	FONTUJNAZJSRPL-QMMMGPOBSA-N	-1	0	265.338	2.916	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccsc1	ZINC000127308299	777976671	/nfs/dbraw/zinc/97/66/71/777976671.db2.gz	IBEKURRORJKTPL-GFCCVEGCSA-N	-1	0	276.361	2.519	20	30		CFEDRM
C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1C#N	ZINC001233589503	778000471	/nfs/dbraw/zinc/00/04/71/778000471.db2.gz	JWQZVSCUVXSXPB-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1cc([O-])cc2occc(=O)c12	ZINC001233834606	778090112	/nfs/dbraw/zinc/09/01/12/778090112.db2.gz	PBPKQPXACXOGGM-GXFFZTMASA-N	-1	0	270.284	2.679	20	30		CFEDRM
C#C[C@@H](Oc1cc([O-])cc2occc(=O)c12)c1ccncc1	ZINC001233832641	778090830	/nfs/dbraw/zinc/09/08/30/778090830.db2.gz	DFIDCMPESHUMKC-CQSZACIVSA-N	-1	0	293.278	2.647	20	30		CFEDRM
C#CC[C@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835324	778091397	/nfs/dbraw/zinc/09/13/97/778091397.db2.gz	XPFWYZYLZOOYRD-NSHDSACASA-N	-1	0	258.273	2.679	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CCC(C#N)CC3)c2c1	ZINC001234516475	778240821	/nfs/dbraw/zinc/24/08/21/778240821.db2.gz	VARJKTZZEGCGOO-UHFFFAOYSA-N	-1	0	294.314	2.668	20	30		CFEDRM
Cc1c(C)n(-c2cc(Cl)cc(C(=O)[O-])c2)c(N)c1C#N	ZINC001211958198	778295903	/nfs/dbraw/zinc/29/59/03/778295903.db2.gz	FASKPEGUVMCNHD-UHFFFAOYSA-N	-1	0	289.722	2.900	20	30		CFEDRM
C#CC[C@H](C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815607	778300344	/nfs/dbraw/zinc/30/03/44/778300344.db2.gz	XOLMZQVCEGBBEY-VIFPVBQESA-N	-1	0	258.273	2.598	20	30		CFEDRM
CCC1=C(Oc2nc3ccsc3[n-]2)C(=O)[C@@H](C)O1	ZINC001234847866	778307832	/nfs/dbraw/zinc/30/78/32/778307832.db2.gz	MJNMPWOZXYXOMZ-ZCFIWIBFSA-N	-1	0	264.306	2.613	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3ccc(C=CC(=O)[O-])cc3)c12	ZINC001235027510	778358589	/nfs/dbraw/zinc/35/85/89/778358589.db2.gz	BFLQPHBPGHBDRB-ZZXKWVIFSA-N	-1	0	290.282	2.546	20	30		CFEDRM
Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C	ZINC000128008444	778470866	/nfs/dbraw/zinc/47/08/66/778470866.db2.gz	PLZWLOXSDUGCBG-MOEXGYKKSA-N	-1	0	284.311	2.532	20	30		CFEDRM
N#Cc1cc(-c2ccccc2S(=O)(=O)[O-])ccc1F	ZINC001235893676	778595086	/nfs/dbraw/zinc/59/50/86/778595086.db2.gz	OFOXZAHEMAPIPB-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3ccc(C(=O)[O-])cc3)c2c1	ZINC001236054131	778670630	/nfs/dbraw/zinc/67/06/30/778670630.db2.gz	RGLBNIHWCOYWQT-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1ccc(C(=O)[O-])cc1	ZINC001236055852	778671468	/nfs/dbraw/zinc/67/14/68/778671468.db2.gz	OHYSQMJXTIJFAY-UHFFFAOYSA-N	-1	0	298.298	2.610	20	30		CFEDRM
N#Cc1cc(Nc2ccncc2Cl)c([O-])cc1F	ZINC001212159971	778779289	/nfs/dbraw/zinc/77/92/89/778779289.db2.gz	GDQIYBLTKJKVKB-UHFFFAOYSA-N	-1	0	263.659	2.617	20	30		CFEDRM
COC(=O)c1cc(C#N)cnc1-c1c(F)ccc(C)c1[O-]	ZINC001236390726	778799712	/nfs/dbraw/zinc/79/97/12/778799712.db2.gz	HKYLQRHKCNXHJH-UHFFFAOYSA-N	-1	0	286.262	2.560	20	30		CFEDRM
N#Cc1ccc(-c2cccc(S(=O)(=O)[O-])c2)c(F)c1	ZINC001236531561	778866102	/nfs/dbraw/zinc/86/61/02/778866102.db2.gz	BOJBMLWDWMUFSG-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#C[C@H]1CCCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237538799	779129079	/nfs/dbraw/zinc/12/90/79/779129079.db2.gz	NKVBPUOLNNQXBY-MRVPVSSYSA-N	-1	0	286.162	2.830	20	30		CFEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(F)c1[O-]	ZINC001237622845	779147507	/nfs/dbraw/zinc/14/75/07/779147507.db2.gz	DDXPWZSGKFUGRD-UWVGGRQHSA-N	-1	0	272.682	2.621	20	30		CFEDRM
CC1(C#N)CN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237983029	779220906	/nfs/dbraw/zinc/22/09/06/779220906.db2.gz	CJCQVXCHHYMDQT-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#C[C@@H]1CCCN1Cc1cc(F)c([O-])c(Cl)c1	ZINC001237988845	779222225	/nfs/dbraw/zinc/22/22/25/779222225.db2.gz	GRZHMNGVWKAEBI-VIFPVBQESA-N	-1	0	254.692	2.673	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(F)c([O-])c(Cl)c1	ZINC001237998967	779226501	/nfs/dbraw/zinc/22/65/01/779226501.db2.gz	ZGTFTZGSMHEVDE-UHFFFAOYSA-N	-1	0	281.718	2.814	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1-c1cncc(C(=O)[O-])n1	ZINC001238838254	779402391	/nfs/dbraw/zinc/40/23/91/779402391.db2.gz	LEYSJBSECLQPDC-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])cc2F)nc1F	ZINC001239248924	779483881	/nfs/dbraw/zinc/48/38/81/779483881.db2.gz	BCSPABXNMLUUNN-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)nc1	ZINC001239332994	779522844	/nfs/dbraw/zinc/52/28/44/779522844.db2.gz	VFUSRFBBZOSUDQ-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
N#CCc1cnc(F)c(-c2cc(F)c(C(=O)[O-])c(F)c2)c1	ZINC001239363557	779539294	/nfs/dbraw/zinc/53/92/94/779539294.db2.gz	UNYWLIIRHIQIOO-UHFFFAOYSA-N	-1	0	292.216	2.930	20	30		CFEDRM
[O-]/N=C/c1cc(-c2cncnc2)cc(C(F)(F)F)c1	ZINC001240377516	780121371	/nfs/dbraw/zinc/12/13/71/780121371.db2.gz	ZGFLGPQLTVGUQI-JJPRUIFNSA-N	-1	0	267.210	2.971	20	30		CFEDRM
N#Cc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240548713	780242918	/nfs/dbraw/zinc/24/29/18/780242918.db2.gz	XCGXXVJBLHIVPI-BQYQJAHWSA-N	-1	0	250.257	2.718	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ncccc1CC#N	ZINC001240733969	780400973	/nfs/dbraw/zinc/40/09/73/780400973.db2.gz	ZXIBWTJMWBEOLI-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C#N)c(C)cn1	ZINC001240735856	780402714	/nfs/dbraw/zinc/40/27/14/780402714.db2.gz	WUQUYGPYTDIXBK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccnc(CC#N)c1	ZINC001240735800	780403144	/nfs/dbraw/zinc/40/31/44/780403144.db2.gz	FBMRKDSQBZKINI-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C#N)nc(C2CC2)n1	ZINC001240735284	780403296	/nfs/dbraw/zinc/40/32/96/780403296.db2.gz	MPOJEBXZGYDGFY-UHFFFAOYSA-N	-1	0	295.298	2.599	20	30		CFEDRM
COc1cc(-c2nc(C)ccc2C#N)ccc1C(=O)[O-]	ZINC001240742142	780407546	/nfs/dbraw/zinc/40/75/46/780407546.db2.gz	ZGEYMGFIDANZBK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccccc1	ZINC001143136680	780460798	/nfs/dbraw/zinc/46/07/98/780460798.db2.gz	RQUSYZZYROASAV-CQSZACIVSA-N	-1	0	287.265	2.775	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccc(CC(=O)[O-])cc3)cnc12	ZINC001240975987	780564572	/nfs/dbraw/zinc/56/45/72/780564572.db2.gz	NROGYVFMNIEVQR-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
Cc1nccc(-c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001240978148	780566404	/nfs/dbraw/zinc/56/64/04/780566404.db2.gz	SLFAPPQCHLNBFW-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)cn1	ZINC001240999840	780583714	/nfs/dbraw/zinc/58/37/14/780583714.db2.gz	WOPPUCPVMYGKIH-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1	ZINC000133191868	780631589	/nfs/dbraw/zinc/63/15/89/780631589.db2.gz	LALKTDVKDNJMNP-OAHLLOKOSA-N	-1	0	294.310	2.547	20	30		CFEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])c(F)c2)c1C#N	ZINC001241182714	780687171	/nfs/dbraw/zinc/68/71/71/780687171.db2.gz	WZLGATOAJGDXSI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1F	ZINC001241183857	780688804	/nfs/dbraw/zinc/68/88/04/780688804.db2.gz	FKRFYAMOYUVOJA-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1ccc(-c2ccc(C(=O)[O-])c(F)c2)c(C#N)n1	ZINC001241185519	780689876	/nfs/dbraw/zinc/68/98/76/780689876.db2.gz	SWQDBGHEWXWGRO-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ncccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241187301	780691927	/nfs/dbraw/zinc/69/19/27/780691927.db2.gz	MCKLRDVMHUEERO-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(F)c(C(=O)[O-])c2)c1F	ZINC001241242918	780726865	/nfs/dbraw/zinc/72/68/65/780726865.db2.gz	CNTMQXGPAWEVHQ-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(F)c(C(=O)[O-])c3)cc12	ZINC001241245392	780730260	/nfs/dbraw/zinc/73/02/60/780730260.db2.gz	AOJUKMAVFPIFQP-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3ccc(C(=O)[O-])c(Cl)c3)c12	ZINC001241344823	780799248	/nfs/dbraw/zinc/79/92/48/780799248.db2.gz	UQBBMAMOTJKGIT-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
N#Cc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)cc2nc[nH]c21	ZINC001241346142	780799819	/nfs/dbraw/zinc/79/98/19/780799819.db2.gz	YANCBSGOWCMHFI-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2)nc(C)c1C#N	ZINC001241358414	780807344	/nfs/dbraw/zinc/80/73/44/780807344.db2.gz	ZBUISSXADNUHQB-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cc2nc(-c3cccc(C(=O)[O-])c3)ccc2[nH]1	ZINC001241358546	780809088	/nfs/dbraw/zinc/80/90/88/780809088.db2.gz	UBKZZDZUOGZIRF-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1	ZINC000703687508	781048320	/nfs/dbraw/zinc/04/83/20/781048320.db2.gz	KDZOTKTVUCUFJQ-HZSPNIEDSA-N	-1	0	279.380	2.692	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000703741696	781053817	/nfs/dbraw/zinc/05/38/17/781053817.db2.gz	YNUBTFUWLAXUSZ-QWHCGFSZSA-N	-1	0	284.400	2.709	20	30		CFEDRM
Cc1ccnc(F)c1Nc1cc(C#N)c(F)cc1[O-]	ZINC001212559471	781057652	/nfs/dbraw/zinc/05/76/52/781057652.db2.gz	RNYPOPUKQXFWSF-UHFFFAOYSA-N	-1	0	261.231	2.989	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccoc1CC(=O)[O-]	ZINC000703995096	781086391	/nfs/dbraw/zinc/08/63/91/781086391.db2.gz	CRTQUQAVJOBGRH-UHFFFAOYSA-N	-1	0	279.336	2.629	20	30		CFEDRM
N#CC1(c2ccc(-c3cncc(C(=O)[O-])c3)nc2)CCC1	ZINC001241800483	781131534	/nfs/dbraw/zinc/13/15/34/781131534.db2.gz	XINOAIROWUVMSZ-UHFFFAOYSA-N	-1	0	279.299	2.787	20	30		CFEDRM
Cc1nc(-c2cncc(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC001241801065	781132434	/nfs/dbraw/zinc/13/24/34/781132434.db2.gz	UZKCINYSCCHVKD-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
N#Cc1ccc2nccc(-c3cncc(C(=O)[O-])c3)c2c1	ZINC001241801526	781132689	/nfs/dbraw/zinc/13/26/89/781132689.db2.gz	NSPOCXHFFOMDTQ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3cncc(C(=O)[O-])c3)ccc12	ZINC001241803056	781134299	/nfs/dbraw/zinc/13/42/99/781134299.db2.gz	MOSUTTRERILLIM-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
N#CCc1c[nH]c2cccc(-c3cncc(C(=O)[O-])c3)c12	ZINC001241804429	781136142	/nfs/dbraw/zinc/13/61/42/781136142.db2.gz	UDMIJVRWRMEHKU-UHFFFAOYSA-N	-1	0	277.283	2.994	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241828692	781146950	/nfs/dbraw/zinc/14/69/50/781146950.db2.gz	GMTZOXHEPFPIKK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
CC#Cc1cncc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241834460	781149205	/nfs/dbraw/zinc/14/92/05/781149205.db2.gz	RDSSDVIFUVYZHL-UHFFFAOYSA-N	-1	0	255.248	2.957	20	30		CFEDRM
COc1ccc(-c2cc(C#N)cc(C)n2)cc1C(=O)[O-]	ZINC001241862300	781157408	/nfs/dbraw/zinc/15/74/08/781157408.db2.gz	QPAFMCMCRZKXTC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(-c2cc(C#N)cc(C#N)c2)cc1C(=O)[O-]	ZINC001241875603	781162118	/nfs/dbraw/zinc/16/21/18/781162118.db2.gz	WAPFJGDOYVVBQY-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
N#Cc1ccnc(-c2ccc([O-])c(C(F)(F)F)c2)n1	ZINC001242148071	781300705	/nfs/dbraw/zinc/30/07/05/781300705.db2.gz	LFRZMFJWHCFQQO-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncccc1CC#N	ZINC001242203981	781324817	/nfs/dbraw/zinc/32/48/17/781324817.db2.gz	DOQGGRCOSFRPPB-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cncc(CC#N)c1	ZINC001242210877	781328278	/nfs/dbraw/zinc/32/82/78/781328278.db2.gz	OPYZHZMUVBEKRN-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cncc(F)c1C#N	ZINC001242211308	781328487	/nfs/dbraw/zinc/32/84/87/781328487.db2.gz	VRESCLUOLBYENV-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(F)cc1[O-]	ZINC001242216632	781332393	/nfs/dbraw/zinc/33/23/93/781332393.db2.gz	CAFFVKONBWIZEN-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
CCc1nnc(-c2ccc(F)cc2[O-])c(C#N)c1CC	ZINC001242218041	781333513	/nfs/dbraw/zinc/33/35/13/781333513.db2.gz	XXHJVGIPZLXVPC-UHFFFAOYSA-N	-1	0	271.295	2.985	20	30		CFEDRM
O=C([O-])Cc1cccc(-c2ccccc2C=NO)c1	ZINC001242265204	781350226	/nfs/dbraw/zinc/35/02/26/781350226.db2.gz	AJIJREFKVCRVBA-UHFFFAOYSA-N	-1	0	255.273	2.789	20	30		CFEDRM
C#Cc1ccc(-c2c(C)nc([O-])n([C@H](C)CC)c2=O)cc1	ZINC001242294340	781374857	/nfs/dbraw/zinc/37/48/57/781374857.db2.gz	CEEIWDPULDDFGZ-LLVKDONJSA-N	-1	0	282.343	2.877	20	30		CFEDRM
CC1(C)CC(=O)C=C(c2ccccc2S(=O)(=O)[O-])C1	ZINC001242316392	781393608	/nfs/dbraw/zinc/39/36/08/781393608.db2.gz	DVHRWYQKMOSBHT-UHFFFAOYSA-N	-1	0	280.345	2.706	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])nc2)cc1C(F)(F)F	ZINC001242333773	781403403	/nfs/dbraw/zinc/40/34/03/781403403.db2.gz	NBENXVPTXHRYDM-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#Cc1cc2c(cccc2-c2ccc(C(=O)[O-])nc2)[nH]1	ZINC001242336358	781407057	/nfs/dbraw/zinc/40/70/57/781407057.db2.gz	LHXIRDLPALFREM-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
CO/N=C/c1cc(-c2ccc(C(=O)[O-])nc2)cc(F)c1F	ZINC001242337263	781408018	/nfs/dbraw/zinc/40/80/18/781408018.db2.gz	DNIDBAMECDKPSJ-CNHKJKLMSA-N	-1	0	292.241	2.705	20	30		CFEDRM
Cc1cc(-c2cccc(C(=O)[O-])c2F)ncc1C#N	ZINC001242377980	781446944	/nfs/dbraw/zinc/44/69/44/781446944.db2.gz	KYDJQCSFKMHCOI-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(C#N)cc(-c2cccc(C(=O)[O-])c2F)c1	ZINC001242380941	781450696	/nfs/dbraw/zinc/45/06/96/781450696.db2.gz	YNFDGYZWJGHAGW-UHFFFAOYSA-N	-1	0	266.231	2.934	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001242389438	781458334	/nfs/dbraw/zinc/45/83/34/781458334.db2.gz	PXMONEWOMHWEJP-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cccc(S(=O)(=O)[O-])c2)c1	ZINC001242479897	781533785	/nfs/dbraw/zinc/53/37/85/781533785.db2.gz	PEWAGSKVKZHEHH-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
N#Cc1cnc(-c2cccc([O-])c2Cl)c(C#N)c1	ZINC001242798355	781763610	/nfs/dbraw/zinc/76/36/10/781763610.db2.gz	UFPJRDOFHHFAKM-UHFFFAOYSA-N	-1	0	255.664	2.851	20	30		CFEDRM
COC(=O)c1cc(C#N)cnc1-c1cccc([O-])c1Cl	ZINC001242799722	781766265	/nfs/dbraw/zinc/76/62/65/781766265.db2.gz	ZIMWNIIJJRWQOH-UHFFFAOYSA-N	-1	0	288.690	2.766	20	30		CFEDRM
C=CCOc1ccc(-c2ccccc2C(=O)[O-])nc1C#N	ZINC001242878969	781817812	/nfs/dbraw/zinc/81/78/12/781817812.db2.gz	PESXNAKWTQRMFO-UHFFFAOYSA-N	-1	0	280.283	2.883	20	30		CFEDRM
N#Cc1c[nH]c2cc(-c3ccccc3C(=O)[O-])cnc12	ZINC001242879788	781818514	/nfs/dbraw/zinc/81/85/14/781818514.db2.gz	HIEHCZUUAFYJQE-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
C=CCC[C@H](NCc1ncc(CSC)s1)C(=O)[O-]	ZINC001119602087	781831452	/nfs/dbraw/zinc/83/14/52/781831452.db2.gz	PXSNEUILGFQCPW-JTQLQIEISA-N	-1	0	286.422	2.515	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ncc2c(c1C#N)CCC2	ZINC001242919641	781840752	/nfs/dbraw/zinc/84/07/52/781840752.db2.gz	FYNXAICVQIJOFN-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
C=CCCC(=O)[C@H]1CCCN1C(=O)c1c([O-])cccc1F	ZINC000820449510	781868766	/nfs/dbraw/zinc/86/87/66/781868766.db2.gz	UEPUATVVFNLJLS-GFCCVEGCSA-N	-1	0	291.322	2.671	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NC[C@@H](C(=O)[O-])C(C)C)c2c1	ZINC000594540867	349444352	/nfs/dbraw/zinc/44/43/52/349444352.db2.gz	KBICCRNYFHPPFL-CQSZACIVSA-N	-1	0	297.358	2.606	20	30		CFEDRM
C=CCOCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000594736849	349484847	/nfs/dbraw/zinc/48/48/47/349484847.db2.gz	WYCLKVHAYVXPMP-UHFFFAOYSA-N	-1	0	294.307	2.606	20	30		CFEDRM
N#CC1(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)CCCCC1	ZINC000595281108	349589824	/nfs/dbraw/zinc/58/98/24/349589824.db2.gz	IXNQOOZBWZQINA-CYBMUJFWSA-N	-1	0	292.379	2.564	20	30		CFEDRM
CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccn1	ZINC000354464913	529379880	/nfs/dbraw/zinc/37/98/80/529379880.db2.gz	LENFRXGNJHKVIX-DGCLKSJQSA-N	-1	0	296.330	2.539	20	30		CFEDRM
CC1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCCC1	ZINC000069578998	346896307	/nfs/dbraw/zinc/89/63/07/346896307.db2.gz	CMACABCSFXCZIU-UHFFFAOYSA-N	-1	0	267.350	2.912	20	30		CFEDRM
Cc1c(C#N)c(NCC2(C(=O)[O-])CCC2)nc2ccccc12	ZINC000595971430	349772783	/nfs/dbraw/zinc/77/27/83/349772783.db2.gz	MNRIEFUNAQWYPA-UHFFFAOYSA-N	-1	0	295.342	2.504	20	30		CFEDRM
Cc1cc(NC[C@H](C(=O)[O-])C(C)C)cc(C#N)c1[N+](=O)[O-]	ZINC000595969955	349773154	/nfs/dbraw/zinc/77/31/54/349773154.db2.gz	RSCBFMQDGLKFSU-LBPRGKRZSA-N	-1	0	291.307	2.544	20	30		CFEDRM
N#Cc1nc(N2CCC[C@H](CCC(=O)[O-])C2)sc1Cl	ZINC000595977396	349773753	/nfs/dbraw/zinc/77/37/53/349773753.db2.gz	ZIIRTFUEVQJPGA-MRVPVSSYSA-N	-1	0	299.783	2.749	20	30		CFEDRM
N#Cc1nc(NC[C@@H]2CCOC3(CCC3)C2)sc1Cl	ZINC000596255497	349842700	/nfs/dbraw/zinc/84/27/00/349842700.db2.gz	RZCCBBFYUVGVTH-SECBINFHSA-N	-1	0	297.811	2.851	20	30		CFEDRM
N#Cc1nc(NC[C@H](CO)C2CCCCC2)sc1Cl	ZINC000596243035	349838304	/nfs/dbraw/zinc/83/83/04/349838304.db2.gz	FADXGFZDHJEUFX-SNVBAGLBSA-N	-1	0	299.827	2.691	20	30		CFEDRM
CC[C@H](C)[C@H](CN=c1[n-]c(C#N)c(Cl)s1)OC	ZINC000596249660	349840447	/nfs/dbraw/zinc/84/04/47/349840447.db2.gz	JQFREQIZFROXJM-CBAPKCEASA-N	-1	0	273.789	2.563	20	30		CFEDRM
CCC[C@H](C)N(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O	ZINC000073966417	346986678	/nfs/dbraw/zinc/98/66/78/346986678.db2.gz	DFGFKYTUBARKEV-VIFPVBQESA-N	-1	0	293.392	2.641	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ccc(Cl)o2)nc(C)n1	ZINC000075440347	347077118	/nfs/dbraw/zinc/07/71/18/347077118.db2.gz	VLSPXOJXXIPXRJ-SECBINFHSA-N	-1	0	275.695	2.830	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)cc2)cc1C#N	ZINC000027605956	346270697	/nfs/dbraw/zinc/27/06/97/346270697.db2.gz	LAGAHQGJFDMENE-UHFFFAOYSA-N	-1	0	299.355	2.942	20	30		CFEDRM
O=C(C=CC1CC1)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000076762909	347152159	/nfs/dbraw/zinc/15/21/59/347152159.db2.gz	CCKWWMCALZJUEN-VMPITWQZSA-N	-1	0	283.324	2.578	20	30		CFEDRM
C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)C1	ZINC000080251445	347351854	/nfs/dbraw/zinc/35/18/54/347351854.db2.gz	ILBWZOKOXWWCJF-NEPJUHHUSA-N	-1	0	296.392	2.943	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)c1	ZINC000084844204	347475407	/nfs/dbraw/zinc/47/54/07/347475407.db2.gz	XTFACQVTVNYSSO-UHFFFAOYSA-N	-1	0	267.350	2.686	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC(C)C2)cc1	ZINC000084844037	347475684	/nfs/dbraw/zinc/47/56/84/347475684.db2.gz	KPOYREZPOLGPJJ-UHFFFAOYSA-N	-1	0	267.350	2.686	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097066921	347706014	/nfs/dbraw/zinc/70/60/14/347706014.db2.gz	MZHACBKMBZQFJZ-KCJUWKMLSA-N	-1	0	264.712	2.877	20	30		CFEDRM
N#CC(=C([O-])c1cocn1)c1nc(-c2ccncc2)cs1	ZINC000114621240	347774202	/nfs/dbraw/zinc/77/42/02/347774202.db2.gz	NPMSDYNNGWIJLM-JTQLQIEISA-N	-1	0	296.311	2.683	20	30		CFEDRM
N#Cc1cnc2ccccc2c1NCC1(C(=O)[O-])CCC1	ZINC000166685503	348043074	/nfs/dbraw/zinc/04/30/74/348043074.db2.gz	DVTGZQFNORRETN-UHFFFAOYSA-N	-1	0	281.315	2.773	20	30		CFEDRM
N#Cc1c(Br)cccc1NCCCCC(=O)[O-]	ZINC000168395896	348048323	/nfs/dbraw/zinc/04/83/23/348048323.db2.gz	WTERCKKMOKFTPB-UHFFFAOYSA-N	-1	0	297.152	2.988	20	30		CFEDRM
C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1C(=O)[O-]	ZINC000311567898	348413865	/nfs/dbraw/zinc/41/38/65/348413865.db2.gz	QCHYUHGRJMWXAH-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
CCCn1nccc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000584731181	348711136	/nfs/dbraw/zinc/71/11/36/348711136.db2.gz	DTSCFTXFURINBN-SNVBAGLBSA-N	-1	0	274.349	2.548	20	30		CFEDRM
N#CCCCCCC(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000588941112	348805353	/nfs/dbraw/zinc/80/53/53/348805353.db2.gz	WLUUMVSFRALMQD-UHFFFAOYSA-N	-1	0	294.358	2.978	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(C(F)F)o2)cc1Cl	ZINC000590083922	348873116	/nfs/dbraw/zinc/87/31/16/348873116.db2.gz	IXEUHMBDSRTQDG-UHFFFAOYSA-N	-1	0	284.653	2.566	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCc2ccc(C#N)cc2)o1	ZINC000590577396	348910848	/nfs/dbraw/zinc/91/08/48/348910848.db2.gz	BJCHDMSXOVOKIS-UHFFFAOYSA-N	-1	0	270.336	2.663	20	30		CFEDRM
C[C@H](N=c1[n-]c(C2CCC2)no1)c1cccc(C#N)c1	ZINC000590692269	348929379	/nfs/dbraw/zinc/92/93/79/348929379.db2.gz	JRYLJFSQQIWFRN-JTQLQIEISA-N	-1	0	268.320	2.804	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@H]2N=c1[n-]c(C2CCC2)no1	ZINC000590700203	348930994	/nfs/dbraw/zinc/93/09/94/348930994.db2.gz	KRZDJEMIEGXFQL-CQSZACIVSA-N	-1	0	280.331	2.730	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N2CCC(C(=O)[O-])CC2)n1	ZINC000591325032	349009007	/nfs/dbraw/zinc/00/90/07/349009007.db2.gz	MQPIEMWWAPPVQM-UHFFFAOYSA-N	-1	0	287.363	2.552	20	30		CFEDRM
Cc1c(Cl)cnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1C#N	ZINC000592420374	349117939	/nfs/dbraw/zinc/11/79/39/349117939.db2.gz	BUGGATCRKCTGTI-DTWKUNHWSA-N	-1	0	279.727	2.580	20	30		CFEDRM
CC1(C#N)CCN(c2ncc(C(=O)[O-])cc2Cl)CC1	ZINC000592427489	349118389	/nfs/dbraw/zinc/11/83/89/349118389.db2.gz	YDTZFFFWMXYZSU-UHFFFAOYSA-N	-1	0	279.727	2.563	20	30		CFEDRM
N#CCC1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1	ZINC000592426638	349118406	/nfs/dbraw/zinc/11/84/06/349118406.db2.gz	IPBQQPOCBYJCHB-UHFFFAOYSA-N	-1	0	279.727	2.563	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)F)ccc1F	ZINC000593216700	349229405	/nfs/dbraw/zinc/22/94/05/349229405.db2.gz	BWFRXLPZWFPQOS-QMMMGPOBSA-N	-1	0	292.282	2.807	20	30		CFEDRM
N#CC1(CC(=O)Nc2cccc(Cl)c2[O-])CCOCC1	ZINC000597442356	350098011	/nfs/dbraw/zinc/09/80/11/350098011.db2.gz	WPHHKWJGDVFRDZ-UHFFFAOYSA-N	-1	0	294.738	2.695	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000597997368	350175338	/nfs/dbraw/zinc/17/53/38/350175338.db2.gz	HHPWQOIWINUWLR-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1	ZINC000597994562	350175627	/nfs/dbraw/zinc/17/56/27/350175627.db2.gz	JWPZPTRSEUPGNN-NSHDSACASA-N	-1	0	290.319	2.729	20	30		CFEDRM
C[C@]1(C#N)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000598420936	350266681	/nfs/dbraw/zinc/26/66/81/350266681.db2.gz	WVECBEKKFISNTL-CYBMUJFWSA-N	-1	0	298.264	2.787	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[n-]c1C#N	ZINC000598661408	350305690	/nfs/dbraw/zinc/30/56/90/350305690.db2.gz	IEIHQNFYAONLPB-HAQNSBGRSA-N	-1	0	297.362	2.698	20	30		CFEDRM
C[C@H]1C[C@@H]1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000600672566	350594056	/nfs/dbraw/zinc/59/40/56/350594056.db2.gz	OSMLXXAOVUYTDZ-WDEREUQCSA-N	-1	0	261.369	2.998	20	30		CFEDRM
CC(C)[C@]1(C(=O)[O-])CCN(c2ncc(C#N)cc2Cl)C1	ZINC000600674720	350594589	/nfs/dbraw/zinc/59/45/89/350594589.db2.gz	GTHBNSVODWTACD-AWEZNQCLSA-N	-1	0	293.754	2.544	20	30		CFEDRM
CC(C)[C@@]1(C(=O)[O-])CCN(c2ccc(Cl)c(C#N)n2)C1	ZINC000600675431	350595029	/nfs/dbraw/zinc/59/50/29/350595029.db2.gz	MYIRADPVOWAYCP-CQSZACIVSA-N	-1	0	293.754	2.544	20	30		CFEDRM
CC(C)Cc1cccc([C@H](C)C(=O)N=c2[nH][n-]cc2C#N)c1	ZINC000601640156	350752318	/nfs/dbraw/zinc/75/23/18/350752318.db2.gz	WRKPQVZVQBEIPI-LBPRGKRZSA-N	-1	0	296.374	2.644	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)c(F)c2F)c(=O)c1CCC#N	ZINC000601934016	350807042	/nfs/dbraw/zinc/80/70/42/350807042.db2.gz	IMMJYPYZBMXBCU-MRVPVSSYSA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1[n-]n(-c2ccnc(C(F)(F)F)c2)c(=O)c1CCC#N	ZINC000601943344	350811856	/nfs/dbraw/zinc/81/18/56/350811856.db2.gz	DLTFRYMGVUVCIB-JTQLQIEISA-N	-1	0	296.252	2.743	20	30		CFEDRM
Cc1[n-]n(-c2cc(C(F)(F)F)ccn2)c(=O)c1CCC#N	ZINC000601942587	350811992	/nfs/dbraw/zinc/81/19/92/350811992.db2.gz	LDUGALGTHRJVLH-SNVBAGLBSA-N	-1	0	296.252	2.743	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000602007418	350828807	/nfs/dbraw/zinc/82/88/07/350828807.db2.gz	OJOBXWNKCUVKDA-LPWJVIDDSA-N	-1	0	299.436	2.832	20	30		CFEDRM
Cc1[n-]n(-c2cc(C)cc(C)c2)c(=O)c1CCC#N	ZINC000603923790	351192007	/nfs/dbraw/zinc/19/20/07/351192007.db2.gz	PEUXKBPKNZGVBW-AWEZNQCLSA-N	-1	0	255.321	2.946	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)cc2F)c(=O)c1CCC#N	ZINC000603923687	351192101	/nfs/dbraw/zinc/19/21/01/351192101.db2.gz	LKBLMMODYKKQPT-SNVBAGLBSA-N	-1	0	263.247	2.607	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(CCCC)s1	ZINC000291911511	198103773	/nfs/dbraw/zinc/10/37/73/198103773.db2.gz	SINVKJBVRINGRP-UHFFFAOYSA-N	-1	0	289.426	2.589	20	30		CFEDRM
C=CCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-]	ZINC000154135050	188125648	/nfs/dbraw/zinc/12/56/48/188125648.db2.gz	SSQWRSBKWRCTHW-UHFFFAOYSA-N	-1	0	299.374	2.959	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000620857171	353241822	/nfs/dbraw/zinc/24/18/22/353241822.db2.gz	QKOGRTVQAIIBAH-UHFFFAOYSA-N	-1	0	274.773	2.977	20	30		CFEDRM
C=C(C)CCN=c1nc(Cc2ccc(F)cc2)o[n-]1	ZINC000621324571	353323120	/nfs/dbraw/zinc/32/31/20/353323120.db2.gz	QHBLODODOVJYAB-UHFFFAOYSA-N	-1	0	261.300	2.600	20	30		CFEDRM
CCn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1	ZINC000626302806	354247513	/nfs/dbraw/zinc/24/75/13/354247513.db2.gz	QLQLEDDUAYKEPA-LLVKDONJSA-N	-1	0	294.314	2.843	20	30		CFEDRM
COc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000626356049	354255419	/nfs/dbraw/zinc/25/54/19/354255419.db2.gz	PRVTVEDXGVXXGI-MRVPVSSYSA-N	-1	0	291.332	2.753	20	30		CFEDRM
C=CCn1c(S[C@@H]2CCCC[C@@H]2C)n[nH]c1=O	ZINC000629162728	354762394	/nfs/dbraw/zinc/76/23/94/354762394.db2.gz	ZVAHNPNACVNZLG-VHSXEESVSA-N	-1	0	253.371	2.841	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1	ZINC000630231293	355031019	/nfs/dbraw/zinc/03/10/19/355031019.db2.gz	ZADORPDVILPDOY-AWEZNQCLSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CCN(C(=O)CC(C)(C)C(=O)[O-])c1ccccc1	ZINC000630288500	355038694	/nfs/dbraw/zinc/03/86/94/355038694.db2.gz	MCAVDYORTLUMTI-UHFFFAOYSA-N	-1	0	261.321	2.707	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630181638	355024316	/nfs/dbraw/zinc/02/43/16/355024316.db2.gz	JPJMNJPMTJOXEJ-NWDGAFQWSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)CC1(C(=O)[O-])CCC1	ZINC000630313375	355048861	/nfs/dbraw/zinc/04/88/61/355048861.db2.gz	HMPCRMAIHBAXFV-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2c(s1)CCCC2)C(=O)[O-]	ZINC000630318640	355049518	/nfs/dbraw/zinc/04/95/18/355049518.db2.gz	KUHJGGXOCGIMCB-NSHDSACASA-N	-1	0	293.388	2.776	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc2cc(C)ccc2[nH]1)C(=O)[O-]	ZINC000630317800	355049598	/nfs/dbraw/zinc/04/95/98/355049598.db2.gz	ANDIQQHDRFGCOX-CQSZACIVSA-N	-1	0	286.331	2.626	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1ccc(C)cc1)C(=O)[O-]	ZINC000630318494	355049720	/nfs/dbraw/zinc/04/97/20/355049720.db2.gz	HXISTGOVMSNBBD-HNNXBMFYSA-N	-1	0	289.375	2.853	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000630320117	355049978	/nfs/dbraw/zinc/04/99/78/355049978.db2.gz	PETBNDMLYSGCFS-HIFRSBDPSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(Cl)ccc1C)C(=O)[O-]	ZINC000630320131	355049991	/nfs/dbraw/zinc/04/99/91/355049991.db2.gz	PIHLIVIOSSUJRF-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CO[C@@H]1CCCC[C@@H]1CC)C(=O)[O-]	ZINC000630320723	355050703	/nfs/dbraw/zinc/05/07/03/355050703.db2.gz	AQJOAOLJVOYDFS-MELADBBJSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(CCC)s1)C(=O)[O-]	ZINC000630321343	355050752	/nfs/dbraw/zinc/05/07/52/355050752.db2.gz	HZPNRAAIELUAMM-LLVKDONJSA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000630320738	355050772	/nfs/dbraw/zinc/05/07/72/355050772.db2.gz	AUYVCELNWMHEER-QWHCGFSZSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630320702	355051027	/nfs/dbraw/zinc/05/10/27/355051027.db2.gz	AFHGBBYQFRPLGP-CHWSQXEVSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCC[C@H]1CC)C(=O)[O-]	ZINC000630322740	355051453	/nfs/dbraw/zinc/05/14/53/355051453.db2.gz	VPFHCCRBNPBTEF-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000630325828	355052277	/nfs/dbraw/zinc/05/22/77/355052277.db2.gz	MLANLHRDMPWGPN-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc2cccc(C)c2o1)C(=O)[O-]	ZINC000630324609	355052485	/nfs/dbraw/zinc/05/24/85/355052485.db2.gz	GAORRJHBMJZAEY-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](CC)C(C)C)C(=O)[O-]	ZINC000630327026	355053090	/nfs/dbraw/zinc/05/30/90/355053090.db2.gz	VGECDEYETLZWCG-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1cccc(SC)c1)C(=O)[O-]	ZINC000630543231	355107570	/nfs/dbraw/zinc/10/75/70/355107570.db2.gz	AONZTYHCSMHPGH-LBPRGKRZSA-N	-1	0	294.376	2.949	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(SC)c1)C(=O)[O-]	ZINC000630543230	355107606	/nfs/dbraw/zinc/10/76/06/355107606.db2.gz	AONZTYHCSMHPGH-GFCCVEGCSA-N	-1	0	294.376	2.949	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccsc1C)C(=O)[O-]	ZINC000630551615	355110410	/nfs/dbraw/zinc/11/04/10/355110410.db2.gz	XLFRCIKBQYAKHL-JTQLQIEISA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000232611488	540263823	/nfs/dbraw/zinc/26/38/23/540263823.db2.gz	OASSKZJWTIJFJO-GFCCVEGCSA-N	-1	0	270.373	2.531	20	30		CFEDRM
C=CCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000379939008	540848376	/nfs/dbraw/zinc/84/83/76/540848376.db2.gz	AIKHWQHFARYXMU-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1	ZINC000685020126	540897694	/nfs/dbraw/zinc/89/76/94/540897694.db2.gz	PPDMYOXEBOSYDU-WBMJQRKESA-N	-1	0	275.348	2.705	20	30		CFEDRM
N#CC(=C([O-])c1occ2c1CCC2)c1ccccn1	ZINC000671749618	541073568	/nfs/dbraw/zinc/07/35/68/541073568.db2.gz	WGTUUQMQOFKTKX-LBPRGKRZSA-N	-1	0	252.273	2.653	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)[nH]n2)n1	ZINC000041516009	372845894	/nfs/dbraw/zinc/84/58/94/372845894.db2.gz	PPYRDPQYDKFJMR-VIFPVBQESA-N	-1	0	272.333	2.542	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000046706242	373060963	/nfs/dbraw/zinc/06/09/63/373060963.db2.gz	ZXSPVBZIRXMVCD-SNVBAGLBSA-N	-1	0	265.272	2.954	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CC1	ZINC000048519752	373194369	/nfs/dbraw/zinc/19/43/69/373194369.db2.gz	UHSUSVJDDZTQDJ-UHFFFAOYSA-N	-1	0	279.361	2.621	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)o1	ZINC000049514195	373306246	/nfs/dbraw/zinc/30/62/46/373306246.db2.gz	PWKSJLKOQGUPRR-UHFFFAOYSA-N	-1	0	285.365	2.803	20	30		CFEDRM
N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1ccccn1	ZINC000073971125	374397981	/nfs/dbraw/zinc/39/79/81/374397981.db2.gz	HGPYATABFRHPLQ-CYBMUJFWSA-N	-1	0	288.310	2.962	20	30		CFEDRM
N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1ccccn1	ZINC000073969766	374398232	/nfs/dbraw/zinc/39/82/32/374398232.db2.gz	SOUCDYKNPUMFKC-AWEZNQCLSA-N	-1	0	288.310	2.757	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2CC=CC2)c1	ZINC000077940315	374564111	/nfs/dbraw/zinc/56/41/11/374564111.db2.gz	BNPQKMUGGCDDLM-UHFFFAOYSA-N	-1	0	279.361	2.915	20	30		CFEDRM
Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2C#N)c1	ZINC000091514459	375054227	/nfs/dbraw/zinc/05/42/27/375054227.db2.gz	RCMNRBXCLBROMO-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H]1Cc2c1cccc2Cl	ZINC000529513480	383714859	/nfs/dbraw/zinc/71/48/59/383714859.db2.gz	RWXFMAAYVWINFQ-KWQFWETISA-N	-1	0	251.713	2.602	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1Cc2c1cccc2Cl	ZINC000529513484	383714934	/nfs/dbraw/zinc/71/49/34/383714934.db2.gz	RWXFMAAYVWINFQ-LDYMZIIASA-N	-1	0	251.713	2.602	20	30		CFEDRM
O=C([O-])CCC(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000678976722	542104765	/nfs/dbraw/zinc/10/47/65/542104765.db2.gz	FNLHSXDDGCHMBU-UHFFFAOYSA-N	-1	0	293.322	2.890	20	30		CFEDRM
N#Cc1cc(NCCCCCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000127722344	377299558	/nfs/dbraw/zinc/29/95/58/377299558.db2.gz	NDASUAVMGCQZIV-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
CCCOc1ccc(/C=N/CC(C)(C)C(=O)OC)c(O)c1	ZINC000129357027	377416219	/nfs/dbraw/zinc/41/62/19/377416219.db2.gz	MFGXSLUZRFBPSG-LICLKQGHSA-N	-1	0	293.363	2.799	20	30		CFEDRM
CCC(CC)(CNc1nc(C)ccc1C#N)C(=O)[O-]	ZINC000137656340	378227895	/nfs/dbraw/zinc/22/78/95/378227895.db2.gz	GKSVGPLYOKZVBN-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F	ZINC000152715256	378440521	/nfs/dbraw/zinc/44/05/21/378440521.db2.gz	URAMIVIXGXNDMA-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CCCc1nc(=NC(=O)N[C@@H]2CCCC[C@@H]2C)s[n-]1	ZINC000330495187	378569438	/nfs/dbraw/zinc/56/94/38/378569438.db2.gz	WAJDHADAVCCVLR-VHSXEESVSA-N	-1	0	282.413	2.817	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000162530236	378915383	/nfs/dbraw/zinc/91/53/83/378915383.db2.gz	IBOFHKVXHXDBNP-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1ccccn1	ZINC000165463499	379040181	/nfs/dbraw/zinc/04/01/81/379040181.db2.gz	YXTMCGWDOUXLBY-GWCFXTLKSA-N	-1	0	299.355	2.880	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3cc(F)ccc32)cc1[O-]	ZINC000334385676	379204983	/nfs/dbraw/zinc/20/49/83/379204983.db2.gz	NKKHZEVYFRUJPI-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
N#CCc1ccccc1[N-]S(=O)(=O)c1ccsc1	ZINC000334443905	379311548	/nfs/dbraw/zinc/31/15/48/379311548.db2.gz	MSESMXAAPHNUHL-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
CC(=O)c1ccc(C(=O)Nc2ccc(F)cc2C#N)o1	ZINC000335908290	380088271	/nfs/dbraw/zinc/08/82/71/380088271.db2.gz	STPIWSOYEKOFBV-UHFFFAOYSA-N	-1	0	272.235	2.745	20	30		CFEDRM
CCCCC[C@H](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175293079	380038437	/nfs/dbraw/zinc/03/84/37/380038437.db2.gz	XDGVSRVCOOKZFM-JTQLQIEISA-N	-1	0	273.340	2.698	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(C)o1	ZINC000336023004	380253136	/nfs/dbraw/zinc/25/31/36/380253136.db2.gz	XNEBRUUKUZZZHV-UHFFFAOYSA-N	-1	0	294.307	2.708	20	30		CFEDRM
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000179025567	380501736	/nfs/dbraw/zinc/50/17/36/380501736.db2.gz	HZLJRDIFOKCXJP-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(C(F)F)s2)c(F)c1	ZINC000336811593	380672162	/nfs/dbraw/zinc/67/21/62/380672162.db2.gz	NRGAQHVBHFIVTA-UHFFFAOYSA-N	-1	0	284.266	2.520	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529699261	383749020	/nfs/dbraw/zinc/74/90/20/383749020.db2.gz	SEVONGITZBEQGC-GFCCVEGCSA-N	-1	0	265.382	2.552	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2cccs2)c1C#N	ZINC000181147609	380747598	/nfs/dbraw/zinc/74/75/98/380747598.db2.gz	OBIJJEVXDACLKX-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCCOCC2)c1[O-]	ZINC000182699312	381141465	/nfs/dbraw/zinc/14/14/65/381141465.db2.gz	VSGZLMDXWWTDQE-OXFWXOROSA-N	-1	0	298.726	2.942	20	30		CFEDRM
C#CCO[N-]C(=O)CSc1ccc(C(C)(C)C)cc1	ZINC000291167973	381693300	/nfs/dbraw/zinc/69/33/00/381693300.db2.gz	DGOLDCMSWMXDHZ-UHFFFAOYSA-N	-1	0	277.389	2.757	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000355633997	381789448	/nfs/dbraw/zinc/78/94/48/381789448.db2.gz	AEHDTSDPAZGBMG-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(O)c1	ZINC000356226334	381833019	/nfs/dbraw/zinc/83/30/19/381833019.db2.gz	RPZCPMCGTOEQSD-XQRVVYSFSA-N	-1	0	266.256	2.527	20	30		CFEDRM
Cc1cccnc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361524740	381840579	/nfs/dbraw/zinc/84/05/79/381840579.db2.gz	LUSURCUMSVPUJT-GFCCVEGCSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1cc(=NC(=O)C[C@H](CC#N)c2ccccc2)[n-]nc1C	ZINC000361703432	381857392	/nfs/dbraw/zinc/85/73/92/381857392.db2.gz	SHWDDDTWMRIJGZ-HNNXBMFYSA-N	-1	0	294.358	2.541	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1nc2c(cc1C#N)CCCC2(C)C	ZINC000416425051	381891353	/nfs/dbraw/zinc/89/13/53/381891353.db2.gz	GXNPMMNSKZJSJT-JTQLQIEISA-N	-1	0	287.363	2.842	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1	ZINC000357549801	382220940	/nfs/dbraw/zinc/22/09/40/382220940.db2.gz	PEGAUICBQFVAGG-UHFFFAOYSA-N	-1	0	299.355	2.631	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1[O-]	ZINC000188282008	382382334	/nfs/dbraw/zinc/38/23/34/382382334.db2.gz	LAWLFFHURMAXJU-UHFFFAOYSA-N	-1	0	285.328	2.850	20	30		CFEDRM
COc1ccc(F)c(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188642393	382447715	/nfs/dbraw/zinc/44/77/15/382447715.db2.gz	VVZKSQLCXGRJGI-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
CC(C)(C)c1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000188373295	382400669	/nfs/dbraw/zinc/40/06/69/382400669.db2.gz	ZOXARTIZTWGOCR-UHFFFAOYSA-N	-1	0	296.330	2.604	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc3c(c2)COC3)cc1[O-]	ZINC000188751439	382470262	/nfs/dbraw/zinc/47/02/62/382470262.db2.gz	RWDBZWWBWWHSPY-UHFFFAOYSA-N	-1	0	280.283	2.546	20	30		CFEDRM
CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000346689855	382474343	/nfs/dbraw/zinc/47/43/43/382474343.db2.gz	RWLGFDTTXJAKRY-POHAHGRESA-N	-1	0	297.362	2.596	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(C)c1O	ZINC000188787917	382477199	/nfs/dbraw/zinc/47/71/99/382477199.db2.gz	ZPIYKOIXBPXUMK-UHFFFAOYSA-N	-1	0	282.299	2.839	20	30		CFEDRM
COc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1F	ZINC000188839805	382488481	/nfs/dbraw/zinc/48/84/81/382488481.db2.gz	JQYZJHXMPDEGAG-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1cccc(OCC)c1)C(=O)[O-]	ZINC000316152344	382528415	/nfs/dbraw/zinc/52/84/15/382528415.db2.gz	UNMPDGWBXYRAHT-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C/c1ccccc1C)C(=O)[O-]	ZINC000316729876	382530473	/nfs/dbraw/zinc/53/04/73/382530473.db2.gz	YVXZMQQGDVPBHS-PLSXKVAHSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)c1ccccc1	ZINC000190819088	382681304	/nfs/dbraw/zinc/68/13/04/382681304.db2.gz	ZZMHDLJQRLDHCM-WOSRLPQWSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000398223845	382635333	/nfs/dbraw/zinc/63/53/33/382635333.db2.gz	OZCUVJVVNIPHOM-LBPRGKRZSA-N	-1	0	284.400	2.921	20	30		CFEDRM
CC(C)C[C@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000336854982	382735485	/nfs/dbraw/zinc/73/54/85/382735485.db2.gz	SVCHNNZNDUDCPX-GFCCVEGCSA-N	-1	0	297.358	2.687	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000192881403	382713220	/nfs/dbraw/zinc/71/32/20/382713220.db2.gz	IKOKTKDYPWLDRX-DZGCQCFKSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1	ZINC000192893648	382713365	/nfs/dbraw/zinc/71/33/65/382713365.db2.gz	AZKMLAPFEWAYBX-NSHDSACASA-N	-1	0	291.347	2.612	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000193088504	382715419	/nfs/dbraw/zinc/71/54/19/382715419.db2.gz	MZJNXAINQVGGIF-GUYCJALGSA-N	-1	0	289.375	2.747	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c2n[nH]cc21	ZINC000442618526	382939233	/nfs/dbraw/zinc/93/92/33/382939233.db2.gz	GBTZDZOZVOTILQ-UHFFFAOYSA-N	-1	0	292.298	2.701	20	30		CFEDRM
Cc1nc(C)c(NC(=O)c2ccc(C#N)c([O-])c2)s1	ZINC000442650991	382941176	/nfs/dbraw/zinc/94/11/76/382941176.db2.gz	PVYGJWPQMNGYTL-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
C=CCCCN(C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000237043141	382947249	/nfs/dbraw/zinc/94/72/49/382947249.db2.gz	XOUWTGMUWLLZBW-DHZHZOJOSA-N	-1	0	273.332	2.823	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1cccc(Br)c1[O-]	ZINC000538741399	382960348	/nfs/dbraw/zinc/96/03/48/382960348.db2.gz	XIMURWBMKZOJBM-QMMMGPOBSA-N	-1	0	297.152	2.577	20	30		CFEDRM
Cc1ccc(-c2cc(=NC(=O)c3cccc(C#N)c3)[nH][n-]2)o1	ZINC000447801396	383008693	/nfs/dbraw/zinc/00/86/93/383008693.db2.gz	BYASALLYTHDWQJ-UHFFFAOYSA-N	-1	0	292.298	2.524	20	30		CFEDRM
CCSc1n[n-]c(=NCc2cc(C#N)cs2)s1	ZINC000447947302	383033387	/nfs/dbraw/zinc/03/33/87/383033387.db2.gz	COHCZXIRKWPKLQ-UHFFFAOYSA-N	-1	0	282.419	2.617	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(c2ccccc2C)CC1)C(=O)[O-]	ZINC000448989691	383125070	/nfs/dbraw/zinc/12/50/70/383125070.db2.gz	FLLXVDRDXUOVHH-AWEZNQCLSA-N	-1	0	287.359	2.562	20	30		CFEDRM
C=CCC1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCC1	ZINC000449244111	383185901	/nfs/dbraw/zinc/18/59/01/383185901.db2.gz	PVVULIXNXLANSQ-UHFFFAOYSA-N	-1	0	297.362	2.942	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(C2CC2)c1)C(=O)[O-]	ZINC000566415034	383186318	/nfs/dbraw/zinc/18/63/18/383186318.db2.gz	VWWQKOBHVJUJLL-AWEZNQCLSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1	ZINC000556708147	383152322	/nfs/dbraw/zinc/15/23/22/383152322.db2.gz	HAQBMPPWUKFTHF-UONOGXRCSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000424821841	383270584	/nfs/dbraw/zinc/27/05/84/383270584.db2.gz	NNTHDAHYXGRRIK-UHFFFAOYSA-N	-1	0	286.335	2.718	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)o1	ZINC000566930470	383226709	/nfs/dbraw/zinc/22/67/09/383226709.db2.gz	IHTRZTFLVZVSKY-JTQLQIEISA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)C(=O)[O-]	ZINC000567504573	383282684	/nfs/dbraw/zinc/28/26/84/383282684.db2.gz	UMATWKCRWUGNMW-MCIONIFRSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634886225	383391215	/nfs/dbraw/zinc/39/12/15/383391215.db2.gz	CZAITJGTZJHPJR-HNNXBMFYSA-N	-1	0	295.404	2.905	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634927566	383407419	/nfs/dbraw/zinc/40/74/19/383407419.db2.gz	SQSGOXIZDQTOIT-LJISPDSOSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000634927830	383407883	/nfs/dbraw/zinc/40/78/83/383407883.db2.gz	YTFVTYZDZIVFLJ-RQJABVFESA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)[C@@H](C)COC	ZINC000634929337	383408183	/nfs/dbraw/zinc/40/81/83/383408183.db2.gz	JEDKIIJZZNKRSZ-BBRMVZONSA-N	-1	0	299.411	2.563	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000634933287	383410610	/nfs/dbraw/zinc/41/06/10/383410610.db2.gz	VGNASPFEFWESMC-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1	ZINC000634939541	383412968	/nfs/dbraw/zinc/41/29/68/383412968.db2.gz	KJBCARHENPVZAH-KGLIPLIRSA-N	-1	0	273.332	2.707	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1	ZINC000634938886	383412985	/nfs/dbraw/zinc/41/29/85/383412985.db2.gz	VJLOAPPUGQIIEY-CJNGLKHVSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634832565	383372903	/nfs/dbraw/zinc/37/29/03/383372903.db2.gz	HRBSMJMGRJBJGU-MRXNPFEDSA-N	-1	0	293.338	2.641	20	30		CFEDRM
C=CCCNC(=O)[C@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634845278	383378351	/nfs/dbraw/zinc/37/83/51/383378351.db2.gz	FEGXMUUSRUFQGK-QGZVFWFLSA-N	-1	0	289.375	2.810	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634864780	383385967	/nfs/dbraw/zinc/38/59/67/383385967.db2.gz	VTVAUEOIMPMPLG-CVEARBPZSA-N	-1	0	299.370	2.868	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634864498	383386295	/nfs/dbraw/zinc/38/62/95/383386295.db2.gz	MXZICNKOJDTDMF-CABCVRRESA-N	-1	0	287.359	2.702	20	30		CFEDRM
CSc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000526943032	383439757	/nfs/dbraw/zinc/43/97/57/383439757.db2.gz	ZGZXRUULFCIWAZ-UHFFFAOYSA-N	-1	0	285.328	2.633	20	30		CFEDRM
C[C@H](C1CC1)n1cc([N-]c2ncc(C#N)cc2[N+](=O)[O-])cn1	ZINC000450455414	383417270	/nfs/dbraw/zinc/41/72/70/383417270.db2.gz	UXHRZYXEWUYZOQ-SECBINFHSA-N	-1	0	298.306	2.773	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634947102	383417631	/nfs/dbraw/zinc/41/76/31/383417631.db2.gz	HTWYVYYWXFEXMR-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
CC(C)(C)N=c1[n-]nc(-c2ccc(C#N)cc2)n1C1CC1	ZINC000569372886	383494426	/nfs/dbraw/zinc/49/44/26/383494426.db2.gz	MPSURBOUJPFKND-UHFFFAOYSA-N	-1	0	281.363	2.784	20	30		CFEDRM
COc1cc(C)cnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000488156206	383501135	/nfs/dbraw/zinc/50/11/35/383501135.db2.gz	LOSSUSVFDBCQRD-SNVBAGLBSA-N	-1	0	287.344	2.654	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000635530524	383578654	/nfs/dbraw/zinc/57/86/54/383578654.db2.gz	WZISENISZYQOFF-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1ccccc1)C(=O)[O-]	ZINC000262994098	383648062	/nfs/dbraw/zinc/64/80/62/383648062.db2.gz	VOOGKKPVXZTAJB-CQSZACIVSA-N	-1	0	275.348	2.545	20	30		CFEDRM
C=CCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435431413	383774353	/nfs/dbraw/zinc/77/43/53/383774353.db2.gz	IKHKPLZWWKEJBZ-UHFFFAOYSA-N	-1	0	284.139	2.597	20	30		CFEDRM
C[C@@H](C#N)CN(C(=O)c1ccc([O-])c(Cl)c1)C1CC1	ZINC000436739549	383887157	/nfs/dbraw/zinc/88/71/57/383887157.db2.gz	OESNNCLHMHLWAG-VIFPVBQESA-N	-1	0	278.739	2.810	20	30		CFEDRM
C=CCN(CCc1ccco1)C(=O)c1c([O-])cccc1F	ZINC000436989822	383899471	/nfs/dbraw/zinc/89/94/71/383899471.db2.gz	PNFMGPJRJJFMON-UHFFFAOYSA-N	-1	0	289.306	2.995	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc([O-])c(Cl)c1	ZINC000437520478	383905677	/nfs/dbraw/zinc/90/56/77/383905677.db2.gz	YKYBSWVIQPIOKO-FZMZJTMJSA-N	-1	0	295.766	2.757	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1nn(-c2ccccc2CC)cc1[O-]	ZINC000438892432	384028263	/nfs/dbraw/zinc/02/82/63/384028263.db2.gz	FRCYUIHGYMRKDV-GFCCVEGCSA-N	-1	0	299.374	2.835	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1	ZINC000267235953	384332557	/nfs/dbraw/zinc/33/25/57/384332557.db2.gz	HQVURYYZMZDLFR-MRVPVSSYSA-N	-1	0	294.635	2.921	20	30		CFEDRM
CSc1ccsc1C([O-])=C(C#N)c1ccncn1	ZINC000354462027	533062099	/nfs/dbraw/zinc/06/20/99/533062099.db2.gz	GZHPRSTXYGFGCJ-MRVPVSSYSA-N	-1	0	275.358	2.750	20	30		CFEDRM
Cc1oc(C#N)cc1C(=O)Nc1nc(C(C)(C)C)ns1	ZINC000280642459	385097110	/nfs/dbraw/zinc/09/71/10/385097110.db2.gz	NGOURMZQXVYIIQ-UHFFFAOYSA-N	-1	0	290.348	2.861	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)NCCCCCCCC(=O)[O-]	ZINC000271935201	385406050	/nfs/dbraw/zinc/40/60/50/385406050.db2.gz	BWCWYKACGMIPNN-ZDUSSCGKSA-N	-1	0	285.384	2.509	20	30		CFEDRM
CCC#C[C@@H](C)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000681041948	542403178	/nfs/dbraw/zinc/40/31/78/542403178.db2.gz	FYGYYGTUYWCXBI-SNVBAGLBSA-N	-1	0	275.377	2.631	20	30		CFEDRM
C#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(C)(C)C	ZINC000288273224	197040868	/nfs/dbraw/zinc/04/08/68/197040868.db2.gz	PZDDFGHGRJKPFB-LBPRGKRZSA-N	-1	0	265.740	2.823	20	30		CFEDRM
N#CC(=C([O-])c1cc2cccc(F)c2o1)c1ccncn1	ZINC000682129492	542523926	/nfs/dbraw/zinc/52/39/26/542523926.db2.gz	VOBLISHWWADBLZ-SNVBAGLBSA-N	-1	0	281.246	2.852	20	30		CFEDRM
CCC(CC)[C@@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000341810443	130071785	/nfs/dbraw/zinc/07/17/85/130071785.db2.gz	OEUKAVSBNUOXMO-LLVKDONJSA-N	-1	0	276.384	2.768	20	30		CFEDRM
C=CCCC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1	ZINC000191547267	130252847	/nfs/dbraw/zinc/25/28/47/130252847.db2.gz	LGMQZLCMCCYBTC-CQSZACIVSA-N	-1	0	275.348	2.545	20	30		CFEDRM
N#Cc1csc(CN=c2[n-]nc(Cc3ccccc3)o2)c1	ZINC000359271150	130504868	/nfs/dbraw/zinc/50/48/68/130504868.db2.gz	FXXCNYWBBQPKSX-UHFFFAOYSA-N	-1	0	296.355	2.628	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262195557	131199942	/nfs/dbraw/zinc/19/99/42/131199942.db2.gz	ZIERCTWLSRTSPO-MCIONIFRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCC1	ZINC000263515724	131295420	/nfs/dbraw/zinc/29/54/20/131295420.db2.gz	DPLMSBOYWQYDMB-UHFFFAOYSA-N	-1	0	273.332	2.999	20	30		CFEDRM
N#CC(=C([O-])c1nccs1)c1cnc2ccccc2n1	ZINC000683691386	542711237	/nfs/dbraw/zinc/71/12/37/542711237.db2.gz	FGWGKYGCUHFVLP-SECBINFHSA-N	-1	0	280.312	2.576	20	30		CFEDRM
C[C@H](NC(=O)c1cccn2c([O-])nnc12)C1CCCCC1	ZINC000329531701	393542032	/nfs/dbraw/zinc/54/20/32/393542032.db2.gz	WRPCDYIDNOOQAQ-JTQLQIEISA-N	-1	0	288.351	2.708	20	30		CFEDRM
C[C@@H](NC(=O)c1cccn2c([O-])nnc12)C1CCCCC1	ZINC000329531702	393542071	/nfs/dbraw/zinc/54/20/71/393542071.db2.gz	WRPCDYIDNOOQAQ-SNVBAGLBSA-N	-1	0	288.351	2.708	20	30		CFEDRM
N#CCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1	ZINC000334202505	393579635	/nfs/dbraw/zinc/57/96/35/393579635.db2.gz	PBKKKKHYJMLHGL-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
C=CCN=c1[n-]nc(S[C@@H](C)C(=O)c2ccco2)s1	ZINC000412981482	393777398	/nfs/dbraw/zinc/77/73/98/393777398.db2.gz	VPBJZUYJHSMANA-QMMMGPOBSA-N	-1	0	295.389	2.514	20	30		CFEDRM
C=CC[C@@H](Cc1ccccc1)N=c1nc(C)[n-]s1	ZINC000413587947	393786022	/nfs/dbraw/zinc/78/60/22/393786022.db2.gz	XNPRUQOXIVEDNV-ZDUSSCGKSA-N	-1	0	259.378	2.868	20	30		CFEDRM
CCCCOc1ccccc1[N-]S(=O)(=O)[C@@H](C#N)CC	ZINC000416933719	393945968	/nfs/dbraw/zinc/94/59/68/393945968.db2.gz	BSOWZSYUMCEROU-GFCCVEGCSA-N	-1	0	296.392	2.909	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1ccc(O)c(C(=O)[O-])c1	ZINC000436831968	394026091	/nfs/dbraw/zinc/02/60/91/394026091.db2.gz	UUZVRSKTBQTUTB-HNQUOIGGSA-N	-1	0	266.256	2.527	20	30		CFEDRM
C#C[C@@H](C)N(C)C(=O)c1ccc2ccccc2c1O	ZINC000491698697	394056823	/nfs/dbraw/zinc/05/68/23/394056823.db2.gz	MCRMBZHMJZJARZ-LLVKDONJSA-N	-1	0	253.301	2.639	20	30		CFEDRM
CCSc1cccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1	ZINC000135560378	394221769	/nfs/dbraw/zinc/22/17/69/394221769.db2.gz	VXUSWOGRCGZEGU-UHFFFAOYSA-N	-1	0	297.343	2.517	20	30		CFEDRM
N#CC1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCCC1	ZINC000174637110	394379200	/nfs/dbraw/zinc/37/92/00/394379200.db2.gz	BQZOSSALLUHKOG-UHFFFAOYSA-N	-1	0	287.344	2.683	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)c1c([O-])cc(F)cc1F	ZINC000684988143	542884676	/nfs/dbraw/zinc/88/46/76/542884676.db2.gz	QXHRMJGNGVTHET-VIFPVBQESA-N	-1	0	255.264	2.755	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nccc2ccccc21	ZINC000685797171	542945483	/nfs/dbraw/zinc/94/54/83/542945483.db2.gz	MTLXNPOKDONVTJ-OAHLLOKOSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000649259308	395463078	/nfs/dbraw/zinc/46/30/78/395463078.db2.gz	ZLNJGTMOSYSVBU-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
CC(C)n1c(SCc2ccc(C#N)c(F)c2)n[n-]c1=N	ZINC000358540726	155794049	/nfs/dbraw/zinc/79/40/49/155794049.db2.gz	MFOUBTBLTRPVLR-UHFFFAOYSA-N	-1	0	291.355	2.575	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)NC[C@@H](C)C(=O)[O-]	ZINC000653545119	413357583	/nfs/dbraw/zinc/35/75/83/413357583.db2.gz	TUUAOTKFHCEOGV-LLVKDONJSA-N	-1	0	276.336	2.647	20	30		CFEDRM
N#Cc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1	ZINC000346109057	162321452	/nfs/dbraw/zinc/32/14/52/162321452.db2.gz	UPBKEGWVUSANNW-UHFFFAOYSA-N	-1	0	296.355	2.628	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C/c2ccc(C#N)cn2)cc1)C(=O)[O-]	ZINC000349104544	162943773	/nfs/dbraw/zinc/94/37/73/162943773.db2.gz	FLTIIWXENBGXIK-QSLRECBCSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1ccc(CC#N)cc1)C(=O)[O-]	ZINC000010820308	170412363	/nfs/dbraw/zinc/41/23/63/170412363.db2.gz	OOEIBLASCGHLJN-UHFFFAOYSA-N	-1	0	288.347	2.972	20	30		CFEDRM
C=C(C)CN(C)Cc1nc2cc(C(=O)[O-])ccc2n1CC	ZINC000652430547	413943308	/nfs/dbraw/zinc/94/33/08/413943308.db2.gz	LOGAIMUFJWRPRM-UHFFFAOYSA-N	-1	0	287.363	2.762	20	30		CFEDRM
C=C(C)CS(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F	ZINC000655660413	414349082	/nfs/dbraw/zinc/34/90/82/414349082.db2.gz	XXCZFRDCRUYTTM-JTQLQIEISA-N	-1	0	297.298	2.687	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000655555827	414324673	/nfs/dbraw/zinc/32/46/73/414324673.db2.gz	AFJRYVQCWQZILL-CHWSQXEVSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)C(=O)[O-]	ZINC000659153746	414457007	/nfs/dbraw/zinc/45/70/07/414457007.db2.gz	LRMYVSFKHVWSQC-UPJWGTAASA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)C(=O)[O-]	ZINC000659153745	414457227	/nfs/dbraw/zinc/45/72/27/414457227.db2.gz	LRMYVSFKHVWSQC-RQJABVFESA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccc(C(C)C)c1)C(=O)[O-]	ZINC000659154594	414457295	/nfs/dbraw/zinc/45/72/95/414457295.db2.gz	RVJFHISUVFGTTR-CQSZACIVSA-N	-1	0	275.348	2.959	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])oc1C	ZINC000659154690	414457454	/nfs/dbraw/zinc/45/74/54/414457454.db2.gz	SZLLBKBWDBIAPS-SECBINFHSA-N	-1	0	265.309	2.761	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)CC(=O)[O-]	ZINC000659168217	414459856	/nfs/dbraw/zinc/45/98/56/414459856.db2.gz	TZYQBHNWOOOPHY-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)C1	ZINC000659170335	414461288	/nfs/dbraw/zinc/46/12/88/414461288.db2.gz	SWYHVNPVPQIJAI-CYBMUJFWSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1	ZINC000659169939	414461596	/nfs/dbraw/zinc/46/15/96/414461596.db2.gz	MJDWUZUDYDPRFB-MGPQQGTHSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000659174526	414462032	/nfs/dbraw/zinc/46/20/32/414462032.db2.gz	HJVDBYKCLXFVHW-FZMZJTMJSA-N	-1	0	291.347	2.539	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)c1cccc(C(=O)[O-])c1	ZINC000659244143	414477584	/nfs/dbraw/zinc/47/75/84/414477584.db2.gz	KVPOMHAOTARBIH-UHFFFAOYSA-N	-1	0	261.321	2.859	20	30		CFEDRM
C=CCCCCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876418	414486851	/nfs/dbraw/zinc/48/68/51/414486851.db2.gz	MANSFGGQTLFINP-RWMBFGLXSA-N	-1	0	296.411	2.777	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccccc1	ZINC000655872940	414487253	/nfs/dbraw/zinc/48/72/53/414487253.db2.gz	SZSAYCUDDNSSEK-JSGCOSHPSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=CCN(CC=C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655908655	414491427	/nfs/dbraw/zinc/49/14/27/414491427.db2.gz	RLIQAONDVBKNPK-FRRDWIJNSA-N	-1	0	294.395	2.505	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000659409804	414518385	/nfs/dbraw/zinc/51/83/85/414518385.db2.gz	UETFURRSVMMSGJ-GFCCVEGCSA-N	-1	0	284.400	2.777	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@H](C)O[C@H](C)C(=O)[O-])CCCC1	ZINC000656487411	414590323	/nfs/dbraw/zinc/59/03/23/414590323.db2.gz	UCEVAANRIDPBQZ-QWHCGFSZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC1(CNC(=O)N2CCC[C@@H]2C(=O)[O-])CCCC1	ZINC000656588748	414611132	/nfs/dbraw/zinc/61/11/32/414611132.db2.gz	SOLITDUCAGSATK-CYBMUJFWSA-N	-1	0	294.395	2.772	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1	ZINC000663032070	414646464	/nfs/dbraw/zinc/64/64/64/414646464.db2.gz	GUZDDSKYZUPPOM-CYBMUJFWSA-N	-1	0	291.347	2.937	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)o1	ZINC000344950587	225213141	/nfs/dbraw/zinc/21/31/41/225213141.db2.gz	NMZOPKWOMQJRBB-JTQLQIEISA-N	-1	0	281.271	2.923	20	30		CFEDRM
Cc1ccc(C(=O)C(=O)Nc2nnc3ccccn32)cc1	ZINC000033175312	225359919	/nfs/dbraw/zinc/35/99/19/225359919.db2.gz	KAVLZGSPCYMXIQ-UHFFFAOYSA-N	-1	0	280.287	2.509	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC000347135293	226040179	/nfs/dbraw/zinc/04/01/79/226040179.db2.gz	NEBIFDCLMFYHOZ-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
COCCOCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000067943239	260254210	/nfs/dbraw/zinc/25/42/10/260254210.db2.gz	RCVAXROLLRXXJN-OVCLIPMQSA-N	-1	0	292.162	2.781	20	30		CFEDRM
C=C(CC)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000313488122	260298411	/nfs/dbraw/zinc/29/84/11/260298411.db2.gz	PPQFVQYAZLPOKB-MRXNPFEDSA-N	-1	0	275.348	2.501	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)n(C2CC2)c1C)C(=O)[O-]	ZINC000448999750	261057254	/nfs/dbraw/zinc/05/72/54/261057254.db2.gz	YZUOGQZDODWBMC-CQSZACIVSA-N	-1	0	290.363	2.589	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1cncc(Cl)n1	ZINC000194810316	262242997	/nfs/dbraw/zinc/24/29/97/262242997.db2.gz	KOYRBSQSKFRFKV-UHFFFAOYSA-N	-1	0	291.804	2.842	20	30		CFEDRM
CCN(C[C@H](C)C#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184276656	262276021	/nfs/dbraw/zinc/27/60/21/262276021.db2.gz	GACYBXYEKRHAGW-MRVPVSSYSA-N	-1	0	284.718	2.806	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)C(C)(C)C)C(=O)[O-]	ZINC000316048538	262381010	/nfs/dbraw/zinc/38/10/10/262381010.db2.gz	LLEDDSSGDZEZMM-QWRGUYRKSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C[C@@H]1C[C@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000273317533	263015393	/nfs/dbraw/zinc/01/53/93/263015393.db2.gz	FATZZXSRCGZLDS-DYBVGFEPSA-N	-1	0	292.335	2.925	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)c2ncccc2[O-])c1	ZINC000340296327	263106254	/nfs/dbraw/zinc/10/62/54/263106254.db2.gz	SVEVFBUGISDCCD-UHFFFAOYSA-N	-1	0	284.315	2.994	20	30		CFEDRM
CCOCC(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000289874552	263112502	/nfs/dbraw/zinc/11/25/02/263112502.db2.gz	HWNHHJIZVSRCCD-OVCLIPMQSA-N	-1	0	280.324	2.782	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1ccc([O-])c(Cl)c1	ZINC000292135726	263128934	/nfs/dbraw/zinc/12/89/34/263128934.db2.gz	SYGADFSMDFSWPV-NSHDSACASA-N	-1	0	266.728	2.714	20	30		CFEDRM
CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@H](C)CC2)s1	ZINC000330708633	264020588	/nfs/dbraw/zinc/02/05/88/264020588.db2.gz	RABZGBWJGSAADA-MGCOHNPYSA-N	-1	0	282.413	2.817	20	30		CFEDRM
O=C(N[C@@H]1C=CCCC1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000330776005	264035097	/nfs/dbraw/zinc/03/50/97/264035097.db2.gz	ZINZEJDPODSKFT-SECBINFHSA-N	-1	0	262.265	2.714	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)c(C)nc2C)n1	ZINC000331200380	264160295	/nfs/dbraw/zinc/16/02/95/264160295.db2.gz	WLAMCUWOYPRYNE-LLVKDONJSA-N	-1	0	286.360	2.657	20	30		CFEDRM
COc1cc(C#N)nc(-c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001243176899	782037789	/nfs/dbraw/zinc/03/77/89/782037789.db2.gz	FCCUEHMPLODVOE-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C[C@@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094062289	265213402	/nfs/dbraw/zinc/21/34/02/265213402.db2.gz	TVXAAMJMIKDYFI-QMMMGPOBSA-N	-1	0	274.707	2.841	20	30		CFEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000361122345	266788610	/nfs/dbraw/zinc/78/86/10/266788610.db2.gz	YFXDACTYILXORD-SNVBAGLBSA-N	-1	0	280.287	2.658	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362193160	266944180	/nfs/dbraw/zinc/94/41/80/266944180.db2.gz	UVMNJODKYXCDHY-SECBINFHSA-N	-1	0	295.220	2.887	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc(CCCC)s1	ZINC000362938151	267064307	/nfs/dbraw/zinc/06/43/07/267064307.db2.gz	JCPNAPBBQABXQM-LLVKDONJSA-N	-1	0	294.424	2.875	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1[O-]	ZINC000188701998	268046681	/nfs/dbraw/zinc/04/66/81/268046681.db2.gz	QINAGEUADWRKBJ-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C#N)cc(C)n2)c1	ZINC001243180037	782040925	/nfs/dbraw/zinc/04/09/25/782040925.db2.gz	VDRHEGWWQRPURA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1ccc(-c2cc(C)cc(C(=O)[O-])c2)nc1CC#N	ZINC001243179984	782040938	/nfs/dbraw/zinc/04/09/38/782040938.db2.gz	RNSOCWFZPAAFTO-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000263027208	277822870	/nfs/dbraw/zinc/82/28/70/277822870.db2.gz	QQABLAJALQMYJI-OAHLLOKOSA-N	-1	0	267.369	2.760	20	30		CFEDRM
CC(C)Oc1ccc(=NC(=O)N[C@H]2CCC[C@@H](C)C2)[n-]n1	ZINC000330007440	279719862	/nfs/dbraw/zinc/71/98/62/279719862.db2.gz	FVWVCCLCKYDWGF-NEPJUHHUSA-N	-1	0	292.383	2.590	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1	ZINC000074842571	280506832	/nfs/dbraw/zinc/50/68/32/280506832.db2.gz	HALZVBDIIJYPNO-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
CC(C)[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[n-]2)CC1	ZINC000245563617	280954956	/nfs/dbraw/zinc/95/49/56/280954956.db2.gz	VZAPDLVMOFYQDG-XYPYZODXSA-N	-1	0	285.351	2.554	20	30		CFEDRM
COc1cc(-c2ccccc2C(=O)[O-])ccc1C#N	ZINC000563206908	290117745	/nfs/dbraw/zinc/11/77/45/290117745.db2.gz	KFQRHRNOXIPCIW-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
Cc1ccc(-c2cc(F)cnc2C#N)cc1C(=O)[O-]	ZINC001243195542	782057058	/nfs/dbraw/zinc/05/70/58/782057058.db2.gz	QQXDUDGHKQJXST-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2c(C#N)cnc3ccccc32)C1	ZINC000263166966	300474062	/nfs/dbraw/zinc/47/40/62/300474062.db2.gz	IZKRJHMZYWUFBF-RYUDHWBXSA-N	-1	0	295.342	2.653	20	30		CFEDRM
Cc1cc(C)c2ncc(C#N)c(N(C)C[C@H](C)C(=O)[O-])c2c1	ZINC000263550514	301214013	/nfs/dbraw/zinc/21/40/13/301214013.db2.gz	KLRBITXQBJQLDV-LBPRGKRZSA-N	-1	0	297.358	2.880	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1CCC[C@H](C(=O)[O-])C1	ZINC000049933881	303174486	/nfs/dbraw/zinc/17/44/86/303174486.db2.gz	MWTVSFWBWXJPBP-VIFPVBQESA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H]2C(=O)[O-])cc1C(F)(F)F	ZINC000057364567	303193849	/nfs/dbraw/zinc/19/38/49/303193849.db2.gz	OZRGHLBRQPBBRO-NSHDSACASA-N	-1	0	284.237	2.630	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[n-]c1C#N	ZINC000130019631	303215805	/nfs/dbraw/zinc/21/58/05/303215805.db2.gz	UZQIJEHHKJTNRO-SDDRHHMPSA-N	-1	0	297.362	2.698	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cncc(CC#N)c1	ZINC001243204354	782064765	/nfs/dbraw/zinc/06/47/65/782064765.db2.gz	OVLIIRXRNUNXLT-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
COc1cnc(-c2ccc(C(=O)[O-])c(C)c2)c(C#N)c1	ZINC001243210425	782070573	/nfs/dbraw/zinc/07/05/73/782070573.db2.gz	HUHIBDCKKIMSMV-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(-c2ccc(OCC#N)cn2)ccc1C(=O)[O-]	ZINC001243214610	782075129	/nfs/dbraw/zinc/07/51/29/782075129.db2.gz	UUSYVJLLBVTLFW-UHFFFAOYSA-N	-1	0	268.272	2.658	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000152146853	328074168	/nfs/dbraw/zinc/07/41/68/328074168.db2.gz	DOJHBEJPBHMJMS-SSDOTTSWSA-N	-1	0	257.692	2.879	20	30		CFEDRM
CC(=Cc1ccc(F)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193608140	324074060	/nfs/dbraw/zinc/07/40/60/324074060.db2.gz	UKDAJKWAMZPPPD-YFHOEESVSA-N	-1	0	283.306	2.958	20	30		CFEDRM
CC(=Cc1cccc(F)c1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193611592	324074180	/nfs/dbraw/zinc/07/41/80/324074180.db2.gz	YAYARDGCMVJCPL-TWGQIWQCSA-N	-1	0	269.279	2.650	20	30		CFEDRM
CCc1ccc(C(=O)[O-])cc1NCc1cc(C#N)n(C)c1	ZINC000583430074	325286827	/nfs/dbraw/zinc/28/68/27/325286827.db2.gz	IJHRJZSVZDYXLA-UHFFFAOYSA-N	-1	0	283.331	2.769	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000262977556	326980818	/nfs/dbraw/zinc/98/08/18/326980818.db2.gz	TZWJGBMBMGUOHF-SSDOTTSWSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)[O-]	ZINC000261589669	327089366	/nfs/dbraw/zinc/08/93/66/327089366.db2.gz	UBRYSVBYNAXWBZ-MRVPVSSYSA-N	-1	0	259.758	2.863	20	30		CFEDRM
COC(=O)[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000101799808	327222781	/nfs/dbraw/zinc/22/27/81/327222781.db2.gz	RSJAWRHOZUZDAJ-LHGJSEJASA-N	-1	0	290.146	2.927	20	30		CFEDRM
CC(C)(C)c1nc(=NCc2ccc(CC#N)cc2)s[n-]1	ZINC000571674120	328835238	/nfs/dbraw/zinc/83/52/38/328835238.db2.gz	MSSKONMRUHEHDZ-UHFFFAOYSA-N	-1	0	286.404	2.936	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000393763106	329089408	/nfs/dbraw/zinc/08/94/08/329089408.db2.gz	PHGREYYJYGFNED-XUXIUFHCSA-N	-1	0	294.395	2.768	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000398087922	329433254	/nfs/dbraw/zinc/43/32/54/329433254.db2.gz	MYVANBLOBHCGPP-FQUUOJAGSA-N	-1	0	294.395	2.626	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000261667164	329617448	/nfs/dbraw/zinc/61/74/48/329617448.db2.gz	FPMLULJKCATOAR-OAHLLOKOSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCN(C(=O)c1cccc(Br)c1[O-])C1CC1	ZINC000536820289	329968398	/nfs/dbraw/zinc/96/83/98/329968398.db2.gz	IHPBIAMROAZIIZ-UHFFFAOYSA-N	-1	0	296.164	2.945	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000572380015	330021122	/nfs/dbraw/zinc/02/11/22/330021122.db2.gz	WGLJAXLXFTURET-KOLCDFICSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000262788960	330031593	/nfs/dbraw/zinc/03/15/93/330031593.db2.gz	BQSVLGPYBAWUMW-AAEUAGOBSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000262811774	330033126	/nfs/dbraw/zinc/03/31/26/330033126.db2.gz	DMMOFAUOVYCOKW-VXGBXAGGSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000262809999	330033307	/nfs/dbraw/zinc/03/33/07/330033307.db2.gz	DHGHZDZXPOYGRR-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000262855054	330035337	/nfs/dbraw/zinc/03/53/37/330035337.db2.gz	IEVCPANWNMHBGP-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000262898616	330036309	/nfs/dbraw/zinc/03/63/09/330036309.db2.gz	MAXSVHOUQIPJGR-GXTWGEPZSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1	ZINC000263050128	330040881	/nfs/dbraw/zinc/04/08/81/330040881.db2.gz	DVJNMQYICWRXJI-LBPRGKRZSA-N	-1	0	291.347	2.796	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000263130623	330045048	/nfs/dbraw/zinc/04/50/48/330045048.db2.gz	XSMVKDKHJLEVPG-SMDDNHRTSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000263309991	330052093	/nfs/dbraw/zinc/05/20/93/330052093.db2.gz	WWUJBGASQNDKRS-SCZZXKLOSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000263531877	330059159	/nfs/dbraw/zinc/05/91/59/330059159.db2.gz	MWOWDOIEJQRDOX-GFCCVEGCSA-N	-1	0	275.348	2.788	20	30		CFEDRM
CCOc1cccnc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000093242823	330418319	/nfs/dbraw/zinc/41/83/19/330418319.db2.gz	PHGZJJDOHCUFJM-SNVBAGLBSA-N	-1	0	287.344	2.735	20	30		CFEDRM
C=CCOc1ccccc1CNCc1cc(C(=O)[O-])co1	ZINC000426716386	330514235	/nfs/dbraw/zinc/51/42/35/330514235.db2.gz	VOUMWSDRCAOZON-UHFFFAOYSA-N	-1	0	287.315	2.832	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ccnc(C(=O)[O-])c2)c1	ZINC000440000438	330745507	/nfs/dbraw/zinc/74/55/07/330745507.db2.gz	ZISLXRVEQMSIQE-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1c[nH]nc1C	ZINC000443421621	330799492	/nfs/dbraw/zinc/79/94/92/330799492.db2.gz	YRCVQOQNEMKLOV-UHFFFAOYSA-N	-1	0	291.376	2.638	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C(=O)[O-]	ZINC000448991624	330890471	/nfs/dbraw/zinc/89/04/71/330890471.db2.gz	JLWFWHIRAGRLMZ-HZRUHFOJSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CC(C)(C)C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000451227922	331021133	/nfs/dbraw/zinc/02/11/33/331021133.db2.gz	MFTFOGQCKRITKS-UHFFFAOYSA-N	-1	0	259.309	2.551	20	30		CFEDRM
C=C[C@](C)(CCOC)C(=O)Nc1ccc(O)c(F)c1F	ZINC000456782828	331203550	/nfs/dbraw/zinc/20/35/50/331203550.db2.gz	KPFKOQNERGZUKQ-CQSZACIVSA-N	-1	0	285.290	2.838	20	30		CFEDRM
C=C(CNC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1	ZINC000488904990	332033023	/nfs/dbraw/zinc/03/30/23/332033023.db2.gz	VQEUKLWWJZLRBU-UHFFFAOYSA-N	-1	0	294.763	2.945	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1s[n-]c(=O)c1Cl	ZINC000489861802	332070906	/nfs/dbraw/zinc/07/09/06/332070906.db2.gz	FSENULRKUQOXHY-UHFFFAOYSA-N	-1	0	287.772	2.562	20	30		CFEDRM
C#C[C@@H](N=c1nc(C)[n-]s1)c1ccc(Cl)cc1	ZINC000491306740	332186764	/nfs/dbraw/zinc/18/67/64/332186764.db2.gz	NOGGEOSSENBSBY-LLVKDONJSA-N	-1	0	263.753	2.708	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C(F)F)n1	ZINC000549918996	334208678	/nfs/dbraw/zinc/20/86/78/334208678.db2.gz	DGPQZFYQDBDHFA-SSDOTTSWSA-N	-1	0	296.302	2.613	20	30		CFEDRM
Cc1nc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)co1	ZINC000565222205	334546039	/nfs/dbraw/zinc/54/60/39/334546039.db2.gz	RSTSQWRMWGXHEU-UHFFFAOYSA-N	-1	0	288.351	2.687	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(F)c(F)c2[O-])C1	ZINC000565465483	334565664	/nfs/dbraw/zinc/56/56/64/334565664.db2.gz	BOUWZXIWVFZOHE-UHFFFAOYSA-N	-1	0	266.247	2.549	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2cc(C)ccc2o1)C(=O)[O-]	ZINC000262936783	334580519	/nfs/dbraw/zinc/58/05/19/334580519.db2.gz	PKCZVVJXYSVRPO-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cccc(C)c1Cl)C(=O)[O-]	ZINC000262946565	334581493	/nfs/dbraw/zinc/58/14/93/334581493.db2.gz	QGTWVCNCMLUVFX-NSHDSACASA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)C1CCC(C(=O)[O-])CC1	ZINC000263507357	334605024	/nfs/dbraw/zinc/60/50/24/334605024.db2.gz	BLWKALZKUSXVEM-HIFPTAJRSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCCCN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000580894296	335980976	/nfs/dbraw/zinc/98/09/76/335980976.db2.gz	FERIVOSVGRPWSI-UHFFFAOYSA-N	-1	0	293.323	2.871	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)CC(C)(C)C(=O)[O-]	ZINC000581092810	336007654	/nfs/dbraw/zinc/00/76/54/336007654.db2.gz	AVZLNELSTOADKU-UHFFFAOYSA-N	-1	0	289.375	2.745	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cn2)c1	ZINC000194296589	336015476	/nfs/dbraw/zinc/01/54/76/336015476.db2.gz	ODJQLNLSEGNHSV-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
N#CC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1	ZINC000581229280	336028169	/nfs/dbraw/zinc/02/81/69/336028169.db2.gz	BCVIUAQKZPFLKI-UHFFFAOYSA-N	-1	0	285.130	2.733	20	30		CFEDRM
C=CCn1c(C(C)C)n[n-]c1=Nc1cccc(OC)c1	ZINC000581278917	336035927	/nfs/dbraw/zinc/03/59/27/336035927.db2.gz	DPDKEKPRGMTGDH-UHFFFAOYSA-N	-1	0	272.352	2.762	20	30		CFEDRM
C=CCC1(CN=c2[n-]c(C3CCOCC3)no2)CCCC1	ZINC000581871470	336155676	/nfs/dbraw/zinc/15/56/76/336155676.db2.gz	TVBTUBURAGPRFC-UHFFFAOYSA-N	-1	0	291.395	2.934	20	30		CFEDRM
N#Cc1c[nH]c2ncnc(-c3cc(Cl)cc(C(=O)[O-])c3)c12	ZINC001243323237	782137832	/nfs/dbraw/zinc/13/78/32/782137832.db2.gz	ZVBTWEIILHWKKQ-UHFFFAOYSA-N	-1	0	298.689	2.848	20	30		CFEDRM
Cc1nc(-c2cc(Cl)cc(C(=O)[O-])c2)cnc1C#N	ZINC001243324484	782138977	/nfs/dbraw/zinc/13/89/77/782138977.db2.gz	SOCOGRWVPNWXPM-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
CCc1ncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)s1	ZINC000065043443	500752955	/nfs/dbraw/zinc/75/29/55/500752955.db2.gz	FIVYWXCHJMUSOD-JTQLQIEISA-N	-1	0	286.360	2.602	20	30		CFEDRM
CSc1cc(C([O-])=C(C#N)c2ccncn2)ccc1F	ZINC000354475871	534144465	/nfs/dbraw/zinc/14/44/65/534144465.db2.gz	YJZVVSCKWAZYSS-JTQLQIEISA-N	-1	0	287.319	2.828	20	30		CFEDRM
CC(C)(CC(=O)Nc1sc2c(c1C#N)CCC2)C(=O)[O-]	ZINC000078880221	519194999	/nfs/dbraw/zinc/19/49/99/519194999.db2.gz	JXHMUZQBYPNWPX-UHFFFAOYSA-N	-1	0	292.360	2.548	20	30		CFEDRM
C=CCC(CC=C)C(=O)NC1(C(=O)[O-])CCCCC1	ZINC000238067913	534563951	/nfs/dbraw/zinc/56/39/51/534563951.db2.gz	BORIHKHOZZERNM-UHFFFAOYSA-N	-1	0	265.353	2.659	20	30		CFEDRM
CCCN(CC(=O)[O-])c1cc(Cl)ccc1C#N	ZINC000062784955	521563974	/nfs/dbraw/zinc/56/39/74/521563974.db2.gz	PWOQFAFVGKKSGI-UHFFFAOYSA-N	-1	0	252.701	2.513	20	30		CFEDRM
C=CCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C	ZINC000262965106	534625120	/nfs/dbraw/zinc/62/51/20/534625120.db2.gz	IHQMOTGXNNXULW-AWEZNQCLSA-N	-1	0	261.321	2.512	20	30		CFEDRM
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230334351	524826040	/nfs/dbraw/zinc/82/60/40/524826040.db2.gz	LMRIUOMIILRVEU-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1	ZINC000048653236	524835317	/nfs/dbraw/zinc/83/53/17/524835317.db2.gz	JWBJIIFQGSXCFC-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230333928	525272608	/nfs/dbraw/zinc/27/26/08/525272608.db2.gz	ZHBAPSCYTYHDNG-UHFFFAOYSA-N	-1	0	278.358	2.729	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)c2cccc(Cl)c2Cl)c1C#N	ZINC000336476098	525400673	/nfs/dbraw/zinc/40/06/73/525400673.db2.gz	KJIIWJJDUIUAPC-UHFFFAOYSA-N	-1	0	295.129	2.571	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC000192848167	526712215	/nfs/dbraw/zinc/71/22/15/526712215.db2.gz	BBWDWDDHLNTIPI-NSHDSACASA-N	-1	0	291.347	2.612	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1	ZINC000192925062	526918624	/nfs/dbraw/zinc/91/86/24/526918624.db2.gz	GDWNHZGGYSPRTP-UHFFFAOYSA-N	-1	0	287.271	2.795	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N=c1nc(CCC)[n-]s1	ZINC000350984367	527289077	/nfs/dbraw/zinc/28/90/77/527289077.db2.gz	JCCMFYGXOKPJMQ-JTQLQIEISA-N	-1	0	282.413	2.779	20	30		CFEDRM
C=CCn1c(CC(C)(C)C)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000350719720	527309570	/nfs/dbraw/zinc/30/95/70/527309570.db2.gz	ULQDKNMVLIFJQH-UHFFFAOYSA-N	-1	0	288.399	2.558	20	30		CFEDRM
CCOc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1[O-]	ZINC000426647450	528382077	/nfs/dbraw/zinc/38/20/77/528382077.db2.gz	OXKCHPNZWHGJPV-UHFFFAOYSA-N	-1	0	297.314	2.618	20	30		CFEDRM
CCC(CC)n1nc(C([O-])=C(C#N)c2ccncn2)cc1C	ZINC000354466663	528902987	/nfs/dbraw/zinc/90/29/87/528902987.db2.gz	NDENEWLWTNKDHZ-ZDUSSCGKSA-N	-1	0	297.362	2.833	20	30		CFEDRM
CCC(CC)n1nccc1C([O-])=C(C#N)c1ccncn1	ZINC000354468176	528917107	/nfs/dbraw/zinc/91/71/07/528917107.db2.gz	LOTYTNMHYAWTDX-LBPRGKRZSA-N	-1	0	283.335	2.524	20	30		CFEDRM
CCSc1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000421811006	529259772	/nfs/dbraw/zinc/25/97/72/529259772.db2.gz	HJEQJCMSUWXICW-UHFFFAOYSA-N	-1	0	294.380	2.695	20	30		CFEDRM
CCCc1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000450906003	535465106	/nfs/dbraw/zinc/46/51/06/535465106.db2.gz	HVKMDPGQZRQVQG-UHFFFAOYSA-N	-1	0	276.340	2.535	20	30		CFEDRM
CCCc1n[n-]c(=NCc2ccc(F)c(C#N)c2Cl)o1	ZINC000432438905	535465604	/nfs/dbraw/zinc/46/56/04/535465604.db2.gz	DLCWUSKYDORPAE-UHFFFAOYSA-N	-1	0	294.717	2.720	20	30		CFEDRM
C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000935108718	649876462	/nfs/dbraw/zinc/87/64/62/649876462.db2.gz	PJFDPUMRJULAIQ-JHEVNIALSA-N	-1	0	270.332	2.885	20	30		CFEDRM
Cc1ccc2c(c1)C(=NNc1[n-]cnc3ncnc1-3)CCC2	ZINC000753924016	574054859	/nfs/dbraw/zinc/05/48/59/574054859.db2.gz	LJZBWPGIVVUOPR-UHFFFAOYSA-N	-1	0	292.346	2.814	20	30		CFEDRM
C[C@H](C/N=C/c1c(O)ccc2ccccc21)C(=O)[O-]	ZINC000736583783	574061393	/nfs/dbraw/zinc/06/13/93/574061393.db2.gz	BRGCHCGTVLHMEL-VCBXAZPMSA-N	-1	0	257.289	2.685	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[O-]	ZINC000738470026	574076468	/nfs/dbraw/zinc/07/64/68/574076468.db2.gz	GXXUTVRXSLYIPV-MJBXVCDLSA-N	-1	0	294.395	2.722	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cccnc2)s1	ZINC000730589293	574089558	/nfs/dbraw/zinc/08/95/58/574089558.db2.gz	BAACLYAAJUUXGT-ONEGZZNKSA-N	-1	0	259.286	2.737	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1	ZINC000738488867	574092181	/nfs/dbraw/zinc/09/21/81/574092181.db2.gz	OCOMWIUFTWUFRB-SKDRFNHKSA-N	-1	0	296.754	2.730	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-]	ZINC000738489169	574092921	/nfs/dbraw/zinc/09/29/21/574092921.db2.gz	RVWWWMCLIBIIMU-NSHDSACASA-N	-1	0	291.351	2.883	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2scnc2Cl)nc(C)n1	ZINC000744936222	574094133	/nfs/dbraw/zinc/09/41/33/574094133.db2.gz	PKTWOOBLHUVFDR-MRVPVSSYSA-N	-1	0	292.751	2.693	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000738490320	574094747	/nfs/dbraw/zinc/09/47/47/574094747.db2.gz	RBGBYOHFDCNJER-CQSZACIVSA-N	-1	0	294.395	2.581	20	30		CFEDRM
C=CCCOC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738494264	574095667	/nfs/dbraw/zinc/09/56/67/574095667.db2.gz	YKLNMPAGXJABMB-UHFFFAOYSA-N	-1	0	253.229	2.649	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H]1NC(=O)[O-]	ZINC000738494224	574095723	/nfs/dbraw/zinc/09/57/23/574095723.db2.gz	XRPQEOGEMYNDIQ-CHWSQXEVSA-N	-1	0	282.384	2.628	20	30		CFEDRM
CCCCCCCCNS(=O)(=O)c1cncc(F)c1	ZINC000754809377	574122179	/nfs/dbraw/zinc/12/21/79/574122179.db2.gz	VDRDSFSZPGBBGF-UHFFFAOYSA-N	-1	0	288.388	2.860	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1	ZINC000731644945	574125567	/nfs/dbraw/zinc/12/55/67/574125567.db2.gz	CVVUIZNOBDRNBZ-QMMMGPOBSA-N	-1	0	296.170	2.949	20	30		CFEDRM
CCCCC(COC)N=Nc1ccc(C(=O)[O-])cc1	ZINC000737413856	574138966	/nfs/dbraw/zinc/13/89/66/574138966.db2.gz	LYQQYLYWDOVRIE-UHFFFAOYSA-N	-1	0	264.325	2.989	20	30		CFEDRM
Cc1nc(-c2nnn[n-]2)c(N=NCC2CCCCCC2)o1	ZINC000737466866	574144080	/nfs/dbraw/zinc/14/40/80/574144080.db2.gz	FJYFMUYGDMYAKL-UHFFFAOYSA-N	-1	0	289.343	2.531	20	30		CFEDRM
COc1cccc(O)c1C=Nc1cccc(CC(=O)[O-])c1	ZINC000738119203	574157944	/nfs/dbraw/zinc/15/79/44/574157944.db2.gz	LYZMGYKOUWWSDJ-UHFFFAOYSA-N	-1	0	285.299	2.779	20	30		CFEDRM
COc1cccc(/C=N/C[C@@H](CC(C)C)C(=O)[O-])c1O	ZINC000738094710	574158018	/nfs/dbraw/zinc/15/80/18/574158018.db2.gz	BJPHEUQICHQTIG-GGNJANJASA-N	-1	0	279.336	2.567	20	30		CFEDRM
CCn1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cn1	ZINC000732530776	574160207	/nfs/dbraw/zinc/16/02/07/574160207.db2.gz	QZGHJVDUVPDBKX-ACAGNQJTSA-N	-1	0	270.288	2.533	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000732530026	574160534	/nfs/dbraw/zinc/16/05/34/574160534.db2.gz	HMROSMBMOFMBJV-ARJAWSKDSA-N	-1	0	276.317	2.559	20	30		CFEDRM
N#CCOc1ccc(COc2ccc(C(=O)[O-])cc2)cc1	ZINC000738425252	574168501	/nfs/dbraw/zinc/16/85/01/574168501.db2.gz	DHDFUBSFROKVOR-UHFFFAOYSA-N	-1	0	283.283	2.866	20	30		CFEDRM
N#Cc1ccc(OCCNc2cccc(CC(=O)[O-])c2)cc1	ZINC000738431124	574168581	/nfs/dbraw/zinc/16/85/81/574168581.db2.gz	PNPKTTQECGLGQL-UHFFFAOYSA-N	-1	0	296.326	2.676	20	30		CFEDRM
N#Cc1ccc(CNc2cccc(CC(=O)[O-])c2)c(F)c1	ZINC000738432849	574169059	/nfs/dbraw/zinc/16/90/59/574169059.db2.gz	SDAOQQDDQVCOAO-UHFFFAOYSA-N	-1	0	284.290	2.937	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCCC#N	ZINC000738534149	574172903	/nfs/dbraw/zinc/17/29/03/574172903.db2.gz	VMJUYWCWAUJABM-UHFFFAOYSA-N	-1	0	275.308	2.509	20	30		CFEDRM
CC[C@H](C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000755690860	574178184	/nfs/dbraw/zinc/17/81/84/574178184.db2.gz	UOJYQJFUBWBMEX-JTQLQIEISA-N	-1	0	293.330	2.919	20	30		CFEDRM
C[C@@H](CCC(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000755740338	574183172	/nfs/dbraw/zinc/18/31/72/574183172.db2.gz	LFCKIJQWSDKJPH-NWDGAFQWSA-N	-1	0	289.379	2.774	20	30		CFEDRM
Cc1ncccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000738886882	574189390	/nfs/dbraw/zinc/18/93/90/574189390.db2.gz	HOZURIIRPJOTFM-TWGQIWQCSA-N	-1	0	297.310	2.750	20	30		CFEDRM
N#Cc1ccc([C@@H](Nc2ccc3c(c2)CCO3)C(=O)[O-])cc1	ZINC000739109734	574199138	/nfs/dbraw/zinc/19/91/38/574199138.db2.gz	MUBCDLKUSOFEBG-MRXNPFEDSA-N	-1	0	294.310	2.731	20	30		CFEDRM
N#Cc1ccc(CNc2ccc(CNC(=O)[O-])cc2)cc1	ZINC000739118210	574199305	/nfs/dbraw/zinc/19/93/05/574199305.db2.gz	PDEQFAWPBBXQIZ-UHFFFAOYSA-N	-1	0	281.315	2.938	20	30		CFEDRM
Cc1ccc(NN=Cc2cccc(OCC(=O)[O-])c2)cc1	ZINC000733200216	574210771	/nfs/dbraw/zinc/21/07/71/574210771.db2.gz	BZEOHJUFJJJNDA-UHFFFAOYSA-N	-1	0	284.315	2.904	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc([C@@H](C)CC)cc1	ZINC000756232954	574217610	/nfs/dbraw/zinc/21/76/10/574217610.db2.gz	IBJXQFUIYZPELF-SWLSCSKDSA-N	-1	0	284.359	2.825	20	30		CFEDRM
CC(C)CCCCCC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000747936541	574220919	/nfs/dbraw/zinc/22/09/19/574220919.db2.gz	WEIBEAFDSPWJLF-UHFFFAOYSA-N	-1	0	273.340	2.698	20	30		CFEDRM
CN(Cc1nc(-c2ccc(C#N)cc2)cs1)C(=O)[O-]	ZINC000739715913	574223592	/nfs/dbraw/zinc/22/35/92/574223592.db2.gz	IPBQDGNBGIWXMR-UHFFFAOYSA-N	-1	0	273.317	2.792	20	30		CFEDRM
CCN(CC(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000748003287	574224466	/nfs/dbraw/zinc/22/44/66/574224466.db2.gz	FQXQNZVLSGSOMB-UHFFFAOYSA-N	-1	0	295.342	2.729	20	30		CFEDRM
O=C([O-])CSCC/N=C/c1c(O)ccc2ccccc21	ZINC000739858288	574226275	/nfs/dbraw/zinc/22/62/75/574226275.db2.gz	UDSZAWTXBIFDGI-CXUHLZMHSA-N	-1	0	289.356	2.782	20	30		CFEDRM
O=C([O-])NCc1ccc(N=Cc2ccccc2O)cc1	ZINC000739981235	574230569	/nfs/dbraw/zinc/23/05/69/574230569.db2.gz	QPBDWIVRLFVDJE-UHFFFAOYSA-N	-1	0	270.288	2.910	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2\COc3ccc(F)cc3C2=O)o1	ZINC000740124394	574237773	/nfs/dbraw/zinc/23/77/73/574237773.db2.gz	XPSPWQFVXSEPHV-VMPITWQZSA-N	-1	0	288.230	2.776	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NC[C@H]1CCCN1C(=O)[O-]	ZINC000740311952	574246531	/nfs/dbraw/zinc/24/65/31/574246531.db2.gz	WSJSZNSICNUUQP-LLVKDONJSA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc(N[C@H](CNC(=O)[O-])C2CCCCC2)nc1	ZINC000740317734	574246594	/nfs/dbraw/zinc/24/65/94/574246594.db2.gz	SBIYNHFECGDTFR-CYBMUJFWSA-N	-1	0	288.351	2.582	20	30		CFEDRM
C[C@@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccco1	ZINC000748411667	574251497	/nfs/dbraw/zinc/25/14/97/574251497.db2.gz	WOYNLUKGKPZSQU-SECBINFHSA-N	-1	0	256.261	2.599	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1N=Nc1ccc(F)cc1	ZINC000740620016	574258731	/nfs/dbraw/zinc/25/87/31/574258731.db2.gz	LHXDDKNUPZIOQF-VIFPVBQESA-N	-1	0	265.288	2.661	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccccn1	ZINC000756901689	574271418	/nfs/dbraw/zinc/27/14/18/574271418.db2.gz	WOVQXFORWRPUQB-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CCCCCCCCC(=O)N[C@H]1CCN(C(=O)[O-])C1	ZINC000739330210	574287329	/nfs/dbraw/zinc/28/73/29/574287329.db2.gz	LXEOWHAFLIZVCW-LBPRGKRZSA-N	-1	0	270.373	2.606	20	30		CFEDRM
COC1CCC(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000749930910	574316833	/nfs/dbraw/zinc/31/68/33/574316833.db2.gz	ORVCVHANMVDMMN-MHWRWJLKSA-N	-1	0	292.335	2.925	20	30		CFEDRM
C[C@]([N-]C(=O)C(F)(F)C(F)F)(C1CC1)C(F)(F)F	ZINC000750197609	574330490	/nfs/dbraw/zinc/33/04/90/574330490.db2.gz	JOGKCHAQNFEYRH-ZETCQYMHSA-N	-1	0	281.171	2.734	20	30		CFEDRM
COc1cccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000725853175	574332053	/nfs/dbraw/zinc/33/20/53/574332053.db2.gz	MCGHCPKQRJIHIU-UHFFFAOYSA-N	-1	0	287.275	2.755	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccsc1	ZINC000725860104	574335689	/nfs/dbraw/zinc/33/56/89/574335689.db2.gz	WYPRSLZYJKBKFV-UHFFFAOYSA-N	-1	0	287.369	2.629	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000736076242	574349827	/nfs/dbraw/zinc/34/98/27/574349827.db2.gz	COGBYMRVCNTNCM-OAHLLOKOSA-N	-1	0	295.294	2.701	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CNc1ccc(C(=O)[O-])c(C)c1	ZINC000736095326	574350656	/nfs/dbraw/zinc/35/06/56/574350656.db2.gz	QGCLQNFUIBUCGW-UHFFFAOYSA-N	-1	0	290.363	2.530	20	30		CFEDRM
C=C1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)CC1	ZINC000736094857	574350897	/nfs/dbraw/zinc/35/08/97/574350897.db2.gz	ZTJPOEWWVHNHHU-UHFFFAOYSA-N	-1	0	290.363	2.766	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccccc2NC(=O)[O-])CC1	ZINC000736096024	574351177	/nfs/dbraw/zinc/35/11/77/574351177.db2.gz	FVEFHBGUNYWFPC-UHFFFAOYSA-N	-1	0	274.320	2.815	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000736248228	574356741	/nfs/dbraw/zinc/35/67/41/574356741.db2.gz	HKRRQRGGNUKUOF-STQMWFEESA-N	-1	0	294.395	2.666	20	30		CFEDRM
N#Cc1cccc(OCCNc2ccccc2C(=O)[O-])c1	ZINC000739139342	574362834	/nfs/dbraw/zinc/36/28/34/574362834.db2.gz	FWXBBSZEMPCJJG-UHFFFAOYSA-N	-1	0	282.299	2.747	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@@](C)(CCC)C(=O)[O-]	ZINC000398203893	574363916	/nfs/dbraw/zinc/36/39/16/574363916.db2.gz	GQBYWDBVYNEJKL-FZMZJTMJSA-N	-1	0	270.373	2.674	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc(C)n3ccccc23)n1	ZINC000744010769	574375914	/nfs/dbraw/zinc/37/59/14/574375914.db2.gz	OTJGGLPIBHBDQU-LLVKDONJSA-N	-1	0	296.355	2.898	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000751516020	574378195	/nfs/dbraw/zinc/37/81/95/574378195.db2.gz	DLXBOUONIOPSRP-LLVKDONJSA-N	-1	0	262.309	2.599	20	30		CFEDRM
CN1CCc2cc(C=[NH+][N-]c3ccccc3C(=O)[O-])ccc21	ZINC000752720397	574393841	/nfs/dbraw/zinc/39/38/41/574393841.db2.gz	IKHAYCSJOJQNNN-UHFFFAOYSA-N	-1	0	295.342	2.823	20	30		CFEDRM
CN1CCc2cc(C=[NH+][N-]c3ccc(C(=O)[O-])cc3)ccc21	ZINC000752712621	574393883	/nfs/dbraw/zinc/39/38/83/574393883.db2.gz	AYXQJOXFBSRXMG-UHFFFAOYSA-N	-1	0	295.342	2.823	20	30		CFEDRM
Cc1nnc(NN=C2CC[C@@H](C)c3ccccc32)[n-]c1=O	ZINC000752722436	574393893	/nfs/dbraw/zinc/39/38/93/574393893.db2.gz	NJONJQKEAMMUMK-SECBINFHSA-N	-1	0	283.335	2.599	20	30		CFEDRM
CC(C)C1N=NC(=S)N1N=Cc1cccc(Cl)c1[O-]	ZINC000753161566	574399559	/nfs/dbraw/zinc/39/95/59/574399559.db2.gz	RODURABZFKRXOW-UHFFFAOYSA-N	-1	0	296.783	2.931	20	30		CFEDRM
CC(C)[C@H](C#N)OC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000824057212	603584563	/nfs/dbraw/zinc/58/45/63/603584563.db2.gz	POXHSSFSCQLLSL-NSHDSACASA-N	-1	0	280.255	2.621	20	30		CFEDRM
CCOc1ccc(/C=N\[C@H](CC(C)C)C(=O)[O-])c(O)c1	ZINC000818240068	597016534	/nfs/dbraw/zinc/01/65/34/597016534.db2.gz	OKDVROZIASQGLD-WPBJZHHJSA-N	-1	0	279.336	2.709	20	30		CFEDRM
O=C(C=NOCc1ccc(C(=O)[O-])cc1)Nc1ccccc1	ZINC000819135239	597299752	/nfs/dbraw/zinc/29/97/52/597299752.db2.gz	VAFYLRFKHASVHZ-UHFFFAOYSA-N	-1	0	298.298	2.526	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)N(CC(=O)[O-])c1ccccc1	ZINC000820954105	597354070	/nfs/dbraw/zinc/35/40/70/597354070.db2.gz	MSXFRYUZQHCTTM-UHFFFAOYSA-N	-1	0	294.310	2.598	20	30		CFEDRM
CC(=NNCCC(=O)[O-])c1oc2ccccc2c1C	ZINC000819727002	597743266	/nfs/dbraw/zinc/74/32/66/597743266.db2.gz	YDGASCUPDZYLAH-UHFFFAOYSA-N	-1	0	260.293	2.530	20	30		CFEDRM
N#CC[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)C(F)(F)F	ZINC000928801179	620014413	/nfs/dbraw/zinc/01/44/13/620014413.db2.gz	UKDVBFDPXVRIQH-SCSAIBSYSA-N	-1	0	298.133	2.535	20	30		CFEDRM
O=C([O-])[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1	ZINC000821541570	598199837	/nfs/dbraw/zinc/19/98/37/598199837.db2.gz	POJATJNYNGDRLZ-INIZCTEOSA-N	-1	0	283.302	2.593	20	30		CFEDRM
CC(C)(C)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1	ZINC000819846602	598221442	/nfs/dbraw/zinc/22/14/42/598221442.db2.gz	DUBTYSBYVMDSBG-INIZCTEOSA-N	-1	0	288.347	2.927	20	30		CFEDRM
CC(C)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1	ZINC000820057745	598222384	/nfs/dbraw/zinc/22/23/84/598222384.db2.gz	ZDLDSVAOLFFMBI-OAHLLOKOSA-N	-1	0	274.320	2.753	20	30		CFEDRM
C[C@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1ccccc1Cl	ZINC000820113881	598222399	/nfs/dbraw/zinc/22/23/99/598222399.db2.gz	HWNNRGKCPJSKAX-XPTSAGLGSA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1cccc([C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000821107217	598228296	/nfs/dbraw/zinc/22/82/96/598228296.db2.gz	OLCUGLWBNRXSPG-ABAIWWIYSA-N	-1	0	275.304	2.604	20	30		CFEDRM
CC(C)CC1(CNC(=O)[C@](C)(C#N)CC(=O)[O-])CCCC1	ZINC000819976806	598229942	/nfs/dbraw/zinc/22/99/42/598229942.db2.gz	GBVLUJVKZWPYDH-HNNXBMFYSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000042462046	600516092	/nfs/dbraw/zinc/51/60/92/600516092.db2.gz	PMOLBKRNIWCYDI-QMMMGPOBSA-N	-1	0	295.726	2.662	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1nncc2ccccc21	ZINC000254708488	599701097	/nfs/dbraw/zinc/70/10/97/599701097.db2.gz	JDGPNNXHCLVJHE-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000161189799	600279344	/nfs/dbraw/zinc/27/93/44/600279344.db2.gz	QEINUIPHLJSNPC-UHFFFAOYSA-N	-1	0	289.118	2.912	20	30		CFEDRM
O=C([O-])c1occc1/C=C\C(=O)c1ccc2c(c1)COC2	ZINC000833094404	600830252	/nfs/dbraw/zinc/83/02/52/600830252.db2.gz	HKIAFCZKBCACRY-ARJAWSKDSA-N	-1	0	284.267	2.904	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000178253376	600889723	/nfs/dbraw/zinc/88/97/23/600889723.db2.gz	CVGJHDIKJPXJTM-UHFFFAOYSA-N	-1	0	297.738	2.960	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000825636497	600929657	/nfs/dbraw/zinc/92/96/57/600929657.db2.gz	LXVSYMWLDLXFCR-UONOGXRCSA-N	-1	0	285.343	2.522	20	30		CFEDRM
CC(C)C[C@@H](OC(=O)CCc1ccc(C#N)cc1)C(=O)[O-]	ZINC000826813608	600955404	/nfs/dbraw/zinc/95/54/04/600955404.db2.gz	ORRXADPEEMMLDJ-CQSZACIVSA-N	-1	0	289.331	2.533	20	30		CFEDRM
CC(C)(C#N)CCCN1C[C@H](C(=O)[O-])Oc2ccccc21	ZINC000826072647	601112293	/nfs/dbraw/zinc/11/22/93/601112293.db2.gz	ZDLZYENPLOBVGE-CQSZACIVSA-N	-1	0	288.347	2.669	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000163125931	601137568	/nfs/dbraw/zinc/13/75/68/601137568.db2.gz	IKZAMIRZUBTIRA-SNVBAGLBSA-N	-1	0	262.309	2.779	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(=O)[O-])cc1	ZINC000833072676	601175900	/nfs/dbraw/zinc/17/59/00/601175900.db2.gz	OUIKIIJBLYIZOQ-YJNKXOJESA-N	-1	0	299.326	2.663	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(C)C	ZINC000825600369	601194436	/nfs/dbraw/zinc/19/44/36/601194436.db2.gz	LFWWKNIBWQGWCN-CYBMUJFWSA-N	-1	0	275.304	2.981	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc(OCCCC(=O)[O-])cc1	ZINC000833076960	601225748	/nfs/dbraw/zinc/22/57/48/601225748.db2.gz	UVZVNYCQGZEPKW-UHFFFAOYSA-N	-1	0	297.314	2.940	20	30		CFEDRM
N#Cc1cccc([C@@H](NCc2cccs2)C(=O)[O-])c1	ZINC000833076275	601298168	/nfs/dbraw/zinc/29/81/68/601298168.db2.gz	SYLVXPVEIMUNLC-CYBMUJFWSA-N	-1	0	272.329	2.535	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3c(O)cccc3C2=O)[nH]1	ZINC000833311981	601332793	/nfs/dbraw/zinc/33/27/93/601332793.db2.gz	GNENCDFKEZOXEC-HJWRWDBZSA-N	-1	0	283.283	2.631	20	30		CFEDRM
CCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829210061	601348972	/nfs/dbraw/zinc/34/89/72/601348972.db2.gz	YHWJSQVJHAXYEG-GXFFZTMASA-N	-1	0	275.304	2.663	20	30		CFEDRM
N#CC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCCC1	ZINC000833064498	601402962	/nfs/dbraw/zinc/40/29/62/601402962.db2.gz	JUVQMKDIRNDSNY-UHFFFAOYSA-N	-1	0	283.287	2.770	20	30		CFEDRM
C=CCCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000825664846	601437397	/nfs/dbraw/zinc/43/73/97/601437397.db2.gz	NNHLCTIGIMYCCU-GFCCVEGCSA-N	-1	0	259.305	2.558	20	30		CFEDRM
C=CCCCC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-]	ZINC000825671273	601437792	/nfs/dbraw/zinc/43/77/92/601437792.db2.gz	KCLFGLTWVYJEER-HNNXBMFYSA-N	-1	0	289.375	2.711	20	30		CFEDRM
N#Cc1csc(/C=C(/C(=O)[O-])c2ccncc2)c1	ZINC000833079840	601444727	/nfs/dbraw/zinc/44/47/27/601444727.db2.gz	ZTZMMECKVYCMKZ-WUXMJOGZSA-N	-1	0	256.286	2.640	20	30		CFEDRM
N#Cc1csc(C(=O)Oc2ccc(C(=O)[O-])cc2)c1	ZINC000833079560	601499378	/nfs/dbraw/zinc/49/93/78/601499378.db2.gz	XXMGQTMNVHCFPP-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
C[C@@H]1CC/C(=C\C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)C1	ZINC000828207770	601568112	/nfs/dbraw/zinc/56/81/12/601568112.db2.gz	QSVYAFXKQOLGKF-PIQUAJRNSA-N	-1	0	299.326	2.974	20	30		CFEDRM
Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1C(=O)[O-]	ZINC000832948076	601611860	/nfs/dbraw/zinc/61/18/60/601611860.db2.gz	QSMCUCSRNNNHTC-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
O=C([O-])c1occc1C=NNCc1cccc(Cl)c1	ZINC000833346989	601627115	/nfs/dbraw/zinc/62/71/15/601627115.db2.gz	YYAYGNBEURWAGR-UHFFFAOYSA-N	-1	0	278.695	2.755	20	30		CFEDRM
C[C@@H](OC(=O)c1cc(C#N)cs1)c1ccc(C(=O)[O-])o1	ZINC000827843078	601683287	/nfs/dbraw/zinc/68/32/87/601683287.db2.gz	CCLMFBINMNZIEE-SSDOTTSWSA-N	-1	0	291.284	2.829	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)c(F)c1	ZINC000832156959	601791105	/nfs/dbraw/zinc/79/11/05/601791105.db2.gz	IFSLDSZEBZLGPQ-GORDUTHDSA-N	-1	0	289.262	2.757	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c[nH]1	ZINC000833092894	601791624	/nfs/dbraw/zinc/79/16/24/601791624.db2.gz	PAGXGHXWMFENAI-SNAWJCMRSA-N	-1	0	286.243	2.517	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)c[nH]1	ZINC000833093024	601792445	/nfs/dbraw/zinc/79/24/45/601792445.db2.gz	RIDBNIUDMCKWBL-HNQUOIGGSA-N	-1	0	283.283	2.544	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3c(cccc3F)C2=O)c[nH]1	ZINC000833298178	601793446	/nfs/dbraw/zinc/79/34/46/601793446.db2.gz	PLVYTMFWUWNXJJ-WTKPLQERSA-N	-1	0	271.247	2.674	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3cc(F)ccc3C2=O)c[nH]1	ZINC000833298461	601793477	/nfs/dbraw/zinc/79/34/77/601793477.db2.gz	VOQZXEUBCQFHBU-KMKOMSMNSA-N	-1	0	271.247	2.674	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1c[nH]c(C(=O)[O-])c1)C2	ZINC000832487115	601794091	/nfs/dbraw/zinc/79/40/91/601794091.db2.gz	RTPVHOAIPJHTAY-WCIBSUBMSA-N	-1	0	283.283	2.544	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2ncc(Cl)cc2Cl)c[nH]1	ZINC000814740824	601796415	/nfs/dbraw/zinc/79/64/15/601796415.db2.gz	ZQBQKSRQNVUDLT-UHFFFAOYSA-N	-1	0	299.117	2.861	20	30		CFEDRM
Cc1ccc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)nc1	ZINC000794901864	602074068	/nfs/dbraw/zinc/07/40/68/602074068.db2.gz	JHAFMIFFTVIPSU-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
CCCC[C@@H](Nc1ccc(F)cc1OCC#N)C(=O)[O-]	ZINC000829296126	602097667	/nfs/dbraw/zinc/09/76/67/602097667.db2.gz	OEZWYSISNBJOCQ-GFCCVEGCSA-N	-1	0	280.299	2.783	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@@H](C)CC(=O)[O-])c1	ZINC000825647340	602143047	/nfs/dbraw/zinc/14/30/47/602143047.db2.gz	LCNMKBIOZUDSOQ-NSHDSACASA-N	-1	0	277.320	2.691	20	30		CFEDRM
C[C@@H](CC(=O)[O-])C(=O)[C@H](C#N)c1nc2ccccc2s1	ZINC000827241309	602178654	/nfs/dbraw/zinc/17/86/54/602178654.db2.gz	VNWSSCOYCAVPOM-IUCAKERBSA-N	-1	0	288.328	2.583	20	30		CFEDRM
N#Cc1cc(COC(=O)c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000833069304	602267004	/nfs/dbraw/zinc/26/70/04/602267004.db2.gz	ZTICXKUFSQSFHM-UHFFFAOYSA-N	-1	0	299.257	2.753	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000825664485	602291039	/nfs/dbraw/zinc/29/10/39/602291039.db2.gz	BKDHSDFBQGBBHJ-UHFFFAOYSA-N	-1	0	280.349	2.857	20	30		CFEDRM
COc1cc(F)cc(NN=Cc2ccc(C(=O)[O-])o2)c1	ZINC000832011060	602312488	/nfs/dbraw/zinc/31/24/88/602312488.db2.gz	PXDTZIKYIPLKMK-UHFFFAOYSA-N	-1	0	278.239	2.572	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000234295781	602376925	/nfs/dbraw/zinc/37/69/25/602376925.db2.gz	IDYXLJYBGIFLIK-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
C=CC[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823490653	602955367	/nfs/dbraw/zinc/95/53/67/602955367.db2.gz	IQEFIXQSEYKOIH-SGMGOOAPSA-N	-1	0	290.363	2.712	20	30		CFEDRM
C=CCCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823490489	603190812	/nfs/dbraw/zinc/19/08/12/603190812.db2.gz	DMVAMWVLUCOXLL-JTQLQIEISA-N	-1	0	262.309	2.920	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c(F)c1	ZINC000831136944	603199652	/nfs/dbraw/zinc/19/96/52/603199652.db2.gz	MFNBYFAUJGFMLL-WCQYABFASA-N	-1	0	291.326	2.936	20	30		CFEDRM
N#Cc1c(F)cccc1N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000831109388	603200025	/nfs/dbraw/zinc/20/00/25/603200025.db2.gz	HUOYPSCDRQJFNC-GXFFZTMASA-N	-1	0	291.326	2.936	20	30		CFEDRM
C=C(C)CCOC(=O)[C@H](CNC(=O)[O-])c1ccccc1	ZINC000823474813	603518497	/nfs/dbraw/zinc/51/84/97/603518497.db2.gz	RBNHJHAUOJILRZ-CYBMUJFWSA-N	-1	0	277.320	2.547	20	30		CFEDRM
CCC(CC)(CNc1ncc(C#N)cc1Cl)NC(=O)[O-]	ZINC000826566792	603524681	/nfs/dbraw/zinc/52/46/81/603524681.db2.gz	XGKFVZSAZOFQRT-UHFFFAOYSA-N	-1	0	296.758	2.845	20	30		CFEDRM
Cc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1NC(=O)[O-]	ZINC000830233854	603614882	/nfs/dbraw/zinc/61/48/82/603614882.db2.gz	JQRPHQVGLBQRTC-LBPRGKRZSA-N	-1	0	274.276	2.544	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823491370	603769304	/nfs/dbraw/zinc/76/93/04/603769304.db2.gz	VHQKRILRGZOGIZ-NXEZZACHSA-N	-1	0	277.324	2.711	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2ncc(C#N)cc2Cl)C1	ZINC000900376411	620666800	/nfs/dbraw/zinc/66/68/00/620666800.db2.gz	RZWXGEGARVBDDA-CQSZACIVSA-N	-1	0	293.754	2.688	20	30		CFEDRM
COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)O[C@H](C)C#N	ZINC000829192308	603996740	/nfs/dbraw/zinc/99/67/40/603996740.db2.gz	MZUIEEAQONUUEP-ZCFIWIBFSA-N	-1	0	298.682	2.507	20	30		CFEDRM
Cc1ccc(C(=O)C(C#N)c2ccccn2)cc1NC(=O)[O-]	ZINC000830175602	604219372	/nfs/dbraw/zinc/21/93/72/604219372.db2.gz	BQMSEUPKHUREQC-GFCCVEGCSA-N	-1	0	295.298	2.970	20	30		CFEDRM
C=CCCCN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000825671226	604280036	/nfs/dbraw/zinc/28/00/36/604280036.db2.gz	HOHVFKNVRPWEBD-UHFFFAOYSA-N	-1	0	265.284	2.562	20	30		CFEDRM
Cc1c(C)c(C)c(CN(CC#N)CC(=O)[O-])c(C)c1C	ZINC000832853596	604350788	/nfs/dbraw/zinc/35/07/88/604350788.db2.gz	NISCFMVLKFAKBY-UHFFFAOYSA-N	-1	0	274.364	2.639	20	30		CFEDRM
C=C(C)COC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823480992	604412963	/nfs/dbraw/zinc/41/29/63/604412963.db2.gz	UODKYMQPFNBWOZ-RYUDHWBXSA-N	-1	0	269.341	2.522	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000820934174	604451331	/nfs/dbraw/zinc/45/13/31/604451331.db2.gz	JCYCHTMABPCJQA-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(C[C@@H](C)C#N)C1CC1	ZINC000833679280	604485694	/nfs/dbraw/zinc/48/56/94/604485694.db2.gz	XPPPDTPGOHQUPL-JTQLQIEISA-N	-1	0	276.336	2.664	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825676014	604573788	/nfs/dbraw/zinc/57/37/88/604573788.db2.gz	ODUAGZNUJWFRDE-QWRGUYRKSA-N	-1	0	296.319	2.872	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1cc(C(=O)[O-])ccc1C)OCC	ZINC000833368265	604606504	/nfs/dbraw/zinc/60/65/04/604606504.db2.gz	FPLJQNZEKCHJLX-CYBMUJFWSA-N	-1	0	292.331	2.970	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCO2	ZINC000763368857	604665920	/nfs/dbraw/zinc/66/59/20/604665920.db2.gz	BEMYWUDBMJUDDE-UHFFFAOYSA-N	-1	0	297.314	2.551	20	30		CFEDRM
O=C([O-])N1CCC(C=NNCc2ccc(Cl)cc2)CC1	ZINC000831869489	604680938	/nfs/dbraw/zinc/68/09/38/604680938.db2.gz	OXSUCKHXJCWXAI-UHFFFAOYSA-N	-1	0	295.770	2.805	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccccc1N(C)C	ZINC000769588334	604684560	/nfs/dbraw/zinc/68/45/60/604684560.db2.gz	FDFOXVKRGUWNSX-UHFFFAOYSA-N	-1	0	298.346	2.682	20	30		CFEDRM
C[C@H](Nc1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC000833524131	604714922	/nfs/dbraw/zinc/71/49/22/604714922.db2.gz	AWDKJHHETVYBGD-JTQLQIEISA-N	-1	0	267.288	2.825	20	30		CFEDRM
C=C[C@H](CC(=O)OC/C=C(\C)C(=O)[O-])c1ccccc1	ZINC000833371912	604730112	/nfs/dbraw/zinc/73/01/12/604730112.db2.gz	WVFDGAMMDNTYJJ-CNELAYHGSA-N	-1	0	274.316	2.920	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(F)c1	ZINC000042343582	620676730	/nfs/dbraw/zinc/67/67/30/620676730.db2.gz	ANDAZHWZEFHSKT-UHFFFAOYSA-N	-1	0	273.329	2.569	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833678397	604793164	/nfs/dbraw/zinc/79/31/64/604793164.db2.gz	QKIFJLDKDQKROO-HJWRWDBZSA-N	-1	0	284.315	2.577	20	30		CFEDRM
C[C@@H](CSCC#Cc1ccc(F)cc1)C(=O)[O-]	ZINC000827575520	604799784	/nfs/dbraw/zinc/79/97/84/604799784.db2.gz	OKNXRGITFSFEDI-JTQLQIEISA-N	-1	0	252.310	2.631	20	30		CFEDRM
C=C1CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1	ZINC000382584185	604826930	/nfs/dbraw/zinc/82/69/30/604826930.db2.gz	PRGNEWQOPZHKED-UHFFFAOYSA-N	-1	0	258.730	2.651	20	30		CFEDRM
C=CCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000833372914	604858686	/nfs/dbraw/zinc/85/86/86/604858686.db2.gz	ARHNJEUOGGJWJF-ZDUSSCGKSA-N	-1	0	273.332	2.948	20	30		CFEDRM
O=C([O-])c1ccccc1C(=O)OCC#Cc1ccc(F)cc1	ZINC000833333634	604865035	/nfs/dbraw/zinc/86/50/35/604865035.db2.gz	SQUIZSMPWAAVOM-UHFFFAOYSA-N	-1	0	298.269	2.732	20	30		CFEDRM
CC(=NN[C@@H](C)CC#N)[C@@H](C)CCCCC(=O)[O-]	ZINC000814883429	604984003	/nfs/dbraw/zinc/98/40/03/604984003.db2.gz	NJJBKZDKKXFTND-QWRGUYRKSA-N	-1	0	253.346	2.535	20	30		CFEDRM
CC(C)CON=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000833489445	604989150	/nfs/dbraw/zinc/98/91/50/604989150.db2.gz	WXVNXPOVGZRDEU-UHFFFAOYSA-N	-1	0	260.293	2.873	20	30		CFEDRM
COc1ccc(C#N)cc1CS[C@H](C)CC(=O)[O-]	ZINC000130195103	605010895	/nfs/dbraw/zinc/01/08/95/605010895.db2.gz	UGIHTTZHUNVEQQ-SECBINFHSA-N	-1	0	265.334	2.663	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000833362892	605014415	/nfs/dbraw/zinc/01/44/15/605014415.db2.gz	PSBGWOHIUNOHGG-UHFFFAOYSA-N	-1	0	251.307	2.578	20	30		CFEDRM
C#CCCCCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1	ZINC000833362895	605018712	/nfs/dbraw/zinc/01/87/12/605018712.db2.gz	PWCVXGVFWQBRKO-JTQLQIEISA-N	-1	0	264.277	2.776	20	30		CFEDRM
C#CCCCCC(=O)Oc1ccc(SCC(=O)[O-])cc1	ZINC000833362605	605020573	/nfs/dbraw/zinc/02/05/73/605020573.db2.gz	AKSVYQUQQNGBKJ-UHFFFAOYSA-N	-1	0	292.356	2.962	20	30		CFEDRM
C=CCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1	ZINC000833373359	605059912	/nfs/dbraw/zinc/05/99/12/605059912.db2.gz	MHAWRYDZSOWMMT-UHFFFAOYSA-N	-1	0	273.292	2.556	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2c(c1)OCCO2	ZINC000793001253	605099208	/nfs/dbraw/zinc/09/92/08/605099208.db2.gz	IIQMOGNBFJMFJM-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1C#N	ZINC000833686456	605143946	/nfs/dbraw/zinc/14/39/46/605143946.db2.gz	WCLBIDWGRCEMBQ-UHFFFAOYSA-N	-1	0	298.273	2.672	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833747274	605168356	/nfs/dbraw/zinc/16/83/56/605168356.db2.gz	GZOPNVXXHHVOGK-UHFFFAOYSA-N	-1	0	298.302	2.547	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cncc(C(=O)[O-])c1	ZINC000398191534	605176591	/nfs/dbraw/zinc/17/65/91/605176591.db2.gz	ATDSUROWSVZCKU-SNVBAGLBSA-N	-1	0	277.324	2.646	20	30		CFEDRM
C#CCCCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1	ZINC000833362757	605214400	/nfs/dbraw/zinc/21/44/00/605214400.db2.gz	JBDOMXHJZVQJLE-UHFFFAOYSA-N	-1	0	291.322	2.827	20	30		CFEDRM
C[C@H](Oc1ccc(C=NNCCC(C)(C)C)cc1)C(=O)[O-]	ZINC000794928250	605262747	/nfs/dbraw/zinc/26/27/47/605262747.db2.gz	DHWNNERLGUUCCH-LBPRGKRZSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC(=NOC1CCCC1)c1ccccc1OCC(=O)[O-]	ZINC000833387238	605330168	/nfs/dbraw/zinc/33/01/68/605330168.db2.gz	WTQAHTUVSDDTAU-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
C[C@]1(C#N)CCCN([C@H](C(=O)[O-])c2ccccc2F)C1	ZINC000833551226	605419344	/nfs/dbraw/zinc/41/93/44/605419344.db2.gz	JWMPSHPMCCNLBW-DZGCQCFKSA-N	-1	0	276.311	2.577	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000826705513	605428486	/nfs/dbraw/zinc/42/84/86/605428486.db2.gz	BHSMVUTYHKNFNA-LLVKDONJSA-N	-1	0	275.308	2.507	20	30		CFEDRM
C=C(C)[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)OCC	ZINC000833367219	605464545	/nfs/dbraw/zinc/46/45/45/605464545.db2.gz	JGAWGRNAPWRHCZ-ZDUSSCGKSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1	ZINC000833551148	605477599	/nfs/dbraw/zinc/47/75/99/605477599.db2.gz	HBKONNUYUOQVTK-OAHLLOKOSA-N	-1	0	287.319	2.542	20	30		CFEDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NN[C@@H](C)CC#N	ZINC000824760778	605478296	/nfs/dbraw/zinc/47/82/96/605478296.db2.gz	XRQZWAQMCNYFMX-WCQYABFASA-N	-1	0	280.372	2.567	20	30		CFEDRM
C=CCN(Cc1ccc(NC(=O)[O-])nc1)CC(F)(F)F	ZINC000833788043	605547150	/nfs/dbraw/zinc/54/71/50/605547150.db2.gz	LWCWFJAZIUCHTD-UHFFFAOYSA-N	-1	0	289.257	2.722	20	30		CFEDRM
C=C(Cl)COC(=O)C[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823486511	605558292	/nfs/dbraw/zinc/55/82/92/605558292.db2.gz	YDSZXZJIKWGSJD-LLVKDONJSA-N	-1	0	283.711	2.681	20	30		CFEDRM
C#CCCCCCC(=O)Oc1ccccc1C(=O)[O-]	ZINC000833361946	605573276	/nfs/dbraw/zinc/57/32/76/605573276.db2.gz	STBPLYPVOYMDJP-UHFFFAOYSA-N	-1	0	260.289	2.874	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000833361781	605576938	/nfs/dbraw/zinc/57/69/38/605576938.db2.gz	LJAGRKALJXZNQC-HNNXBMFYSA-N	-1	0	287.359	2.902	20	30		CFEDRM
C#CCCCCCC(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000833361788	605577188	/nfs/dbraw/zinc/57/71/88/605577188.db2.gz	LYGGFMXUYDIFKH-UHFFFAOYSA-N	-1	0	280.349	2.672	20	30		CFEDRM
COc1ccc(O)cc1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000833733391	605577218	/nfs/dbraw/zinc/57/72/18/605577218.db2.gz	GNSJGPXQZMRJIB-HWKANZROSA-N	-1	0	288.255	2.588	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000833361785	605579984	/nfs/dbraw/zinc/57/99/84/605579984.db2.gz	LVFOJLJGKZNVAA-GFCCVEGCSA-N	-1	0	293.388	2.964	20	30		CFEDRM
C#CCCCCCC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000833361944	605602424	/nfs/dbraw/zinc/60/24/24/605602424.db2.gz	SQSMMPHPLLRZMB-ZDUSSCGKSA-N	-1	0	279.361	2.574	20	30		CFEDRM
C#CCCCCCC(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000833361535	605625622	/nfs/dbraw/zinc/62/56/22/605625622.db2.gz	AHWWTTAHDUVCFW-UHFFFAOYSA-N	-1	0	294.376	2.683	20	30		CFEDRM
CCCCCCCc1nc([C@@H]2COCCN2C(=O)[O-])no1	ZINC000833852909	605706613	/nfs/dbraw/zinc/70/66/13/605706613.db2.gz	LUDKMVYERMBERC-NSHDSACASA-N	-1	0	297.355	2.634	20	30		CFEDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)OCC1(C#N)CCCCC1	ZINC000833485142	605706911	/nfs/dbraw/zinc/70/69/11/605706911.db2.gz	ZVBRTVPNVYIMAZ-LBPRGKRZSA-N	-1	0	296.367	2.686	20	30		CFEDRM
C#CCCCCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000833361879	605710877	/nfs/dbraw/zinc/71/08/77/605710877.db2.gz	QMUDBQPFWJCSHU-HNNXBMFYSA-N	-1	0	287.359	2.555	20	30		CFEDRM
Cc1ccc(C#N)cc1NC[C@@H]1CCCN(C(=O)[O-])C1	ZINC000833902106	605719493	/nfs/dbraw/zinc/71/94/93/605719493.db2.gz	SPVWNJVMRDQTHG-ZDUSSCGKSA-N	-1	0	273.336	2.669	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C	ZINC000826820936	605754793	/nfs/dbraw/zinc/75/47/93/605754793.db2.gz	QFKHTFDPZRZAIO-STQMWFEESA-N	-1	0	284.400	2.994	20	30		CFEDRM
N#CC1(COC(=O)CC[C@@H]2CCCN2C(=O)[O-])CCCC1	ZINC000833964877	605782322	/nfs/dbraw/zinc/78/23/22/605782322.db2.gz	SMDGIHCMUWFRDP-LBPRGKRZSA-N	-1	0	294.351	2.536	20	30		CFEDRM
C=CCN(C(=O)c1cccc(NC(=O)[O-])c1)C1CC1	ZINC000833375170	605786006	/nfs/dbraw/zinc/78/60/06/605786006.db2.gz	HHRRMDZOMNFNGT-UHFFFAOYSA-N	-1	0	260.293	2.567	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NC[C@H](NC(=O)[O-])C1CC1	ZINC000833974331	605920981	/nfs/dbraw/zinc/92/09/81/605920981.db2.gz	JPBCIYRXDMWGHK-AWEZNQCLSA-N	-1	0	296.330	2.565	20	30		CFEDRM
N#Cc1cccc(Cl)c1NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833976489	605921247	/nfs/dbraw/zinc/92/12/47/605921247.db2.gz	NMJZIRZTMKENBV-LLVKDONJSA-N	-1	0	279.727	2.670	20	30		CFEDRM
N#Cc1cccc(SC2CCN(C(=O)[O-])CC2)c1	ZINC000833976662	605962693	/nfs/dbraw/zinc/96/26/93/605962693.db2.gz	PXBRUIUUKHXPFV-UHFFFAOYSA-N	-1	0	262.334	2.793	20	30		CFEDRM
N#CCCN(Cc1cccc(NC(=O)[O-])c1)CC1CC1	ZINC000833965730	605990757	/nfs/dbraw/zinc/99/07/57/605990757.db2.gz	QEHXHNIYQQIGAZ-UHFFFAOYSA-N	-1	0	273.336	2.902	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000834097112	605990984	/nfs/dbraw/zinc/99/09/84/605990984.db2.gz	QFABSFNWBMGHQP-UHFFFAOYSA-N	-1	0	292.295	2.527	20	30		CFEDRM
N#C[C@@H](OC(=O)C[C@@H]1CCCN1C(=O)[O-])C1CCCCC1	ZINC000833964667	606017782	/nfs/dbraw/zinc/01/77/82/606017782.db2.gz	MXCSXKDCNMHQMI-QWHCGFSZSA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#Cc1ccc([C@@H](O)COc2cccc(NC(=O)[O-])c2)cc1	ZINC000833974709	606037894	/nfs/dbraw/zinc/03/78/94/606037894.db2.gz	VRYLYFLHOUQVSY-HNNXBMFYSA-N	-1	0	298.298	2.761	20	30		CFEDRM
CCC[C@H](C)C(CC)N=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000821014080	606237446	/nfs/dbraw/zinc/23/74/46/606237446.db2.gz	BNXPPKCATBTHQW-QMMMGPOBSA-N	-1	0	291.359	2.777	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)C(=C)C)C(=O)[O-]	ZINC000910916822	622486512	/nfs/dbraw/zinc/48/65/12/622486512.db2.gz	ISMMEVUGGRKBMI-NSHDSACASA-N	-1	0	253.342	2.514	20	30		CFEDRM
CC(C)n1cc(/C=C\C(=O)c2ccc(O)cc2[O-])cn1	ZINC000255133724	617989231	/nfs/dbraw/zinc/98/92/31/617989231.db2.gz	SBFVAPUPYFJIIM-UTCJRWHESA-N	-1	0	272.304	2.771	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)c(C(=O)[O-])s1	ZINC000900940512	620733918	/nfs/dbraw/zinc/73/39/18/620733918.db2.gz	JHRQRLZWCRCNRB-VHSXEESVSA-N	-1	0	282.365	2.543	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000048451566	618072057	/nfs/dbraw/zinc/07/20/57/618072057.db2.gz	RTSUNYYINXZYFO-UHFFFAOYSA-N	-1	0	271.338	2.531	20	30		CFEDRM
CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)C(C)C)C1(C)C	ZINC000049418002	617604038	/nfs/dbraw/zinc/60/40/38/617604038.db2.gz	BTPKTXLPEYQKDS-MNOVXSKESA-N	-1	0	273.398	2.920	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1	ZINC000049417949	617604156	/nfs/dbraw/zinc/60/41/56/617604156.db2.gz	AGHCQODCUJNXMT-UHFFFAOYSA-N	-1	0	295.282	2.748	20	30		CFEDRM
C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501613	617607047	/nfs/dbraw/zinc/60/70/47/617607047.db2.gz	VBYQPVMYLMVSAZ-IINYFYTJSA-N	-1	0	291.372	2.916	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501601	617607160	/nfs/dbraw/zinc/60/71/60/617607160.db2.gz	DZMGVPXVBWUPRI-UHFFFAOYSA-N	-1	0	279.361	2.916	20	30		CFEDRM
Cc1nc(N[C@H]2Cc3ccc(C#N)cc3C2)sc1C(=O)[O-]	ZINC000900965701	620738026	/nfs/dbraw/zinc/73/80/26/620738026.db2.gz	MZZSKOFGUXDJAL-LBPRGKRZSA-N	-1	0	299.355	2.601	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCCC2(F)F)c1	ZINC000806551123	617659362	/nfs/dbraw/zinc/65/93/62/617659362.db2.gz	IRGANPUKAHBQKS-LBMJDHPKSA-N	-1	0	270.235	2.907	20	30		CFEDRM
C=C(C)CNN=Cc1ccc(C(=O)[O-])cc1Cl	ZINC000811651617	617666192	/nfs/dbraw/zinc/66/61/92/617666192.db2.gz	GSLTZEOSDJPXFF-UHFFFAOYSA-N	-1	0	252.701	2.538	20	30		CFEDRM
CC(C)c1nn(C)cc1-c1cc(OCC(=O)[O-])ccc1C#N	ZINC000900999712	620743379	/nfs/dbraw/zinc/74/33/79/620743379.db2.gz	AMZZKEFFGFGWPD-UHFFFAOYSA-N	-1	0	299.330	2.546	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1	ZINC000255004544	617724365	/nfs/dbraw/zinc/72/43/65/617724365.db2.gz	VQJSFMAPHRRZPJ-XQRVVYSFSA-N	-1	0	259.217	2.790	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1ccccc1	ZINC000048519100	617978652	/nfs/dbraw/zinc/97/86/52/617978652.db2.gz	JZFHNIOVBKDZSZ-UHFFFAOYSA-N	-1	0	279.292	2.519	20	30		CFEDRM
CC[C@@H](C)NN=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901232743	620768738	/nfs/dbraw/zinc/76/87/38/620768738.db2.gz	DHPAAEUFOMSRKY-ZCFIWIBFSA-N	-1	0	260.746	2.822	20	30		CFEDRM
O=C([O-])c1cc(C=NOCC2CC2)sc1Cl	ZINC000901245823	620770899	/nfs/dbraw/zinc/77/08/99/620770899.db2.gz	OXGJSKCTTKOPTK-UHFFFAOYSA-N	-1	0	259.714	2.860	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NN[C@H](C)C(C)(C)C	ZINC000901247092	620771473	/nfs/dbraw/zinc/77/14/73/620771473.db2.gz	YIRIQWWUKNMWOH-SNVBAGLBSA-N	-1	0	278.352	2.752	20	30		CFEDRM
N#Cc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])s1	ZINC000156650118	618123517	/nfs/dbraw/zinc/12/35/17/618123517.db2.gz	YKIGEIMFOIHVIR-GQCTYLIASA-N	-1	0	271.297	2.927	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@](C)(C(=O)[O-])C1	ZINC000261667162	618128037	/nfs/dbraw/zinc/12/80/37/618128037.db2.gz	FPMLULJKCATOAR-HNNXBMFYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
Cc1nc(C(=O)Nc2cc(C#N)ccc2[O-])c(C)s1	ZINC000178841503	618147590	/nfs/dbraw/zinc/14/75/90/618147590.db2.gz	WKZUUWRRMANLHM-UHFFFAOYSA-N	-1	0	273.317	2.590	20	30		CFEDRM
C=C[C@H](CCC(=O)[O-])NC(=O)O[C@H](C)CC(C)C	ZINC000926479291	618151616	/nfs/dbraw/zinc/15/16/16/618151616.db2.gz	JCAVMZFVKLOMMU-GHMZBOCLSA-N	-1	0	257.330	2.567	20	30		CFEDRM
N#Cc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])s1	ZINC000255574265	618173303	/nfs/dbraw/zinc/17/33/03/618173303.db2.gz	YKIGEIMFOIHVIR-XQRVVYSFSA-N	-1	0	271.297	2.927	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C(C)C)cc1	ZINC000092465900	618181118	/nfs/dbraw/zinc/18/11/18/618181118.db2.gz	CKMISBOEDITQHG-UHFFFAOYSA-N	-1	0	276.336	2.915	20	30		CFEDRM
Cn1ncc2c1CC/C(=C/c1cc(F)c([O-])c(F)c1)C2=O	ZINC000255319441	618195967	/nfs/dbraw/zinc/19/59/67/618195967.db2.gz	WWYORPPLBDACLX-WTKPLQERSA-N	-1	0	290.269	2.616	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1F	ZINC000176813430	618204653	/nfs/dbraw/zinc/20/46/53/618204653.db2.gz	KOPSZDRXPHCUGJ-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
Cc1ccsc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000176815649	618204946	/nfs/dbraw/zinc/20/49/46/618204946.db2.gz	FKEANQXOCKITGM-UHFFFAOYSA-N	-1	0	258.302	2.886	20	30		CFEDRM
COc1cc(OC)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176822318	618206192	/nfs/dbraw/zinc/20/61/92/618206192.db2.gz	HVSHXUNGHBWDLG-UHFFFAOYSA-N	-1	0	298.298	2.533	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(F)cc(F)c2)c1	ZINC000176826904	618207400	/nfs/dbraw/zinc/20/74/00/618207400.db2.gz	LJXVOGZLYPQUTI-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2cnc3ccccn23)c([O-])c1	ZINC000255635120	618236158	/nfs/dbraw/zinc/23/61/58/618236158.db2.gz	KTYJQJJUOJTIQO-YVMONPNESA-N	-1	0	294.310	2.945	20	30		CFEDRM
N#CCN(Cc1cc(F)cc(F)c1[O-])C1CCCC1	ZINC000894040713	618284642	/nfs/dbraw/zinc/28/46/42/618284642.db2.gz	VQLUHZNOGXDGLG-UHFFFAOYSA-N	-1	0	266.291	2.939	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@H](C)c1cc(C)sc1C	ZINC000092467518	618347828	/nfs/dbraw/zinc/34/78/28/618347828.db2.gz	DLZNMZYAHCICHL-SNVBAGLBSA-N	-1	0	296.392	2.708	20	30		CFEDRM
C=CCN(C(=O)c1cccc(Cl)c1[O-])[C@H](C)COC	ZINC000855371721	618354275	/nfs/dbraw/zinc/35/42/75/618354275.db2.gz	HUHJNZFTEGYKON-SNVBAGLBSA-N	-1	0	283.755	2.709	20	30		CFEDRM
COc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000013144699	618377862	/nfs/dbraw/zinc/37/78/62/618377862.db2.gz	WUFSCZGAQIOILP-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
COCCCNN=Cc1cc(Cl)c([O-])cc1Cl	ZINC000794544194	618407039	/nfs/dbraw/zinc/40/70/39/618407039.db2.gz	RKTLKZJANMVDFX-UHFFFAOYSA-N	-1	0	277.151	2.659	20	30		CFEDRM
CN(C)Cc1cnc(C=CC(=O)c2sccc2[O-])s1	ZINC000794710401	618445976	/nfs/dbraw/zinc/44/59/76/618445976.db2.gz	HIPLVJSSNGWFKI-ONEGZZNKSA-N	-1	0	294.401	2.868	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000909504419	618457367	/nfs/dbraw/zinc/45/73/67/618457367.db2.gz	FOLXPNBALJRRNM-OAHLLOKOSA-N	-1	0	261.321	2.855	20	30		CFEDRM
O=C([O-])[C@@H]1CCC(=NOCC2CC2)c2ccccc21	ZINC000814243956	618471491	/nfs/dbraw/zinc/47/14/91/618471491.db2.gz	WBBAOPJHTYYKRK-CYBMUJFWSA-N	-1	0	259.305	2.779	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CSC[C@H]1C	ZINC000794923312	618487303	/nfs/dbraw/zinc/48/73/03/618487303.db2.gz	ODCQWPVAAIIKMK-MRVPVSSYSA-N	-1	0	280.349	2.544	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909508297	618490679	/nfs/dbraw/zinc/49/06/79/618490679.db2.gz	SHOZTKQLTRAITI-OTYXRUKQSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C#CCCCCC(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000236424124	618622241	/nfs/dbraw/zinc/62/22/41/618622241.db2.gz	GPZZNQUDAPIPII-UHFFFAOYSA-N	-1	0	273.332	2.836	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000892708014	618724684	/nfs/dbraw/zinc/72/46/84/618724684.db2.gz	OWGGSOBCQCSYQR-GFCCVEGCSA-N	-1	0	295.404	2.796	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2ncccn2)n1	ZINC000892802464	618749597	/nfs/dbraw/zinc/74/95/97/618749597.db2.gz	NGPNEPOFHLFPIP-SECBINFHSA-N	-1	0	272.333	2.547	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000314436072	618808521	/nfs/dbraw/zinc/80/85/21/618808521.db2.gz	JXPHEKUXKGQMJM-KBPBESRZSA-N	-1	0	296.411	2.875	20	30		CFEDRM
O=C(/C=C\c1cccnc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000033509281	619123709	/nfs/dbraw/zinc/12/37/09/619123709.db2.gz	BMNRKMCYYKJHBM-HYXAFXHYSA-N	-1	0	270.244	2.592	20	30		CFEDRM
CCCCCNC(=S)NN=C(C)CC1(C(=O)[O-])CCC1	ZINC000814763424	619258436	/nfs/dbraw/zinc/25/84/36/619258436.db2.gz	BSJOSEKXEWUIIJ-UHFFFAOYSA-N	-1	0	299.440	2.662	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)c(C)o1	ZINC000048499615	619344730	/nfs/dbraw/zinc/34/47/30/619344730.db2.gz	KKASKCIORKSUIG-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518305	619348639	/nfs/dbraw/zinc/34/86/39/619348639.db2.gz	YTUPKJBLTLVCQR-HJWRWDBZSA-N	-1	0	253.323	2.600	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1)C1CC1	ZINC000048519464	619349951	/nfs/dbraw/zinc/34/99/51/619349951.db2.gz	IZUGLMCARWPGGU-PKNBQFBNSA-N	-1	0	279.361	2.829	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000748779245	619501024	/nfs/dbraw/zinc/50/10/24/619501024.db2.gz	YTVIWOPEKPIYEZ-UHFFFAOYSA-N	-1	0	271.301	2.764	20	30		CFEDRM
COC1(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])CCC1	ZINC000840705643	619840321	/nfs/dbraw/zinc/84/03/21/619840321.db2.gz	HHUZIUTYMVJGJH-GDNBJRDFSA-N	-1	0	278.308	2.679	20	30		CFEDRM
C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CS1	ZINC000840712344	619930996	/nfs/dbraw/zinc/93/09/96/619930996.db2.gz	XWSMMIRMLDVKFG-KOZXEDQYSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000909602063	619984938	/nfs/dbraw/zinc/98/49/38/619984938.db2.gz	SVTRCBPURLCKKO-IRXDYDNUSA-N	-1	0	289.375	2.747	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1SCC(=O)[O-]	ZINC000034974543	619997534	/nfs/dbraw/zinc/99/75/34/619997534.db2.gz	KORDIPSUMNDNPC-UHFFFAOYSA-N	-1	0	261.224	2.754	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1cccs1	ZINC000909638821	620009639	/nfs/dbraw/zinc/00/96/39/620009639.db2.gz	QRBUNZZJKPQWGU-NSHDSACASA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1ccccc1	ZINC000909656189	620038269	/nfs/dbraw/zinc/03/82/69/620038269.db2.gz	PHONGQRVBKCYNY-SCRDCRAPSA-N	-1	0	275.348	2.572	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCC1(SC)CC1	ZINC000800815163	620196583	/nfs/dbraw/zinc/19/65/83/620196583.db2.gz	NXHOXVREZQBFTR-UHFFFAOYSA-N	-1	0	280.349	2.687	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1cc(F)ccc1[O-]	ZINC000263633727	620197114	/nfs/dbraw/zinc/19/71/14/620197114.db2.gz	QTIIGSTXIMCRDZ-XQRVVYSFSA-N	-1	0	274.295	2.723	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000193369471	620267113	/nfs/dbraw/zinc/26/71/13/620267113.db2.gz	WPOKKPOMNDAPLP-CYBMUJFWSA-N	-1	0	276.336	2.525	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCCC(=O)[O-])c1ccccc1	ZINC000898836127	620495742	/nfs/dbraw/zinc/49/57/42/620495742.db2.gz	SCVYQEAZYWWCIO-CQSZACIVSA-N	-1	0	290.363	2.858	20	30		CFEDRM
COC[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000899227953	620533079	/nfs/dbraw/zinc/53/30/79/620533079.db2.gz	VOLNCEPJGZJWEJ-FKZYXTMDSA-N	-1	0	280.324	2.638	20	30		CFEDRM
C[C@@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCCCO1	ZINC000899227981	620533165	/nfs/dbraw/zinc/53/31/65/620533165.db2.gz	WAGKOPXZGJBQAE-AHSSXEFNSA-N	-1	0	278.308	2.679	20	30		CFEDRM
C=CC1(CC(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)CCCCC1	ZINC000899299540	620542829	/nfs/dbraw/zinc/54/28/29/620542829.db2.gz	YHOIDLKOSLPGKV-VNHYZAJKSA-N	-1	0	291.391	2.692	20	30		CFEDRM
CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1	ZINC000899759196	620597177	/nfs/dbraw/zinc/59/71/77/620597177.db2.gz	MTHNSATYRJDPSX-LBPRGKRZSA-N	-1	0	274.320	2.634	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899773930	620598895	/nfs/dbraw/zinc/59/88/95/620598895.db2.gz	AKOXNQINXBXUSW-WBMJQRKESA-N	-1	0	286.331	2.552	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C#N)c(F)c1	ZINC000899786475	620599484	/nfs/dbraw/zinc/59/94/84/620599484.db2.gz	SOUSORUTDZPFSZ-LLVKDONJSA-N	-1	0	292.310	2.773	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(SC(F)(F)F)cc1	ZINC000042279305	620601333	/nfs/dbraw/zinc/60/13/33/620601333.db2.gz	YOEPFTISVVPFKZ-UHFFFAOYSA-N	-1	0	299.295	2.563	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)C1	ZINC000899825727	620603816	/nfs/dbraw/zinc/60/38/16/620603816.db2.gz	OWLCSLKFNKRCOE-ZIAGYGMSSA-N	-1	0	281.396	2.938	20	30		CFEDRM
Cc1noc(C)c1/C=C1\CCc2occ(C(=O)[O-])c2C1=O	ZINC000901518152	620854317	/nfs/dbraw/zinc/85/43/17/620854317.db2.gz	VMWHGXBNSBTCPK-WEVVVXLNSA-N	-1	0	287.271	2.795	20	30		CFEDRM
CC(C)(C)n1cc(/C=C\C(=O)c2c([O-])cccc2F)nn1	ZINC000901561136	620857374	/nfs/dbraw/zinc/85/73/74/620857374.db2.gz	OQTWFXLXHYKKMJ-FPLPWBNLSA-N	-1	0	289.310	2.774	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000902030079	620954747	/nfs/dbraw/zinc/95/47/47/620954747.db2.gz	OCVGBSHGSJLVDV-GRYCIOLGSA-N	-1	0	294.395	2.568	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000902069233	620967411	/nfs/dbraw/zinc/96/74/11/620967411.db2.gz	JXXBHPGTHJOYJR-AWEZNQCLSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000902098013	620978743	/nfs/dbraw/zinc/97/87/43/620978743.db2.gz	HMIASNMMCHHPBM-HNNXBMFYSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCCCCN1c2ccc(F)cc2C([O-])=CS1(=O)=O	ZINC000902475693	621086623	/nfs/dbraw/zinc/08/66/23/621086623.db2.gz	NHIIZHDKXZWRPV-UHFFFAOYSA-N	-1	0	297.351	2.515	20	30		CFEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(CCC#N)cc1	ZINC000902839470	621188642	/nfs/dbraw/zinc/18/86/42/621188642.db2.gz	RQVXTMIUXIDRKY-INIZCTEOSA-N	-1	0	286.331	2.582	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-]	ZINC000905275100	621736003	/nfs/dbraw/zinc/73/60/03/621736003.db2.gz	CXPIASFUYGWMHD-DGCLKSJQSA-N	-1	0	265.353	2.609	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2C[C@H]3CCC[C@H]3C2)nc1	ZINC000905456436	621776307	/nfs/dbraw/zinc/77/63/07/621776307.db2.gz	FJQIFNHKOCQVFS-AOOOYVTPSA-N	-1	0	259.309	2.758	20	30		CFEDRM
CCC(=NNC1CC(c2ccc(F)cc2F)C1)C(=O)[O-]	ZINC000905469278	621780618	/nfs/dbraw/zinc/78/06/18/621780618.db2.gz	FLTITMWOYDRYKW-RLROJCQXSA-N	-1	0	282.290	2.651	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000907547296	622135663	/nfs/dbraw/zinc/13/56/63/622135663.db2.gz	QFBUCRCCPCABQX-GFCCVEGCSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000907575985	622137808	/nfs/dbraw/zinc/13/78/08/622137808.db2.gz	WSSZANVMDQAZPZ-PXAZEXFGSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000907577644	622138353	/nfs/dbraw/zinc/13/83/53/622138353.db2.gz	UQXRGMHRJVRYMG-BXUZGUMPSA-N	-1	0	261.321	2.531	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000907608701	622138662	/nfs/dbraw/zinc/13/86/62/622138662.db2.gz	JOPMGIKUEDHBTM-NSHDSACASA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cs1	ZINC000907632930	622144712	/nfs/dbraw/zinc/14/47/12/622144712.db2.gz	HCOAKZKVMDUZSD-QMMMGPOBSA-N	-1	0	253.323	2.987	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccccc1C1(C)CC1)C(=O)[O-]	ZINC000907659350	622148652	/nfs/dbraw/zinc/14/86/52/622148652.db2.gz	BDRLVPOYMBKFNH-CQSZACIVSA-N	-1	0	287.359	2.887	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000907694179	622153633	/nfs/dbraw/zinc/15/36/33/622153633.db2.gz	QZZWPAZCPHUGLR-STQMWFEESA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CC1(CC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCCCC1	ZINC000907722844	622156864	/nfs/dbraw/zinc/15/68/64/622156864.db2.gz	AUULSYDFDAGJEY-ZDUSSCGKSA-N	-1	0	277.364	2.803	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000907729772	622157599	/nfs/dbraw/zinc/15/75/99/622157599.db2.gz	WPXHMWJENFHTPF-DOMZBBRYSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCC[C@]1(CCC)C(=O)[O-]	ZINC000907729773	622157857	/nfs/dbraw/zinc/15/78/57/622157857.db2.gz	WPXHMWJENFHTPF-IUODEOHRSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000907853283	622167009	/nfs/dbraw/zinc/16/70/09/622167009.db2.gz	JQENVCACSGKSKM-SWLSCSKDSA-N	-1	0	269.385	2.842	20	30		CFEDRM
N#Cc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)s1	ZINC000833072558	625546426	/nfs/dbraw/zinc/54/64/26/625546426.db2.gz	UWDHWWQKDPSDNR-UHFFFAOYSA-N	-1	0	273.269	2.537	20	30		CFEDRM
N#CCN(CC(=O)[O-])Cc1csc(C2CCCCC2)n1	ZINC000833066891	625546509	/nfs/dbraw/zinc/54/65/09/625546509.db2.gz	LCGSGBZZUONMAI-UHFFFAOYSA-N	-1	0	293.392	2.601	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908601578	622248770	/nfs/dbraw/zinc/24/87/70/622248770.db2.gz	BDLWWSNMXMCRMT-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ncccc1CC)C(=O)[O-]	ZINC000908669692	622258468	/nfs/dbraw/zinc/25/84/68/622258468.db2.gz	OVPDPRKKRSCPAM-LBPRGKRZSA-N	-1	0	291.351	2.575	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ncc(C(C)C)s1)C(=O)[O-]	ZINC000908682057	622259108	/nfs/dbraw/zinc/25/91/08/622259108.db2.gz	RERQSENITZCQMM-SECBINFHSA-N	-1	0	297.380	2.807	20	30		CFEDRM
C=CCC(F)(F)C(=O)[N-]Cc1cc(C(F)(F)F)on1	ZINC000908731560	622268629	/nfs/dbraw/zinc/26/86/29/622268629.db2.gz	GUXSPCJQGBMUNO-UHFFFAOYSA-N	-1	0	284.184	2.521	20	30		CFEDRM
C#CCCCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-]	ZINC000908837026	622279129	/nfs/dbraw/zinc/27/91/29/622279129.db2.gz	GNJAHVYSIPZKDN-CQSZACIVSA-N	-1	0	287.359	2.539	20	30		CFEDRM
C=C1CCC(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)CC1	ZINC000908975579	622291728	/nfs/dbraw/zinc/29/17/28/622291728.db2.gz	RFJXYCHNMAYGQG-GOSISDBHSA-N	-1	0	299.370	2.775	20	30		CFEDRM
C=C(C)CCNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1	ZINC000909029895	622297637	/nfs/dbraw/zinc/29/76/37/622297637.db2.gz	FNSKYHRXFYQPDQ-ZDUSSCGKSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000909147161	622321922	/nfs/dbraw/zinc/32/19/22/622321922.db2.gz	DUGSWHIXCWXAEJ-OCCSQVGLSA-N	-1	0	275.348	2.525	20	30		CFEDRM
C=CC[C@H](C(=O)NCCCCC(=O)[O-])c1ccccc1	ZINC000909180863	622322858	/nfs/dbraw/zinc/32/28/58/622322858.db2.gz	JBIDVSXMLJQIOE-AWEZNQCLSA-N	-1	0	275.348	2.717	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)[O-])cc1C	ZINC000909167843	622324194	/nfs/dbraw/zinc/32/41/94/622324194.db2.gz	TUAIDDRLSZSFJK-MRXNPFEDSA-N	-1	0	291.347	2.999	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909250996	622332438	/nfs/dbraw/zinc/33/24/38/622332438.db2.gz	TYVRAUUUTWAEAG-PBHICJAKSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000909290788	622335547	/nfs/dbraw/zinc/33/55/47/622335547.db2.gz	XXKHXAQWRRJWMX-ZDUSSCGKSA-N	-1	0	267.369	2.596	20	30		CFEDRM
C#CCC1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCCC1	ZINC000909291744	622335586	/nfs/dbraw/zinc/33/55/86/622335586.db2.gz	LJHDBPFHVQBKCS-AWEZNQCLSA-N	-1	0	293.407	2.823	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1	ZINC000909295508	622336511	/nfs/dbraw/zinc/33/65/11/622336511.db2.gz	ZFEUVDVQVJUSLB-ZDUSSCGKSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000909700947	622342578	/nfs/dbraw/zinc/34/25/78/622342578.db2.gz	QHONSQSIBMIEBA-OAHLLOKOSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1cccc(C)c1Cl)C(=O)[O-]	ZINC000909713774	622344329	/nfs/dbraw/zinc/34/43/29/622344329.db2.gz	RVFWNURPOWQYDM-GFCCVEGCSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000909713428	622344392	/nfs/dbraw/zinc/34/43/92/622344392.db2.gz	PXWWSPNMHAFCNK-GFCCVEGCSA-N	-1	0	297.301	2.702	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1cccc(C(F)F)c1)C(=O)[O-]	ZINC000909713429	622344617	/nfs/dbraw/zinc/34/46/17/622344617.db2.gz	PXWWSPNMHAFCNK-LBPRGKRZSA-N	-1	0	297.301	2.702	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909731369	622347290	/nfs/dbraw/zinc/34/72/90/622347290.db2.gz	SFKIFESODHKREZ-HNNXBMFYSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C#CCC1(C(=O)NCCC(C)(C)C(=O)[O-])CCCCC1	ZINC000909753572	622350745	/nfs/dbraw/zinc/35/07/45/622350745.db2.gz	ZJCVPAHRLZZTDD-UHFFFAOYSA-N	-1	0	279.380	2.577	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000909773798	622351359	/nfs/dbraw/zinc/35/13/59/622351359.db2.gz	KWXQMHFIPRPEKB-VXGBXAGGSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccccc1	ZINC000909773797	622351422	/nfs/dbraw/zinc/35/14/22/622351422.db2.gz	KWXQMHFIPRPEKB-RYUDHWBXSA-N	-1	0	297.301	2.571	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000909813597	622355495	/nfs/dbraw/zinc/35/54/95/622355495.db2.gz	KXHBGJNZFDYFJM-LSDHHAIUSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C#CCCCC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21	ZINC000909951359	622375718	/nfs/dbraw/zinc/37/57/18/622375718.db2.gz	PXPCRNLWHPOOTF-HNNXBMFYSA-N	-1	0	299.370	2.724	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccc(C(C)C)c(Cl)c1)C(=O)[O-]	ZINC000910045536	622396712	/nfs/dbraw/zinc/39/67/12/622396712.db2.gz	FLDLSVOCBJMOJD-CYBMUJFWSA-N	-1	0	293.750	2.670	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000910302779	622427943	/nfs/dbraw/zinc/42/79/43/622427943.db2.gz	REBGTGIDSVVOEP-CQSZACIVSA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CC1CC(OC(C)(C)C)C1)C(=O)[O-]	ZINC000910292150	622430212	/nfs/dbraw/zinc/43/02/12/622430212.db2.gz	DOCZBBLOVPKIQQ-BPCQOVAHSA-N	-1	0	297.395	2.506	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000910372686	622436682	/nfs/dbraw/zinc/43/66/82/622436682.db2.gz	STMBQNHUBFAQDW-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1	ZINC000910368893	622436727	/nfs/dbraw/zinc/43/67/27/622436727.db2.gz	ZEECQSVFQGMCSW-HNNXBMFYSA-N	-1	0	287.359	2.821	20	30		CFEDRM
C#CCCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000910472119	622449856	/nfs/dbraw/zinc/44/98/56/622449856.db2.gz	HSZRVUWUYDLXAC-CABCVRRESA-N	-1	0	285.343	2.609	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](CC(=O)[O-])C1CCCC1	ZINC000910570654	622454677	/nfs/dbraw/zinc/45/46/77/622454677.db2.gz	ZSMUHKFTVHFXDY-CQSZACIVSA-N	-1	0	279.380	2.905	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)c1ccccc1	ZINC000910848568	622482178	/nfs/dbraw/zinc/48/21/78/622482178.db2.gz	VEMDKWVNRLUJNN-LVQVYYBASA-N	-1	0	299.370	2.525	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910904951	622484155	/nfs/dbraw/zinc/48/41/55/622484155.db2.gz	LDFAUMNCZUTNHH-CJNGLKHVSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000910914725	622486070	/nfs/dbraw/zinc/48/60/70/622486070.db2.gz	NNXIAAHQAUDKNB-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-]	ZINC000910913173	622486395	/nfs/dbraw/zinc/48/63/95/622486395.db2.gz	WSCMWOQWPJWXHI-JTNHKYCSSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C=C(CC)CC)C(=O)[O-]	ZINC000910917134	622486802	/nfs/dbraw/zinc/48/68/02/622486802.db2.gz	LXGOYDFYUMVHJI-GFCCVEGCSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccsc1C)C(=O)[O-]	ZINC000910916834	622486852	/nfs/dbraw/zinc/48/68/52/622486852.db2.gz	IWZJQLXQDDYCGZ-NSHDSACASA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C(/C)c1ccco1)C(=O)[O-]	ZINC000910921071	622487219	/nfs/dbraw/zinc/48/72/19/622487219.db2.gz	ACWTZZKHYQBMJC-NLYDNYMLSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CSc1ccccc1)C(=O)[O-]	ZINC000910919576	622487333	/nfs/dbraw/zinc/48/73/33/622487333.db2.gz	YEYXQFMFJQEVQH-CYBMUJFWSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCc1ccsc1)C(=O)[O-]	ZINC000910918204	622487363	/nfs/dbraw/zinc/48/73/63/622487363.db2.gz	IPKJOQSQHFNFSO-LBPRGKRZSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(F)ccc1C)C(=O)[O-]	ZINC000910918917	622487397	/nfs/dbraw/zinc/48/73/97/622487397.db2.gz	QKTCWBIQHWSIMJ-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000910922802	622487631	/nfs/dbraw/zinc/48/76/31/622487631.db2.gz	MNPAYXSOJFLFCG-VIFPVBQESA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C(C)=C\c1ccco1)C(=O)[O-]	ZINC000910925699	622488113	/nfs/dbraw/zinc/48/81/13/622488113.db2.gz	NOVIFIHSWFOVKT-OEYXZAGESA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C/C1CCCC1)C(=O)[O-]	ZINC000910925688	622488349	/nfs/dbraw/zinc/48/83/49/622488349.db2.gz	NOGPULRIUPLTAL-OCHBPSSRSA-N	-1	0	265.353	2.659	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccnc1	ZINC000910983782	622494281	/nfs/dbraw/zinc/49/42/81/622494281.db2.gz	RFJOJSGBMCCHHM-CQSZACIVSA-N	-1	0	278.352	2.684	20	30		CFEDRM
C=CCOc1ccc(C(=O)N(CCC)[C@@H](C)C(=O)[O-])cc1	ZINC000911711540	622537819	/nfs/dbraw/zinc/53/78/19/622537819.db2.gz	MZQOJVGTPKXSRY-LBPRGKRZSA-N	-1	0	291.347	2.577	20	30		CFEDRM
Cn1cc(C(=O)Nc2cc(C#N)ccc2[O-])c(C2CCC2)n1	ZINC000840405420	622717916	/nfs/dbraw/zinc/71/79/16/622717916.db2.gz	MPIAMNIBYBBOTP-UHFFFAOYSA-N	-1	0	296.330	2.517	20	30		CFEDRM
Cc1cccc(CO[N-]C(=O)[C@]2(C#N)CC3CCC2CC3)n1	ZINC000912631945	622754000	/nfs/dbraw/zinc/75/40/00/622754000.db2.gz	ZDAUSCUDBJGKBP-KVULBXGLSA-N	-1	0	299.374	2.658	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCC2CCC2)CC2CCC1CC2	ZINC000912724838	622768438	/nfs/dbraw/zinc/76/84/38/622768438.db2.gz	UDAOLWBHQIYXJM-ABIUDSBCSA-N	-1	0	262.353	2.554	20	30		CFEDRM
N#CCCCCC(=O)Nc1nccc(Br)c1[O-]	ZINC000913025637	622823194	/nfs/dbraw/zinc/82/31/94/622823194.db2.gz	VSFIUAVPZDMVBD-UHFFFAOYSA-N	-1	0	298.140	2.572	20	30		CFEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1ccc(O)cc1[O-]	ZINC000156626402	622952425	/nfs/dbraw/zinc/95/24/25/622952425.db2.gz	YPYNRIDRZVKJGG-DAFODLJHSA-N	-1	0	291.284	2.964	20	30		CFEDRM
O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1	ZINC000045100045	622964703	/nfs/dbraw/zinc/96/47/03/622964703.db2.gz	BAAIAWPTWBSHOV-UHFFFAOYSA-N	-1	0	293.319	2.660	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2CCCC2)c1	ZINC000045097877	622964851	/nfs/dbraw/zinc/96/48/51/622964851.db2.gz	DURXXUJKJQMUMS-UHFFFAOYSA-N	-1	0	295.360	2.725	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058080668	623031557	/nfs/dbraw/zinc/03/15/57/623031557.db2.gz	ZGFBLALEAXCLAX-NSHDSACASA-N	-1	0	289.397	2.587	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000046708864	623093099	/nfs/dbraw/zinc/09/30/99/623093099.db2.gz	RCCMMVRFFFWYLQ-GMSGAONNSA-N	-1	0	273.741	2.641	20	30		CFEDRM
Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000046708563	623094131	/nfs/dbraw/zinc/09/41/31/623094131.db2.gz	VEJMMIXGNFNQDT-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708569	623094143	/nfs/dbraw/zinc/09/41/43/623094143.db2.gz	DELBGJJGZCXRER-UHFFFAOYSA-N	-1	0	293.319	2.714	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CC(C)C	ZINC000046927898	623104654	/nfs/dbraw/zinc/10/46/54/623104654.db2.gz	PRROEPJXGCFUMY-UHFFFAOYSA-N	-1	0	255.339	2.686	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)cc1C	ZINC000046929784	623105046	/nfs/dbraw/zinc/10/50/46/623105046.db2.gz	ZDADFQZQCDSGQD-PWSUYJOCSA-N	-1	0	267.350	2.605	20	30		CFEDRM
CCCCCCCCCN(C)C(=O)c1cc(=O)n(C)[n-]1	ZINC000823169212	623249872	/nfs/dbraw/zinc/24/98/72/623249872.db2.gz	WYLNVULOXMYINP-UHFFFAOYSA-N	-1	0	281.400	2.948	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C(C)=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000823369141	623299987	/nfs/dbraw/zinc/29/99/87/623299987.db2.gz	XSPVZUZAFSPNPX-IWMPZKFUSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C#C[C@H](CCC)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000834363988	625639391	/nfs/dbraw/zinc/63/93/91/625639391.db2.gz	POQCYQUMYUFFDF-SNVBAGLBSA-N	-1	0	274.345	2.648	20	30		CFEDRM
CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC)o2)cc1	ZINC000173991890	623379476	/nfs/dbraw/zinc/37/94/76/623379476.db2.gz	NVYJUTIYAXCYCR-CYBMUJFWSA-N	-1	0	296.326	2.577	20	30		CFEDRM
N#CC(=C([O-])C1=COCCC1)c1nc2ccccc2o1	ZINC000174014704	623380569	/nfs/dbraw/zinc/38/05/69/623380569.db2.gz	HRJXCGQIGVYXQT-LLVKDONJSA-N	-1	0	268.272	2.698	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]Oc2ccccc2F)CC2CCC1CC2	ZINC000913817707	623600942	/nfs/dbraw/zinc/60/09/42/623600942.db2.gz	AGLVHRJIWYVTQU-ZEPSKSRBSA-N	-1	0	288.322	2.956	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000825043914	623614689	/nfs/dbraw/zinc/61/46/89/623614689.db2.gz	MQQBFFYZUFPZHA-UHFFFAOYSA-N	-1	0	289.360	2.881	20	30		CFEDRM
CCCC(CC)N=Nc1ccc(-c2nn[nH]n2)cc1	ZINC000825231853	623654992	/nfs/dbraw/zinc/65/49/92/623654992.db2.gz	BFHSNTUBOOQBJE-UHFFFAOYSA-N	-1	0	258.329	2.845	20	30		CFEDRM
C[C@H]1CC(=NOCCC(F)(F)F)CC[C@H]1C(=O)[O-]	ZINC000814910308	623695841	/nfs/dbraw/zinc/69/58/41/623695841.db2.gz	SJYPKHWWPFEOGH-IONNQARKSA-N	-1	0	267.247	2.832	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000152668439	623750536	/nfs/dbraw/zinc/75/05/36/623750536.db2.gz	YZCJKEUJUNZJPH-GQCTYLIASA-N	-1	0	260.268	2.644	20	30		CFEDRM
C=CCCn1cc(CNCc2cc(Cl)ccc2O)nn1	ZINC000826139811	623797805	/nfs/dbraw/zinc/79/78/05/623797805.db2.gz	OTYQBYRKBISRJI-UHFFFAOYSA-N	-1	0	292.770	2.503	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1	ZINC000826603100	623822376	/nfs/dbraw/zinc/82/23/76/623822376.db2.gz	CWNFFOFZVKUKED-WOPDTQHZSA-N	-1	0	256.305	2.639	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(C(=O)[O-])c1Cl)C(F)(F)F	ZINC000834998461	623920552	/nfs/dbraw/zinc/92/05/52/623920552.db2.gz	HZJLSYACZXGUED-ZCFIWIBFSA-N	-1	0	294.660	2.913	20	30		CFEDRM
Cc1cc(N=NC(C)c2ccc(CC(=O)[O-])cc2)nc(C)n1	ZINC000915970896	624197187	/nfs/dbraw/zinc/19/71/87/624197187.db2.gz	RTSNTSNPBVKMBW-UHFFFAOYSA-N	-1	0	298.346	2.557	20	30		CFEDRM
N#CCOc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000915982859	624201359	/nfs/dbraw/zinc/20/13/59/624201359.db2.gz	FWUQTHRIBZVNGB-UHFFFAOYSA-N	-1	0	297.270	2.953	20	30		CFEDRM
N#Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000915961556	624202674	/nfs/dbraw/zinc/20/26/74/624202674.db2.gz	HGYYKYZONCUEFA-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNCc2cccc(F)c2)c1	ZINC000915965550	624203642	/nfs/dbraw/zinc/20/36/42/624203642.db2.gz	SAFUNSKIPPKJPH-UHFFFAOYSA-N	-1	0	289.266	2.563	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H]3CCCC[C@@H]3C2)[n-]c1=O	ZINC000916282417	624236240	/nfs/dbraw/zinc/23/62/40/624236240.db2.gz	DWBNFQXZLIEJEK-WDEREUQCSA-N	-1	0	275.356	2.644	20	30		CFEDRM
COc1ccc(Cl)cc1C=NNc1nc(C)cc(=O)[nH]1	ZINC000917529550	624354144	/nfs/dbraw/zinc/35/41/44/624354144.db2.gz	QUSWYYUNHRJNSV-UHFFFAOYSA-N	-1	0	292.726	2.599	20	30		CFEDRM
Cc1ncc(C=NNc2ccc(C(=O)[O-])cc2)s1	ZINC000917528363	624354345	/nfs/dbraw/zinc/35/43/45/624354345.db2.gz	AFXNTUQEFODCNH-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
O=C([O-])c1ccccc1NN=C1COc2ccc(F)cc21	ZINC000918152726	624423473	/nfs/dbraw/zinc/42/34/73/624423473.db2.gz	NZXUCTAKQRBOQK-UHFFFAOYSA-N	-1	0	286.262	2.733	20	30		CFEDRM
CCCCCCCS(=O)(=O)Nc1ccc(C#N)c(C)n1	ZINC000830130140	624638160	/nfs/dbraw/zinc/63/81/60/624638160.db2.gz	CZYUTQGYTMDDSX-UHFFFAOYSA-N	-1	0	295.408	2.974	20	30		CFEDRM
FC(F)(F)c1n[n-]c(=S)n1N=CC=Cc1ccco1	ZINC000920361389	624714706	/nfs/dbraw/zinc/71/47/06/624714706.db2.gz	NQEYCXPINLAXQA-SROKDWKNSA-N	-1	0	288.254	2.726	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1	ZINC000920953487	624787001	/nfs/dbraw/zinc/78/70/01/624787001.db2.gz	KIGPTZHHLQSJKK-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000069572128	625160558	/nfs/dbraw/zinc/16/05/58/625160558.db2.gz	HYVLCJRGJIHUME-CSKARUKUSA-N	-1	0	285.390	2.697	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1	ZINC000851614227	634456054	/nfs/dbraw/zinc/45/60/54/634456054.db2.gz	UVQAQZQISKERFH-MRXNPFEDSA-N	-1	0	295.354	2.560	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834966270	625936185	/nfs/dbraw/zinc/93/61/85/625936185.db2.gz	FUCJFVUFLIKGSS-HZMBPMFUSA-N	-1	0	294.351	2.852	20	30		CFEDRM
CC[C@@H](NN=C1CC[C@H](C)c2ccsc21)C(=O)[O-]	ZINC000834981478	625944646	/nfs/dbraw/zinc/94/46/46/625944646.db2.gz	QHIGUVWNHIFOBB-WCBMZHEXSA-N	-1	0	266.366	2.802	20	30		CFEDRM
COC1(CN=Nc2ccc(C(=O)[O-])nc2)CCCCC1	ZINC000835006571	625954468	/nfs/dbraw/zinc/95/44/68/625954468.db2.gz	GTMIJHGPKQEITE-UHFFFAOYSA-N	-1	0	277.324	2.527	20	30		CFEDRM
CCO[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009137	625955759	/nfs/dbraw/zinc/95/57/59/625955759.db2.gz	OKPAAFPSKFPZTQ-ZDUSSCGKSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835009281	625955805	/nfs/dbraw/zinc/95/58/05/625955805.db2.gz	POMAFBOKLGDCNL-JTQLQIEISA-N	-1	0	268.288	2.737	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC2CCOCC2)cc1F	ZINC000835009442	625955863	/nfs/dbraw/zinc/95/58/63/625955863.db2.gz	SZAUCVBSGVAKTJ-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CCC[C@H](CN=Nc1ccc(C(=O)[O-])c(F)c1)OC	ZINC000835009282	625955972	/nfs/dbraw/zinc/95/59/72/625955972.db2.gz	POMAFBOKLGDCNL-SNVBAGLBSA-N	-1	0	268.288	2.737	20	30		CFEDRM
CC(C)OCC(C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009067	625956176	/nfs/dbraw/zinc/95/61/76/625956176.db2.gz	NKMSBMRVZPUAAU-UHFFFAOYSA-N	-1	0	268.288	2.737	20	30		CFEDRM
COCC(CC(C)C)N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009939	625957098	/nfs/dbraw/zinc/95/70/98/625957098.db2.gz	IVOGSCYWCJUFOU-UHFFFAOYSA-N	-1	0	282.315	2.984	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC[C@H]2C2CCC2)cn1	ZINC000835010347	625957123	/nfs/dbraw/zinc/95/71/23/625957123.db2.gz	YDUAIUDESGRXPZ-NSHDSACASA-N	-1	0	259.309	2.758	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCOC1	ZINC000835012016	625958416	/nfs/dbraw/zinc/95/84/16/625958416.db2.gz	MJCLHRVOCAGCOU-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC(C[C@H]1CCOC1)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012121	625958909	/nfs/dbraw/zinc/95/89/09/625958909.db2.gz	NKLWWFNSUYEBQF-SNVBAGLBSA-N	-1	0	280.299	2.738	20	30		CFEDRM
CC1(C)OCC[C@H]1NN=Cc1cccc(C(=O)[O-])c1Cl	ZINC000835020072	625965212	/nfs/dbraw/zinc/96/52/12/625965212.db2.gz	DIQIPTZZICQUFP-LLVKDONJSA-N	-1	0	296.754	2.529	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1	ZINC000073837857	626396096	/nfs/dbraw/zinc/39/60/96/626396096.db2.gz	DPXCCILDEZQZMB-UHFFFAOYSA-N	-1	0	294.376	2.576	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1	ZINC000073838081	626396218	/nfs/dbraw/zinc/39/62/18/626396218.db2.gz	CSDMKKYRPVADRA-NSHDSACASA-N	-1	0	291.413	2.811	20	30		CFEDRM
COC[C@H](C)S(=O)(=O)[N-]C(=O)CCC1CCCCC1	ZINC000073839092	626396222	/nfs/dbraw/zinc/39/62/22/626396222.db2.gz	OLLVYYZBRVVTCN-NSHDSACASA-N	-1	0	291.413	2.668	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000788082327	626420217	/nfs/dbraw/zinc/42/02/17/626420217.db2.gz	XKSPTLSJYDWXHP-SGUJLRQBSA-N	-1	0	257.318	2.669	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923192803	626456078	/nfs/dbraw/zinc/45/60/78/626456078.db2.gz	ZMKGRKHSEYIUFK-OAHLLOKOSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000923064022	626448421	/nfs/dbraw/zinc/44/84/21/626448421.db2.gz	LMXKHGSIIUBSPJ-CYBMUJFWSA-N	-1	0	280.711	2.917	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F	ZINC000923111941	626451452	/nfs/dbraw/zinc/45/14/52/626451452.db2.gz	UPKMPRFFQQFOMI-CQSZACIVSA-N	-1	0	278.283	2.711	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000923105303	626451534	/nfs/dbraw/zinc/45/15/34/626451534.db2.gz	QUQCPNPQCLVIQZ-ZDUSSCGKSA-N	-1	0	295.766	2.727	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923168865	626454575	/nfs/dbraw/zinc/45/45/75/626454575.db2.gz	VAGGTAZJSDDGQB-CZUORRHYSA-N	-1	0	294.395	2.714	20	30		CFEDRM
C=CC(C)(C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1	ZINC000923176431	626455106	/nfs/dbraw/zinc/45/51/06/626455106.db2.gz	IKNGHJZYWAKZKB-ZDUSSCGKSA-N	-1	0	281.396	2.986	20	30		CFEDRM
O=C(/C=C1\COc2ccc(F)cc21)c1ccc(O)cc1[O-]	ZINC000757467578	626552984	/nfs/dbraw/zinc/55/29/84/626552984.db2.gz	GFVJCVZTYACFPY-WEVVVXLNSA-N	-1	0	286.258	2.896	20	30		CFEDRM
Cc1nn(C)c(Cl)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000757476711	626553282	/nfs/dbraw/zinc/55/32/82/626553282.db2.gz	ZCWXQRURSRAPQV-FPLPWBNLSA-N	-1	0	276.723	2.984	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OCC(F)(F)F	ZINC000758360930	626589575	/nfs/dbraw/zinc/58/95/75/626589575.db2.gz	HYJNFTDZEPBYCJ-SECBINFHSA-N	-1	0	284.278	2.568	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC1CCCC1	ZINC000758485442	626595570	/nfs/dbraw/zinc/59/55/70/626595570.db2.gz	XNBCSDBSYBSHOJ-CYBMUJFWSA-N	-1	0	270.373	2.948	20	30		CFEDRM
CCC(=NOCC(F)F)c1ccc(C(=O)[O-])cc1	ZINC000758900429	626615987	/nfs/dbraw/zinc/61/59/87/626615987.db2.gz	UVCBLQITLDPLNP-UHFFFAOYSA-N	-1	0	257.236	2.781	20	30		CFEDRM
O=C(/C=C/c1nccs1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091458	626628229	/nfs/dbraw/zinc/62/82/29/626628229.db2.gz	RHOUSJZHWNRBKD-ONEGZZNKSA-N	-1	0	276.273	2.653	20	30		CFEDRM
C#CCCCCNC(=O)c1cccc(Br)c1[O-]	ZINC000759092759	626628413	/nfs/dbraw/zinc/62/84/13/626628413.db2.gz	FEEONYCIAVUVKN-UHFFFAOYSA-N	-1	0	296.164	2.688	20	30		CFEDRM
N#CC(=C([O-])c1cc(Cl)cs1)c1ccncn1	ZINC000759641219	626679274	/nfs/dbraw/zinc/67/92/74/626679274.db2.gz	AZFZDJUMLYFZMU-MRVPVSSYSA-N	-1	0	263.709	2.682	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNCc1cc(F)ccc1F	ZINC000759664360	626681124	/nfs/dbraw/zinc/68/11/24/626681124.db2.gz	CTQXFNDQCMMOJR-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
COc1ccccc1CC(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763370272	626983380	/nfs/dbraw/zinc/98/33/80/626983380.db2.gz	PWDKAYMJBKNJMB-UHFFFAOYSA-N	-1	0	299.330	2.819	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc(O)c(Cl)c2)nc1	ZINC000763369409	626983679	/nfs/dbraw/zinc/98/36/79/626983679.db2.gz	UOOYGZMWKRWMFT-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)c(C)n1C1CC1	ZINC000763370963	626983718	/nfs/dbraw/zinc/98/37/18/626983718.db2.gz	WBLKTQRWTSBWDP-UHFFFAOYSA-N	-1	0	298.346	2.979	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cc(Cl)ccc2O)nc1	ZINC000763369839	626983736	/nfs/dbraw/zinc/98/37/36/626983736.db2.gz	JLXAIEDSJABZMJ-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NOCC(F)(F)F	ZINC000764846339	627101271	/nfs/dbraw/zinc/10/12/71/627101271.db2.gz	GMNJSLLACNDLIY-UHFFFAOYSA-N	-1	0	253.607	2.958	20	30		CFEDRM
O=C([O-])c1csc(/C=C2/Oc3cc(O)ccc3C2=O)c1	ZINC000765825529	627159940	/nfs/dbraw/zinc/15/99/40/627159940.db2.gz	POIFRMZFXWNFNY-LFYBBSHMSA-N	-1	0	288.280	2.768	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC(C)(C)OC	ZINC000766029463	627172709	/nfs/dbraw/zinc/17/27/09/627172709.db2.gz	LOPCWNPJTMZONF-UHFFFAOYSA-N	-1	0	280.324	2.606	20	30		CFEDRM
Cc1cccc2c1[C@H](C)CC2=NNc1nnc(C)c(=O)[n-]1	ZINC000766687995	627214820	/nfs/dbraw/zinc/21/48/20/627214820.db2.gz	HOYBRZCZNYGMQC-SECBINFHSA-N	-1	0	283.335	2.517	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cncs2)cs1	ZINC000767729795	627280965	/nfs/dbraw/zinc/28/09/65/627280965.db2.gz	SHVFNXUXFMWDSM-OWOJBTEDSA-N	-1	0	265.315	2.799	20	30		CFEDRM
CC(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000768184278	627323322	/nfs/dbraw/zinc/32/33/22/627323322.db2.gz	FVSROQWMNNYDKS-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
Cc1nnc(N=NC2C[C@H](c3ccccc3)C2(C)C)[n-]c1=O	ZINC000768476348	627345977	/nfs/dbraw/zinc/34/59/77/627345977.db2.gz	MUMQGZDYLKQAKH-GFCCVEGCSA-N	-1	0	297.362	2.867	20	30		CFEDRM
CCc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1O	ZINC000770130495	627503810	/nfs/dbraw/zinc/50/38/10/627503810.db2.gz	ULGMKAXIOZPCDC-UHFFFAOYSA-N	-1	0	282.299	2.784	20	30		CFEDRM
O=C(C=Cc1ccc(-n2cncn2)cc1)c1sccc1[O-]	ZINC000773148790	627788873	/nfs/dbraw/zinc/78/88/73/627788873.db2.gz	HYOPDJGEGSGRJQ-UTCJRWHESA-N	-1	0	297.339	2.931	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774135840	627892344	/nfs/dbraw/zinc/89/23/44/627892344.db2.gz	PSRAJHIDVQIQLB-ALCCZGGFSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CCOCCON=C(CC)c1cc(C(=O)[O-])ccc1F	ZINC000774416521	627923214	/nfs/dbraw/zinc/92/32/14/627923214.db2.gz	IJHNMXNPWPZYIU-UHFFFAOYSA-N	-1	0	283.299	2.691	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOC1CCOCC1)CCC2	ZINC000774473710	627930705	/nfs/dbraw/zinc/93/07/05/627930705.db2.gz	WUZQKXSQJLWNSL-UHFFFAOYSA-N	-1	0	293.319	2.522	20	30		CFEDRM
CC(=NOC1CCCC1)c1cc(C(=O)[O-])ccc1O	ZINC000774603097	627941040	/nfs/dbraw/zinc/94/10/40/627941040.db2.gz	LMCKGBSFRSLADL-UHFFFAOYSA-N	-1	0	263.293	2.774	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NOC2CCCC2)cc1[O-]	ZINC000774603095	627941255	/nfs/dbraw/zinc/94/12/55/627941255.db2.gz	LJNSVICTCJAZJG-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
N#CC1(NC(=O)c2cccc(Cl)c2[O-])CCCC1	ZINC000775716476	628058642	/nfs/dbraw/zinc/05/86/42/628058642.db2.gz	BDPOSDIQGRDECC-UHFFFAOYSA-N	-1	0	264.712	2.612	20	30		CFEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F	ZINC000776659470	628166968	/nfs/dbraw/zinc/16/69/68/628166968.db2.gz	QITUORBCJPGVFX-GFCCVEGCSA-N	-1	0	283.274	2.563	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725980	628171658	/nfs/dbraw/zinc/17/16/58/628171658.db2.gz	ITCGFXVVFZNXNX-CQSZACIVSA-N	-1	0	292.335	2.664	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(O)c(C(=O)[O-])c1)c1ccccc1	ZINC000777432800	628224825	/nfs/dbraw/zinc/22/48/25/628224825.db2.gz	KRWMGGGLJKGHQC-LLVKDONJSA-N	-1	0	284.315	2.775	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000777468779	628228562	/nfs/dbraw/zinc/22/85/62/628228562.db2.gz	ZPZBEXWHJLGIIZ-RJRFIUFISA-N	-1	0	288.234	2.731	20	30		CFEDRM
CC[C@H](C)n1nc(C(=O)Nc2cc(C#N)ccc2[O-])cc1C	ZINC000778398075	628304338	/nfs/dbraw/zinc/30/43/38/628304338.db2.gz	KCDJTZXZPMEOCF-JTQLQIEISA-N	-1	0	298.346	2.992	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000780188502	628438032	/nfs/dbraw/zinc/43/80/32/628438032.db2.gz	STKGEWKUWOIUIA-WDZFZDKYSA-N	-1	0	297.266	2.828	20	30		CFEDRM
C=CCC[C@H](NC(=O)N(CC)CC(=O)[O-])c1ccccc1	ZINC000780689416	628487556	/nfs/dbraw/zinc/48/75/56/628487556.db2.gz	GDJAXQWMDQVKMV-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
CCSCCC=Nn1c(=O)c2ccccc2[n-]c1=S	ZINC000781123704	628523364	/nfs/dbraw/zinc/52/33/64/628523364.db2.gz	GKFQZEZEBPSWFP-UHFFFAOYSA-N	-1	0	293.417	2.662	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1ccc(CC(=O)[O-])cc1	ZINC000781134089	628525334	/nfs/dbraw/zinc/52/53/34/628525334.db2.gz	QNVQSWHWIWMSQV-UHFFFAOYSA-N	-1	0	287.294	2.684	20	30		CFEDRM
O=C([O-])c1ccc(NN=C2COCc3ccccc32)cc1	ZINC000782098444	628604295	/nfs/dbraw/zinc/60/42/95/628604295.db2.gz	TVNMIDRDCZTVHE-UHFFFAOYSA-N	-1	0	282.299	2.731	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC[C@@H]2CCOC2)c1[O-]	ZINC000783686370	628734579	/nfs/dbraw/zinc/73/45/79/628734579.db2.gz	ZQAOCZSXKBPWEW-NEFPKRPYSA-N	-1	0	298.726	2.799	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCC[C@@H]1CCOC1	ZINC000786036645	628932060	/nfs/dbraw/zinc/93/20/60/628932060.db2.gz	LPZDWHUSIAOCQU-LLVKDONJSA-N	-1	0	292.335	2.608	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)C(=O)NCc1cccc(C)c1	ZINC000786549808	628968504	/nfs/dbraw/zinc/96/85/04/628968504.db2.gz	SKRRHMCJIUQWBR-OAHLLOKOSA-N	-1	0	296.326	2.535	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000786775959	628978641	/nfs/dbraw/zinc/97/86/41/628978641.db2.gz	DTQUEBKJYJNUTK-UWVGGRQHSA-N	-1	0	295.301	2.587	20	30		CFEDRM
CC(=NNCC(F)(F)F)c1cc(C(=O)[O-])ccc1C	ZINC000788440612	629067223	/nfs/dbraw/zinc/06/72/23/629067223.db2.gz	JNHKTCBNUJVZMB-UHFFFAOYSA-N	-1	0	274.242	2.569	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1coc(C)n1	ZINC000788931685	629109750	/nfs/dbraw/zinc/10/97/50/629109750.db2.gz	JOZBTAMGVRDDMR-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)nn1	ZINC000789004770	629116026	/nfs/dbraw/zinc/11/60/26/629116026.db2.gz	WGVYROVQMUOHJC-ZDUSSCGKSA-N	-1	0	296.330	2.563	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)n(C)n1	ZINC000789155544	629130120	/nfs/dbraw/zinc/13/01/20/629130120.db2.gz	BUKUXFWUSXXGRR-ARJAWSKDSA-N	-1	0	278.258	2.608	20	30		CFEDRM
N#CC(=C([O-])c1nc(Cl)cs1)c1ccccn1	ZINC000789403838	629153662	/nfs/dbraw/zinc/15/36/62/629153662.db2.gz	SHCCSRNWLDNUMJ-SSDOTTSWSA-N	-1	0	263.709	2.682	20	30		CFEDRM
Cc1cccnc1N=NC(C)c1ccc(C(=O)[O-])cc1	ZINC000790193885	629218857	/nfs/dbraw/zinc/21/88/57/629218857.db2.gz	RDWJCSAMXBGHFD-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
O=C(OCC#Cc1ccccc1)c1c(F)cc([O-])cc1F	ZINC000791385082	629306956	/nfs/dbraw/zinc/30/69/56/629306956.db2.gz	JRXSJTFVVWKLED-UHFFFAOYSA-N	-1	0	288.249	2.879	20	30		CFEDRM
CCN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792162630	629404285	/nfs/dbraw/zinc/40/42/85/629404285.db2.gz	PRLBLWXIBRRIGP-UHFFFAOYSA-N	-1	0	256.708	2.920	20	30		CFEDRM
COCCN(CCC#N)Cc1c([O-])ccc(Cl)c1F	ZINC000792168032	629405135	/nfs/dbraw/zinc/40/51/35/629405135.db2.gz	YJYCZPDHHXDMHA-UHFFFAOYSA-N	-1	0	286.734	2.547	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C)CCCC1	ZINC000835156832	629472186	/nfs/dbraw/zinc/47/21/86/629472186.db2.gz	RCHYZPXPKSSHFC-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CCC(=NNCc1ccc(C(F)(F)F)cc1C)C(=O)[O-]	ZINC000793056632	629480785	/nfs/dbraw/zinc/48/07/85/629480785.db2.gz	JAPHOPDSORZPGH-LLVKDONJSA-N	-1	0	288.269	2.801	20	30		CFEDRM
CCSc1ccc(C(C)=NN[C@H](CC)C(=O)[O-])cc1	ZINC000793055666	629480891	/nfs/dbraw/zinc/48/08/91/629480891.db2.gz	NXNHVHCSRBCDGI-CYBMUJFWSA-N	-1	0	280.393	2.975	20	30		CFEDRM
CC[C@@H](NN=C[C@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000793055768	629480973	/nfs/dbraw/zinc/48/09/73/629480973.db2.gz	BXVFBZHMJQEKGZ-TZMCWYRMSA-N	-1	0	260.337	2.545	20	30		CFEDRM
CC[C@H](NN=C[C@@H](C)CCc1ccccc1)C(=O)[O-]	ZINC000793072653	629482842	/nfs/dbraw/zinc/48/28/42/629482842.db2.gz	UGIWJRHXMMAHLS-JSGCOSHPSA-N	-1	0	262.353	2.694	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc2cc(O)ccc2c1)C(=O)[O-]	ZINC000793072351	629482919	/nfs/dbraw/zinc/48/29/19/629482919.db2.gz	NLKGLNYIXJAWEE-HNNXBMFYSA-N	-1	0	286.331	2.722	20	30		CFEDRM
CC[C@H](NN=Cc1cnc(-c2ccccc2)s1)C(=O)[O-]	ZINC000793072777	629482987	/nfs/dbraw/zinc/48/29/87/629482987.db2.gz	WKYYEALSBPURIV-LBPRGKRZSA-N	-1	0	289.360	2.597	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc2ccccc2c1O)C(=O)[O-]	ZINC000793071959	629482996	/nfs/dbraw/zinc/48/29/96/629482996.db2.gz	JINDJQNKVSLBHG-CQSZACIVSA-N	-1	0	286.331	2.722	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1ccc(CC)cc1	ZINC000793070722	629483036	/nfs/dbraw/zinc/48/30/36/629483036.db2.gz	CXWXZUZDLFRSMZ-AWEZNQCLSA-N	-1	0	262.353	2.816	20	30		CFEDRM
CC[C@H](NN=C1CCC(C)(C)c2ccccc21)C(=O)[O-]	ZINC000793073530	629483454	/nfs/dbraw/zinc/48/34/54/629483454.db2.gz	XCXLJIBSGOCCQL-ZDUSSCGKSA-N	-1	0	274.364	2.915	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2cccc(F)c2)C1)C(=O)[O-]	ZINC000793073896	629483781	/nfs/dbraw/zinc/48/37/81/629483781.db2.gz	XNKSGQVEVAWUPY-JLOHTSLTSA-N	-1	0	264.300	2.512	20	30		CFEDRM
CC[C@H](NN=C1CCCOc2ccc(Cl)cc21)C(=O)[O-]	ZINC000793073487	629483871	/nfs/dbraw/zinc/48/38/71/629483871.db2.gz	WHGGXDVQYKUATR-NSHDSACASA-N	-1	0	296.754	2.670	20	30		CFEDRM
C[C@@H](NN=Cc1cccc(O[C@@H](C)C(=O)[O-])c1)C(C)(C)C	ZINC000793112036	629488661	/nfs/dbraw/zinc/48/86/61/629488661.db2.gz	NQUFMIANUSVZGB-NWDGAFQWSA-N	-1	0	292.379	2.897	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000793145379	629492221	/nfs/dbraw/zinc/49/22/21/629492221.db2.gz	IYKGMVCROUPOCG-NEPJUHHUSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC[C@@H](C)CON=Cc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000793158503	629494453	/nfs/dbraw/zinc/49/44/53/629494453.db2.gz	IABAZPRDLMUJKR-VXGBXAGGSA-N	-1	0	279.336	2.935	20	30		CFEDRM
CC(N=Nc1cccc(Cl)n1)c1ccc(C(=O)[O-])o1	ZINC000793173721	629498481	/nfs/dbraw/zinc/49/84/81/629498481.db2.gz	CVHBXFIRCFNHOB-UHFFFAOYSA-N	-1	0	279.683	2.862	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2CCCC2)CCCC1	ZINC000835214781	629529324	/nfs/dbraw/zinc/52/93/24/629529324.db2.gz	UHKJBQCYWDNMMB-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccnc(F)c2)cc1	ZINC000794719119	629679050	/nfs/dbraw/zinc/67/90/50/629679050.db2.gz	MQBMNPZNTWFCMI-ZZXKWVIFSA-N	-1	0	271.247	2.815	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1ccc(CC(=O)[O-])cc1	ZINC000795006325	629722869	/nfs/dbraw/zinc/72/28/69/629722869.db2.gz	MOPCLCLPAAUDKL-UHFFFAOYSA-N	-1	0	287.294	2.684	20	30		CFEDRM
CC(N=Nc1cccc(F)n1)c1ccc(C(=O)[O-])c(F)c1	ZINC000795006260	629722939	/nfs/dbraw/zinc/72/29/39/629722939.db2.gz	LGTZYVUJKIDPOY-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
C=CCCC(=O)COC(=O)c1cc([S-])ccc1F	ZINC000798723958	630235114	/nfs/dbraw/zinc/23/51/14/630235114.db2.gz	BZUGPZZGERFIBO-UHFFFAOYSA-N	-1	0	268.309	2.807	20	30		CFEDRM
COc1ccccc1CON=Cc1ccc(C(=O)[O-])cc1	ZINC000799118638	630277843	/nfs/dbraw/zinc/27/78/43/630277843.db2.gz	ODQLHMZOMGQUQG-UHFFFAOYSA-N	-1	0	285.299	2.944	20	30		CFEDRM
COc1cc(/C=C\C(=O)c2ccc(O)cc2[O-])ccc1C#N	ZINC000799497519	630315703	/nfs/dbraw/zinc/31/57/03/630315703.db2.gz	SXZRIBBMFZBZQZ-CLTKARDFSA-N	-1	0	295.294	2.874	20	30		CFEDRM
CC(=O)CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000800383932	630375972	/nfs/dbraw/zinc/37/59/72/630375972.db2.gz	IXMHKWSVJUKCFI-ZDUSSCGKSA-N	-1	0	296.326	2.737	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])C2=CCOCC2)s1	ZINC000802249820	630519241	/nfs/dbraw/zinc/51/92/41/630519241.db2.gz	GSVPCMUQXKIBBK-LLVKDONJSA-N	-1	0	290.388	2.964	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000803404631	630613442	/nfs/dbraw/zinc/61/34/42/630613442.db2.gz	STEAFFBVHXVGFY-UHFFFAOYSA-N	-1	0	298.346	2.700	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1cccc(C(=O)[O-])c1	ZINC000806558398	630810982	/nfs/dbraw/zinc/81/09/82/630810982.db2.gz	BFTXPQRNEACDKJ-VOTSOKGWSA-N	-1	0	270.288	2.621	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=CC(=O)c1cc[nH]c(=O)c1	ZINC000806555920	630811198	/nfs/dbraw/zinc/81/11/98/630811198.db2.gz	KHRNNDFHDBSZHX-ONEGZZNKSA-N	-1	0	297.310	2.998	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C1\C[C@@H](C(=O)[O-])c2ccccc2C1=O	ZINC000806562722	630812436	/nfs/dbraw/zinc/81/24/36/630812436.db2.gz	OFKAWUFRXCQVTR-XKOZXHHJSA-N	-1	0	296.326	2.865	20	30		CFEDRM
O=C([O-])[C@H]1C/C(=C\c2cccnc2)C(=O)c2ccccc21	ZINC000806559594	630812584	/nfs/dbraw/zinc/81/25/84/630812584.db2.gz	DEIPBUZOFFQNCN-JQVXPOPVSA-N	-1	0	279.295	2.920	20	30		CFEDRM
O=C1c2ccc([O-])c(F)c2C/C1=C/c1cncs1	ZINC000806575314	630814610	/nfs/dbraw/zinc/81/46/10/630814610.db2.gz	XJXYHCHXSDDOSW-CLTKARDFSA-N	-1	0	261.277	2.810	20	30		CFEDRM
C=CCC[C@H](C(=O)[N-]O[C@@H](CO)C(C)C)c1ccccc1	ZINC000836894573	630910703	/nfs/dbraw/zinc/91/07/03/630910703.db2.gz	FLMWVJHSCFNEAN-HOTGVXAUSA-N	-1	0	291.391	2.801	20	30		CFEDRM
CCO[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])[C@@H]1SC	ZINC000807957888	630926370	/nfs/dbraw/zinc/92/63/70/630926370.db2.gz	BSDJLDATKNXHSZ-OLZOCXBDSA-N	-1	0	294.376	2.693	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NNCC2CCCC2)c1	ZINC000808006702	630940309	/nfs/dbraw/zinc/94/03/09/630940309.db2.gz	YGWVHUYRLFPMRP-UHFFFAOYSA-N	-1	0	290.363	2.654	20	30		CFEDRM
C=CCO[N-]C(=O)CSCc1cccc(Cl)c1	ZINC000837043796	630943279	/nfs/dbraw/zinc/94/32/79/630943279.db2.gz	DYTMHPMMPUNRAK-UHFFFAOYSA-N	-1	0	271.769	2.807	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1Cl	ZINC000837043497	630943652	/nfs/dbraw/zinc/94/36/52/630943652.db2.gz	CVSKEGIIKNEMEL-JTQLQIEISA-N	-1	0	269.728	2.650	20	30		CFEDRM
N#CC1(COC(=O)c2c(O)cc(F)cc2F)CCC1	ZINC000837477238	631042503	/nfs/dbraw/zinc/04/25/03/631042503.db2.gz	SUVPIQADEYWHFX-UHFFFAOYSA-N	-1	0	267.231	2.521	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Cc3cc(O)ccc3C2=O)ccc1O	ZINC000809157643	631091822	/nfs/dbraw/zinc/09/18/22/631091822.db2.gz	RDQVUFWHKCXXQP-WZUFQYTHSA-N	-1	0	296.278	2.618	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1	ZINC000855607235	635596883	/nfs/dbraw/zinc/59/68/83/635596883.db2.gz	VDANSJXLIPSTNF-UHFFFAOYSA-N	-1	0	297.276	2.808	20	30		CFEDRM
C=CCC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837742434	631120870	/nfs/dbraw/zinc/12/08/70/631120870.db2.gz	ZEPUCRGRBUBOPP-UHFFFAOYSA-N	-1	0	279.292	2.946	20	30		CFEDRM
COCC1CCC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000840713968	631176144	/nfs/dbraw/zinc/17/61/44/631176144.db2.gz	WHCCQXBCNICIGC-SXGWCWSVSA-N	-1	0	292.335	2.925	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)c(C)c1	ZINC000042275630	649997385	/nfs/dbraw/zinc/99/73/85/649997385.db2.gz	QUGDVTJBVGTKLB-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
Cc1nnc(N=NC(C)[C@@H]2C[C@H]2c2cccs2)[n-]c1=O	ZINC000841610761	631430022	/nfs/dbraw/zinc/43/00/22/631430022.db2.gz	SCRJEPDIUURYIC-VHSXEESVSA-N	-1	0	289.364	2.539	20	30		CFEDRM
CCC(=NNc1cnnc([O-])c1Cl)[C@H]1C[C@H]1C	ZINC000841617120	631432694	/nfs/dbraw/zinc/43/26/94/631432694.db2.gz	VMFKSXAGGHPRPV-RQJHMYQMSA-N	-1	0	254.721	2.670	20	30		CFEDRM
C#CCCS(=O)(=O)[N-]C(=O)CCCCCCCCC	ZINC000810783528	631443824	/nfs/dbraw/zinc/44/38/24/631443824.db2.gz	UHIDYABNSBUKBB-UHFFFAOYSA-N	-1	0	287.425	2.596	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCC2)CC1	ZINC000810982287	631491131	/nfs/dbraw/zinc/49/11/31/631491131.db2.gz	MVXAJNSJTQWSND-LBPRGKRZSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2cc(C)c(C)s2)CC1	ZINC000810985458	631491283	/nfs/dbraw/zinc/49/12/83/631491283.db2.gz	MEZPMFLTUVCXJF-UHFFFAOYSA-N	-1	0	299.417	2.533	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])[C@@H](C)C(=O)OC(C)(C)C)n1	ZINC000842281093	631578120	/nfs/dbraw/zinc/57/81/20/631578120.db2.gz	JMKUDNFEPIKZMJ-NXEZZACHSA-N	-1	0	294.376	2.606	20	30		CFEDRM
CC(C)OCCON=Cc1cccc(Cl)c1[O-]	ZINC000812239009	631676879	/nfs/dbraw/zinc/67/68/79/631676879.db2.gz	KXICYGVOUJQMGJ-UHFFFAOYSA-N	-1	0	257.717	2.821	20	30		CFEDRM
N#CC(=C([O-])C=C[C@@H]1CCOC1)c1nc(C2CC2)cs1	ZINC000842942600	631788494	/nfs/dbraw/zinc/78/84/94/631788494.db2.gz	LKECGLYWILUQNA-IKRQDPHKSA-N	-1	0	288.372	2.789	20	30		CFEDRM
C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000843037406	631808737	/nfs/dbraw/zinc/80/87/37/631808737.db2.gz	WXFRIEUKMNTTTP-RISCZKNCSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@@H]1SCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000843265280	631913114	/nfs/dbraw/zinc/91/31/14/631913114.db2.gz	VVKGTLOEAWTMMF-UKDXTEQMSA-N	-1	0	266.322	2.613	20	30		CFEDRM
COCC1(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000843265361	631913310	/nfs/dbraw/zinc/91/33/10/631913310.db2.gz	FQVFPIIHIKWQAD-OQLLNIDSSA-N	-1	0	278.308	2.536	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1	ZINC000814016885	631995090	/nfs/dbraw/zinc/99/50/90/631995090.db2.gz	SRINYVOQXQMBDW-AWEZNQCLSA-N	-1	0	295.404	2.940	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@]1(c2ccccc2)CC1(C)C	ZINC000856028010	635703473	/nfs/dbraw/zinc/70/34/73/635703473.db2.gz	JQFOVTCWUCTUKG-MRXNPFEDSA-N	-1	0	259.349	2.978	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1CC(=O)[O-]	ZINC000814682009	632108154	/nfs/dbraw/zinc/10/81/54/632108154.db2.gz	FHIBWLIHKZWJLI-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1csnn1	ZINC000814689619	632109164	/nfs/dbraw/zinc/10/91/64/632109164.db2.gz	BKEKAOVCAVOIBK-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2cccc(C(F)(F)F)c2)C1	ZINC000814690154	632109840	/nfs/dbraw/zinc/10/98/40/632109840.db2.gz	WGMAMHHWVLYZQM-UHFFFAOYSA-N	-1	0	272.226	2.968	20	30		CFEDRM
C[C@H]1C(N=Nc2nncc3ccccc32)CC[C@H]1CC(=O)[O-]	ZINC000814706329	632110443	/nfs/dbraw/zinc/11/04/43/632110443.db2.gz	XUQAUULHPIPTAU-MNOVXSKESA-N	-1	0	298.346	2.919	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2nc3ccccc3[nH]2)c1	ZINC000814708582	632111817	/nfs/dbraw/zinc/11/18/17/632111817.db2.gz	JLDOLWPWRKLXMX-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
Cc1nnc(N=NC2CCCCC23CCCC3)[n-]c1=O	ZINC000814735017	632116362	/nfs/dbraw/zinc/11/63/62/632116362.db2.gz	NQAZKJOPQJLTSI-UHFFFAOYSA-N	-1	0	275.356	2.788	20	30		CFEDRM
CCCNC(=S)NN=C(C)CCCCCCC(=O)[O-]	ZINC000814761691	632119290	/nfs/dbraw/zinc/11/92/90/632119290.db2.gz	VQQNIJZNIMDHJH-UHFFFAOYSA-N	-1	0	287.429	2.662	20	30		CFEDRM
CON=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-]	ZINC000814795314	632125180	/nfs/dbraw/zinc/12/51/80/632125180.db2.gz	BSZZTYWQWYWTTI-UHFFFAOYSA-N	-1	0	261.277	2.739	20	30		CFEDRM
CC(N=Nc1ncccn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814797763	632126345	/nfs/dbraw/zinc/12/63/45/632126345.db2.gz	OWBFVPYOKNIKID-SNVBAGLBSA-N	-1	0	264.329	2.546	20	30		CFEDRM
CCCNN=C(C)CCc1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000814804301	632126936	/nfs/dbraw/zinc/12/69/36/632126936.db2.gz	JDUCHLSRKJMHLP-CYBMUJFWSA-N	-1	0	292.379	2.847	20	30		CFEDRM
C[C@@H]1C(=NNCc2cc(F)ccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814808714	632129850	/nfs/dbraw/zinc/12/98/50/632129850.db2.gz	GOOBSXZDTCVYHI-VHSXEESVSA-N	-1	0	296.317	2.931	20	30		CFEDRM
N#CCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000844205709	632134345	/nfs/dbraw/zinc/13/43/45/632134345.db2.gz	SBOAHKODNHEBGF-UHFFFAOYSA-N	-1	0	253.257	2.954	20	30		CFEDRM
CC(=NNC1CCCC1)c1csc(C(=O)[O-])c1	ZINC000814832389	632134560	/nfs/dbraw/zinc/13/45/60/632134560.db2.gz	DJDRZGKATJASLY-UHFFFAOYSA-N	-1	0	252.339	2.703	20	30		CFEDRM
C[C@H]1C(N=Nc2cnnc3ccccc23)CC[C@H]1CC(=O)[O-]	ZINC000814849479	632137941	/nfs/dbraw/zinc/13/79/41/632137941.db2.gz	XDTXFFHVXUHZRG-MNOVXSKESA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1cc(F)ccc1F	ZINC000814872249	632144063	/nfs/dbraw/zinc/14/40/63/632144063.db2.gz	IASCKBVFBTUOFG-UWVGGRQHSA-N	-1	0	296.317	2.931	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000814873374	632144733	/nfs/dbraw/zinc/14/47/33/632144733.db2.gz	YLSOGDGAQKBPAA-IUODEOHRSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C[C@@H]1C(N=NCCc2ccccc2F)CC[C@@H]1CC(=O)[O-]	ZINC000814875691	632144857	/nfs/dbraw/zinc/14/48/57/632144857.db2.gz	RZGRBYWEDHKRLA-WCQYABFASA-N	-1	0	292.354	2.835	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1	ZINC000814873375	632145228	/nfs/dbraw/zinc/14/52/28/632145228.db2.gz	YLSOGDGAQKBPAA-SWLSCSKDSA-N	-1	0	274.364	2.961	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CCCC(=O)[O-]	ZINC000844250327	632146653	/nfs/dbraw/zinc/14/66/53/632146653.db2.gz	TZPFQQIVHLODNB-UHFFFAOYSA-N	-1	0	267.350	2.518	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NO[C@H]1CCCCO1	ZINC000814888387	632150291	/nfs/dbraw/zinc/15/02/91/632150291.db2.gz	XRBKWONNRSTGNC-AWEZNQCLSA-N	-1	0	277.320	2.879	20	30		CFEDRM
CC(CC(F)(F)F)N=Nc1ccc(C(=O)[O-])cn1	ZINC000814889827	632150705	/nfs/dbraw/zinc/15/07/05/632150705.db2.gz	AYMMSNUNFPLEDE-UHFFFAOYSA-N	-1	0	261.203	2.520	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H](CO)CCF	ZINC000844271077	632150852	/nfs/dbraw/zinc/15/08/52/632150852.db2.gz	LUZXIJKVHZIZCA-DXLPTXHLSA-N	-1	0	280.126	2.838	20	30		CFEDRM
CC(C)(C#N)[C@H]1CCCC1N=Nc1ccc(C(=O)[O-])cn1	ZINC000814889880	632151169	/nfs/dbraw/zinc/15/11/69/632151169.db2.gz	CKDRNUVNIBGGRQ-NSHDSACASA-N	-1	0	286.335	2.898	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCCC(C)(C)C	ZINC000814901442	632155979	/nfs/dbraw/zinc/15/59/79/632155979.db2.gz	NKBMFIZYYKRJTR-GHMZBOCLSA-N	-1	0	254.374	2.889	20	30		CFEDRM
CC(CCc1ccc(O[C@H](C)C(=O)[O-])cc1)=NNC1CC1	ZINC000814902385	632156561	/nfs/dbraw/zinc/15/65/61/632156561.db2.gz	BBHRHXBPNOSKTC-GFCCVEGCSA-N	-1	0	290.363	2.599	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1cc(C(=O)[O-])cs1	ZINC000814902825	632156781	/nfs/dbraw/zinc/15/67/81/632156781.db2.gz	WNKBSVZTCNNGSA-UHFFFAOYSA-N	-1	0	279.296	2.817	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NOC1CCOCC1	ZINC000814906403	632158455	/nfs/dbraw/zinc/15/84/55/632158455.db2.gz	UAXZTDSZERHHHR-UHFFFAOYSA-N	-1	0	289.331	2.621	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ncncc1Cl	ZINC000814908757	632159662	/nfs/dbraw/zinc/15/96/62/632159662.db2.gz	BVQKNXSIMZTONB-UHFFFAOYSA-N	-1	0	282.731	2.563	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(SC)c1	ZINC000844299813	632160554	/nfs/dbraw/zinc/16/05/54/632160554.db2.gz	UZUUAUMSCBABBA-UHFFFAOYSA-N	-1	0	294.376	2.821	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H]1CCOC(C)(C)C1	ZINC000814910104	632160683	/nfs/dbraw/zinc/16/06/83/632160683.db2.gz	QQLOGZGUVUETSM-GFCCVEGCSA-N	-1	0	282.384	2.555	20	30		CFEDRM
CC(=NNc1ncccc1C)c1csc(C(=O)[O-])c1	ZINC000814911396	632160917	/nfs/dbraw/zinc/16/09/17/632160917.db2.gz	FROSVWKUOKPZBZ-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](CC(=O)[O-])[C@@H]1C	ZINC000814911533	632161615	/nfs/dbraw/zinc/16/16/15/632161615.db2.gz	MLJDVXVUKYMGES-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
C[C@@H]1C(=NOC[C@H]2CCOC2)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814912469	632161905	/nfs/dbraw/zinc/16/19/05/632161905.db2.gz	UEZFTENASZOJLL-GRYCIOLGSA-N	-1	0	283.368	2.552	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC000814916267	632163438	/nfs/dbraw/zinc/16/34/38/632163438.db2.gz	DSXPHEJIUSREFW-JQWIXIFHSA-N	-1	0	290.367	2.889	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOC1CCC1)CC2	ZINC000814936297	632173243	/nfs/dbraw/zinc/17/32/43/632173243.db2.gz	JKBWTBHUKJJPAQ-UHFFFAOYSA-N	-1	0	259.305	2.799	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1sc(-c2ccccc2)nc1C	ZINC000814959726	632179837	/nfs/dbraw/zinc/17/98/37/632179837.db2.gz	APCNRWVNSKBIFF-UHFFFAOYSA-N	-1	0	289.360	2.517	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@H](c2ccccc2)C1	ZINC000814959906	632179993	/nfs/dbraw/zinc/17/99/93/632179993.db2.gz	GSZWTNACEGIMNK-ZDUSSCGKSA-N	-1	0	260.337	2.765	20	30		CFEDRM
Cc1cc(C=NNCC(=O)[O-])c(C)n1C1CCCCC1	ZINC000814960534	632180558	/nfs/dbraw/zinc/18/05/58/632180558.db2.gz	ONACTEQSMJXEOJ-UHFFFAOYSA-N	-1	0	277.368	2.618	20	30		CFEDRM
C=C(C)CON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000844619102	632264874	/nfs/dbraw/zinc/26/48/74/632264874.db2.gz	AXVUYYOSYBSTDU-UHFFFAOYSA-N	-1	0	259.305	2.822	20	30		CFEDRM
C=C[C@@H](C)ON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000844620430	632265367	/nfs/dbraw/zinc/26/53/67/632265367.db2.gz	KUCGDWMRJGXPOZ-ZRKZCGFPSA-N	-1	0	259.305	2.750	20	30		CFEDRM
CCSCCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844622477	632266037	/nfs/dbraw/zinc/26/60/37/632266037.db2.gz	DCGRBLAWMZDNHP-UHFFFAOYSA-N	-1	0	252.339	2.844	20	30		CFEDRM
COC(C)(C)CCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844623476	632267026	/nfs/dbraw/zinc/26/70/26/632267026.db2.gz	NYBMOTQOCCAWSG-UHFFFAOYSA-N	-1	0	264.325	2.906	20	30		CFEDRM
Cc1c(N=NCC[C@@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844622716	632267102	/nfs/dbraw/zinc/26/71/02/632267102.db2.gz	CAYURZOLGRMVHZ-LLVKDONJSA-N	-1	0	262.309	2.518	20	30		CFEDRM
CCOCC(C)N=Nc1cccc(C(=O)[O-])c1C	ZINC000844623948	632267538	/nfs/dbraw/zinc/26/75/38/632267538.db2.gz	OIZCSUQXXQMLAC-UHFFFAOYSA-N	-1	0	250.298	2.518	20	30		CFEDRM
Cc1c(NN=Cc2cnc(C3CC3)nc2)cccc1C(=O)[O-]	ZINC000844623672	632267603	/nfs/dbraw/zinc/26/76/03/632267603.db2.gz	PWCCXOFSCIBOBL-UHFFFAOYSA-N	-1	0	296.330	2.807	20	30		CFEDRM
COC(=O)C(C)(C)CCN=Nc1cccc(C(=O)[O-])c1C	ZINC000844623730	632267621	/nfs/dbraw/zinc/26/76/21/632267621.db2.gz	RAPOHQATCZJNIF-UHFFFAOYSA-N	-1	0	292.335	2.680	20	30		CFEDRM
Cc1c(N=NC(C)[C@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844623803	632267687	/nfs/dbraw/zinc/26/76/87/632267687.db2.gz	MCQDRUZQKQDOAQ-NSHDSACASA-N	-1	0	262.309	2.518	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cn(C)nc1C	ZINC000844624945	632267735	/nfs/dbraw/zinc/26/77/35/632267735.db2.gz	UDEFRYXVKGHFCY-UHFFFAOYSA-N	-1	0	286.335	2.571	20	30		CFEDRM
Cc1c(N=NC2CCOC[C@@H]2C)cccc1C(=O)[O-]	ZINC000844624065	632267796	/nfs/dbraw/zinc/26/77/96/632267796.db2.gz	UGYOAAUISPARKD-VIFPVBQESA-N	-1	0	262.309	2.518	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cc(C)n(C)n1	ZINC000844624047	632267939	/nfs/dbraw/zinc/26/79/39/632267939.db2.gz	SVKZEZRVKDPIGA-UHFFFAOYSA-N	-1	0	286.335	2.571	20	30		CFEDRM
Cc1c(N=NC(C)C2CCOCC2)cccc1C(=O)[O-]	ZINC000844625268	632268464	/nfs/dbraw/zinc/26/84/64/632268464.db2.gz	XXKCHGOIAXLMLJ-UHFFFAOYSA-N	-1	0	276.336	2.908	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccccc1F	ZINC000844780305	632305727	/nfs/dbraw/zinc/30/57/27/632305727.db2.gz	NVFUNFBWLNDOKK-UHFFFAOYSA-N	-1	0	259.227	2.541	20	30		CFEDRM
C=CCC(F)(F)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000815971171	632343463	/nfs/dbraw/zinc/34/34/63/632343463.db2.gz	WCSDJTXKZSMYRK-UHFFFAOYSA-N	-1	0	269.247	2.745	20	30		CFEDRM
CC[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000817706839	632688160	/nfs/dbraw/zinc/68/81/60/632688160.db2.gz	FETUPMOELTXQNZ-RLYUOEPHSA-N	-1	0	278.308	2.677	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccc(OC)cc1	ZINC000846536413	632725543	/nfs/dbraw/zinc/72/55/43/632725543.db2.gz	KLEALQGXMYAFFS-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H]1CCCc2sccc21	ZINC000846536597	632725765	/nfs/dbraw/zinc/72/57/65/632725765.db2.gz	RTYPWAGJFGWNSH-LLVKDONJSA-N	-1	0	251.351	2.792	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](SC)c1ccccc1	ZINC000846536875	632726741	/nfs/dbraw/zinc/72/67/41/632726741.db2.gz	DJXRFOXYUZHISV-GFCCVEGCSA-N	-1	0	251.351	2.715	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(C)cc1	ZINC000846540099	632728703	/nfs/dbraw/zinc/72/87/03/632728703.db2.gz	MJAOFOVOAVFTIS-UHFFFAOYSA-N	-1	0	251.351	2.711	20	30		CFEDRM
C=C(C)CO[N-]C(=O)CSc1ccc(F)cc1	ZINC000846541421	632729427	/nfs/dbraw/zinc/72/94/27/632729427.db2.gz	WOWYALZLYQXJSH-UHFFFAOYSA-N	-1	0	255.314	2.542	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccccc1C(C)C	ZINC000846540574	632729447	/nfs/dbraw/zinc/72/94/47/632729447.db2.gz	BEOZKZLSSRUSJD-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000846540902	632729518	/nfs/dbraw/zinc/72/95/18/632729518.db2.gz	BKEIYPVPGOLULT-LBPRGKRZSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(F)cc1Cl	ZINC000846543984	632731607	/nfs/dbraw/zinc/73/16/07/632731607.db2.gz	DJYCYQRTJMBFDG-BDAKNGLRSA-N	-1	0	287.718	2.869	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000846543233	632732198	/nfs/dbraw/zinc/73/21/98/632732198.db2.gz	MRMRKLGHVYZKMG-MWLCHTKSSA-N	-1	0	281.739	2.513	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2cccc(F)c2)CCC1	ZINC000846544936	632732862	/nfs/dbraw/zinc/73/28/62/632732862.db2.gz	SGWMSPDJAJAFTQ-NSHDSACASA-N	-1	0	263.312	2.870	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000846545365	632733715	/nfs/dbraw/zinc/73/37/15/632733715.db2.gz	VZMQCTQRTHPSHF-JTQLQIEISA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc2c(c1)CCCC2	ZINC000846549369	632737785	/nfs/dbraw/zinc/73/77/85/632737785.db2.gz	QYNGCOMRYGVEBT-LBPRGKRZSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(OC)cc1	ZINC000846550092	632738691	/nfs/dbraw/zinc/73/86/91/632738691.db2.gz	UWKKCDFMVXSAHD-LLVKDONJSA-N	-1	0	263.337	2.595	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CO[C@H]1CCCc2ccccc21	ZINC000846553146	632740563	/nfs/dbraw/zinc/74/05/63/632740563.db2.gz	YIQAXKMGAYINJP-WFASDCNBSA-N	-1	0	275.348	2.703	20	30		CFEDRM
C=CCCCC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000846710896	632778981	/nfs/dbraw/zinc/77/89/81/632778981.db2.gz	GRYPAKXSJBGLIU-INIZCTEOSA-N	-1	0	275.348	2.501	20	30		CFEDRM
CC(=O)c1ccc(C#N)cc1NC[C@H](CC(C)C)C(=O)[O-]	ZINC000818618026	632881205	/nfs/dbraw/zinc/88/12/05/632881205.db2.gz	IKHKWHDPWCWAAT-ZDUSSCGKSA-N	-1	0	288.347	2.920	20	30		CFEDRM
C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000818992132	632925234	/nfs/dbraw/zinc/92/52/34/632925234.db2.gz	MWWNDUKHRWGTDG-SPVAGPGUSA-N	-1	0	262.187	2.670	20	30		CFEDRM
C=C(C)CONC(=O)CCCc1ccc(F)cc1	ZINC000848245900	633223943	/nfs/dbraw/zinc/22/39/43/633223943.db2.gz	RBIDVUXXZDEXHN-UHFFFAOYSA-N	-1	0	251.301	2.772	20	30		CFEDRM
N#Cc1ccc(C2([N-]C(=O)C(F)(F)F)CCC2)cc1	ZINC000848318408	633239739	/nfs/dbraw/zinc/23/97/39/633239739.db2.gz	HOTUOMGYCGJCHB-UHFFFAOYSA-N	-1	0	268.238	2.616	20	30		CFEDRM
CO[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C12CCC2	ZINC000848413977	633252420	/nfs/dbraw/zinc/25/24/20/633252420.db2.gz	GTZAGAPIFPDDPL-AWEZNQCLSA-N	-1	0	288.347	2.671	20	30		CFEDRM
C[C@@]1(CN=Nc2ccc(CC(=O)[O-])cc2)CCCS1	ZINC000848413975	633252775	/nfs/dbraw/zinc/25/27/75/633252775.db2.gz	GQDMERNIDJMUSG-AWEZNQCLSA-N	-1	0	278.377	2.997	20	30		CFEDRM
O=C([O-])Cc1ccc(NNC=CC(F)(F)F)cc1	ZINC000848414362	633253206	/nfs/dbraw/zinc/25/32/06/633253206.db2.gz	NBAALVYZIZTNEH-UHFFFAOYSA-N	-1	0	260.215	2.664	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccc(F)c(F)c2)CC[C@H]1C(=O)[O-]	ZINC000848415201	633253242	/nfs/dbraw/zinc/25/32/42/633253242.db2.gz	IZGIQYSZXTUGAE-JOYOIKCWSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2cccc(C(F)F)c2C#N)C1	ZINC000852909033	634858676	/nfs/dbraw/zinc/85/86/76/634858676.db2.gz	OBQMFHHTWFYNAT-AWEZNQCLSA-N	-1	0	280.274	2.797	20	30		CFEDRM
CC(C)(C)OCCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849172070	633579556	/nfs/dbraw/zinc/57/95/56/633579556.db2.gz	LOKSLRUNGNDAFR-XNTDXEJSSA-N	-1	0	280.324	2.925	20	30		CFEDRM
O=C(/C=C/c1cn(C2CCC2)nn1)c1cc(F)ccc1[O-]	ZINC000849245750	633589145	/nfs/dbraw/zinc/58/91/45/633589145.db2.gz	CAZIOMJQDKCAFA-FNORWQNLSA-N	-1	0	287.294	2.744	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(F)s1	ZINC000850758193	634081775	/nfs/dbraw/zinc/08/17/75/634081775.db2.gz	ZRNJPTWJEOQRQY-SNVBAGLBSA-N	-1	0	294.351	2.659	20	30		CFEDRM
CC(C)c1cccc(C([O-])=C(C#N)C(=O)c2nccn2C)c1	ZINC000850899667	634128794	/nfs/dbraw/zinc/12/87/94/634128794.db2.gz	TWXGNTHEUMAVID-AWEZNQCLSA-N	-1	0	295.342	2.749	20	30		CFEDRM
CO[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1	ZINC000852997992	634870572	/nfs/dbraw/zinc/87/05/72/634870572.db2.gz	GKQMWSNJMVIXIY-INQNZLQJSA-N	-1	0	292.335	2.925	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCC2SCCS2)c1	ZINC000852998834	634871441	/nfs/dbraw/zinc/87/14/41/634871441.db2.gz	RYASHZNZPUNQMW-JYRVWZFOSA-N	-1	0	298.389	2.916	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(Cl)c(C(=O)[O-])c1)C1CC1	ZINC000853258009	634953166	/nfs/dbraw/zinc/95/31/66/634953166.db2.gz	HTKBXTUUNPPYNF-GFCCVEGCSA-N	-1	0	282.727	2.861	20	30		CFEDRM
Cn1ncc(C2CCC2)c1C=NNc1cccc(C(=O)[O-])c1	ZINC000853258670	634953989	/nfs/dbraw/zinc/95/39/89/634953989.db2.gz	YHEAKRVAJTWHTR-UHFFFAOYSA-N	-1	0	298.346	2.832	20	30		CFEDRM
CCC(CC)CNN=Cc1ccc(C(=O)[O-])c(F)c1	ZINC000853334896	634973493	/nfs/dbraw/zinc/97/34/93/634973493.db2.gz	FBALOXLEIPTFHI-UHFFFAOYSA-N	-1	0	266.316	2.884	20	30		CFEDRM
C#CC1CCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000853370138	634985198	/nfs/dbraw/zinc/98/51/98/634985198.db2.gz	DQXXGBFSUBHCEE-UHFFFAOYSA-N	-1	0	270.332	2.905	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cc(C(=O)[O-])cs1	ZINC000853378807	634986819	/nfs/dbraw/zinc/98/68/19/634986819.db2.gz	CVFGRSBDWRMMEP-VIFPVBQESA-N	-1	0	252.339	2.655	20	30		CFEDRM
C[C@@H]1C(=NN2CCCC[C@@H]2C)CC[C@H]1CC(=O)[O-]	ZINC000853382228	634988924	/nfs/dbraw/zinc/98/89/24/634988924.db2.gz	VXIYNFZKHBTQOT-SRVKXCTJSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C=CCCCCCCCCNC(=O)c1cc(=O)n(C)[n-]1	ZINC000854475425	635312532	/nfs/dbraw/zinc/31/25/32/635312532.db2.gz	UFOUUCAQHCMCDV-UHFFFAOYSA-N	-1	0	279.384	2.772	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2cccs2)CCCCC1	ZINC000855602897	635596348	/nfs/dbraw/zinc/59/63/48/635596348.db2.gz	FLABUOMMVAWKLO-UHFFFAOYSA-N	-1	0	263.362	2.631	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(Cl)cc1C	ZINC000856028614	635704039	/nfs/dbraw/zinc/70/40/39/635704039.db2.gz	YKBAPZWGZGPUGF-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2ccccc2C)CCOCC1	ZINC000856030948	635706316	/nfs/dbraw/zinc/70/63/16/635706316.db2.gz	YASXFNBXHRWWNH-UHFFFAOYSA-N	-1	0	289.375	2.667	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000856034081	635709215	/nfs/dbraw/zinc/70/92/15/635709215.db2.gz	GBLFUCKJVVBEOM-LLVKDONJSA-N	-1	0	290.146	2.651	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)COCc1ccccc1	ZINC000856034159	635709357	/nfs/dbraw/zinc/70/93/57/635709357.db2.gz	AWDVWQCEFPVJMN-UHFFFAOYSA-N	-1	0	277.364	2.853	20	30		CFEDRM
C=CCCO[N-]C(=O)CN(CC)Cc1ccccc1Cl	ZINC000856035132	635709892	/nfs/dbraw/zinc/70/98/92/635709892.db2.gz	VPHSMPYWOYQJGZ-UHFFFAOYSA-N	-1	0	296.798	2.786	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2ccc(O)cc2)c1	ZINC000200433552	636347886	/nfs/dbraw/zinc/34/78/86/636347886.db2.gz	JMAZIJYBOSJVNT-WTKPLQERSA-N	-1	0	268.268	2.987	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000048422336	650265442	/nfs/dbraw/zinc/26/54/42/650265442.db2.gz	AIUSLFDRIOMZCL-SNVBAGLBSA-N	-1	0	255.339	2.686	20	30		CFEDRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048588705	650272297	/nfs/dbraw/zinc/27/22/97/650272297.db2.gz	VQMBRBZAUOYXKL-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cocc1C	ZINC000860464526	636891587	/nfs/dbraw/zinc/89/15/87/636891587.db2.gz	UCEHQBLTJGAXNM-GFCCVEGCSA-N	-1	0	276.336	2.607	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)OCc1ccccc1C	ZINC000862132477	637278476	/nfs/dbraw/zinc/27/84/76/637278476.db2.gz	GNPURZBRMPORHC-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)OCc1ccccc1C	ZINC000862217866	637289215	/nfs/dbraw/zinc/28/92/15/637289215.db2.gz	VTQYPUYHVRHJKM-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000862561362	637428606	/nfs/dbraw/zinc/42/86/06/637428606.db2.gz	KFTMXNOAQOJMMZ-JTQLQIEISA-N	-1	0	263.724	2.531	20	30		CFEDRM
Cc1cnccc1N=NC(C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000863158241	637571615	/nfs/dbraw/zinc/57/16/15/637571615.db2.gz	SHFUSNSEHOHRHP-OLZOCXBDSA-N	-1	0	289.379	2.737	20	30		CFEDRM
Cc1cc(N=NC(C)[C@H](C)CCCCC(=O)[O-])ccn1	ZINC000863159052	637572778	/nfs/dbraw/zinc/57/27/78/637572778.db2.gz	ANZURNDVMRNWDC-LLVKDONJSA-N	-1	0	277.368	2.881	20	30		CFEDRM
CC(C)(C)C#CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1	ZINC000863477586	637672464	/nfs/dbraw/zinc/67/24/64/637672464.db2.gz	QBHCANYQFYDDIQ-UHFFFAOYSA-N	-1	0	283.331	2.566	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C	ZINC000864135474	637889871	/nfs/dbraw/zinc/88/98/71/637889871.db2.gz	NCXGSTFHJVLAJI-CABCVRRESA-N	-1	0	287.359	2.525	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864143177	637891652	/nfs/dbraw/zinc/89/16/52/637891652.db2.gz	DUCCXJXASAAZQR-HIJJYWJESA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)/C=C\c1cc(C(=O)[O-])co1	ZINC000864156017	637894612	/nfs/dbraw/zinc/89/46/12/637894612.db2.gz	QUACOBYSYPGNJQ-SREVYHEPSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C1	ZINC000864155100	637894648	/nfs/dbraw/zinc/89/46/48/637894648.db2.gz	HCPCWKNGKAQNBI-ZDUSSCGKSA-N	-1	0	285.343	2.569	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864179425	637904600	/nfs/dbraw/zinc/90/46/00/637904600.db2.gz	VFANKBQEFDANSJ-DVBBHNHCSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C1CCCCCC1)C(=O)[O-]	ZINC000864182807	637906503	/nfs/dbraw/zinc/90/65/03/637906503.db2.gz	DUOIOKZOMJMLLL-LLVKDONJSA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000864182625	637906863	/nfs/dbraw/zinc/90/68/63/637906863.db2.gz	BQCFMLAYKBLBNN-GUOLPTJISA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](CC)CCCC)C(=O)[O-]	ZINC000864184927	637907668	/nfs/dbraw/zinc/90/76/68/637907668.db2.gz	ZGUFKKPYNUCNNA-MNOVXSKESA-N	-1	0	275.776	2.915	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)[O-]	ZINC000864184853	637907742	/nfs/dbraw/zinc/90/77/42/637907742.db2.gz	YFTBKKAHOFAODH-LBPRGKRZSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(\C)c1cccc(F)c1)C(=O)[O-]	ZINC000864186960	637908013	/nfs/dbraw/zinc/90/80/13/637908013.db2.gz	AVZZJWIYHPYHIR-BMGYJQCNSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000864188911	637909458	/nfs/dbraw/zinc/90/94/58/637909458.db2.gz	XNMOYVZKDWQVMQ-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)[O-]	ZINC000864187692	637909589	/nfs/dbraw/zinc/90/95/89/637909589.db2.gz	CCOQQMAYHZPUDV-AXFHLTTASA-N	-1	0	299.779	2.564	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1	ZINC000864227959	637918042	/nfs/dbraw/zinc/91/80/42/637918042.db2.gz	JJXCVDXSLCMMBX-ZDUSSCGKSA-N	-1	0	261.321	2.593	20	30		CFEDRM
C=CCCN(OCc1ccccc1)C(=O)c1ncccc1[O-]	ZINC000189913142	650401146	/nfs/dbraw/zinc/40/11/46/650401146.db2.gz	WLXVDWBUSDISLL-UHFFFAOYSA-N	-1	0	298.342	2.937	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)CC1CCC1	ZINC000076756470	650401330	/nfs/dbraw/zinc/40/13/30/650401330.db2.gz	KYRLOKRQNAOEDB-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C	ZINC000077882315	650458810	/nfs/dbraw/zinc/45/88/10/650458810.db2.gz	VERWIGKMSRCGCC-JFGNBEQYSA-N	-1	0	267.350	2.690	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)o2)cc1	ZINC000077942040	650464861	/nfs/dbraw/zinc/46/48/61/650464861.db2.gz	JKPYWBVHKZJHEC-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
CCOCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000077941778	650465043	/nfs/dbraw/zinc/46/50/43/650465043.db2.gz	AZARJHHKTFGTGX-UHFFFAOYSA-N	-1	0	293.344	2.522	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCc1ccc(C(C)C)cc1	ZINC000191255449	650486011	/nfs/dbraw/zinc/48/60/11/650486011.db2.gz	VFKNDEANCULAIW-UHFFFAOYSA-N	-1	0	289.375	2.842	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C)(C)CC1	ZINC000123116056	639621891	/nfs/dbraw/zinc/62/18/91/639621891.db2.gz	IWSUQYDHWLXQGU-LBPRGKRZSA-N	-1	0	287.363	2.528	20	30		CFEDRM
CC[C@H](CC(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690838	639773648	/nfs/dbraw/zinc/77/36/48/639773648.db2.gz	VFMOPAMKBVXMCG-SNVBAGLBSA-N	-1	0	286.253	2.947	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)cc(C)c1	ZINC000193368636	650647514	/nfs/dbraw/zinc/64/75/14/650647514.db2.gz	PUJAIXMESXUYEU-OAHLLOKOSA-N	-1	0	286.375	2.932	20	30		CFEDRM
Cc1[n-]n([C@H]2CCOC3(CCCC3)C2)c(=O)c1CCC#N	ZINC000871964014	641534630	/nfs/dbraw/zinc/53/46/30/641534630.db2.gz	NXQJNKNARJJRRU-KBPBESRZSA-N	-1	0	289.379	2.616	20	30		CFEDRM
Cc1cc(C)c(CC=CN=Nc2nnc(C)c(=O)[n-]2)cc1C	ZINC000872331946	641758483	/nfs/dbraw/zinc/75/84/83/641758483.db2.gz	ZWYDSKPIXUBHTC-YWKAUNPBSA-N	-1	0	297.362	2.922	20	30		CFEDRM
C=CCC1(C=NNc2cnnc([O-])c2Cl)CCOCC1	ZINC000872339159	641759069	/nfs/dbraw/zinc/75/90/69/641759069.db2.gz	ASCKYHKPXBMOHP-UHFFFAOYSA-N	-1	0	296.758	2.606	20	30		CFEDRM
CC[C@@H](NN=Cc1ccccc1CC(F)(F)F)C(=O)[O-]	ZINC000872376896	641780478	/nfs/dbraw/zinc/78/04/78/641780478.db2.gz	VAPAENAUXXEXSO-LLVKDONJSA-N	-1	0	288.269	2.578	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc2c(ccnc2Cl)o1)C(=O)[O-]	ZINC000872376922	641780757	/nfs/dbraw/zinc/78/07/57/641780757.db2.gz	VOTNGNNKTBCNRF-VIFPVBQESA-N	-1	0	295.726	2.658	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(CC(F)(F)F)cc1)C(=O)[O-]	ZINC000872376459	641780810	/nfs/dbraw/zinc/78/08/10/641780810.db2.gz	LMPFCRHJKVERNG-LLVKDONJSA-N	-1	0	288.269	2.578	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNC[C@@H]2CCCC2(F)F)cc1[O-]	ZINC000872408115	641796901	/nfs/dbraw/zinc/79/69/01/641796901.db2.gz	MSLWRTYWDFVSHE-JTQLQIEISA-N	-1	0	299.277	2.659	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000872752915	641921419	/nfs/dbraw/zinc/92/14/19/641921419.db2.gz	QFOIWULOHPFKMZ-OLZOCXBDSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#CC[C@H]1CCCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000872981845	641975829	/nfs/dbraw/zinc/97/58/29/641975829.db2.gz	NLVIROOYLDRUAZ-ZDUSSCGKSA-N	-1	0	279.380	2.529	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N[C@H]2C[C@H](C(=O)[O-])C2)n1	ZINC000873076244	642006454	/nfs/dbraw/zinc/00/64/54/642006454.db2.gz	CSPIWTZEMAHDAD-XYPYZODXSA-N	-1	0	273.336	2.526	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)NCc1ccccc1C(=O)[O-]	ZINC000874413614	642381602	/nfs/dbraw/zinc/38/16/02/642381602.db2.gz	NYOUEMFHBVBXIB-ZDUSSCGKSA-N	-1	0	288.347	2.635	20	30		CFEDRM
C#CCOc1ccc(-c2cccc(C(=O)[O-])c2)cc1C=O	ZINC000874969533	642566489	/nfs/dbraw/zinc/56/64/89/642566489.db2.gz	CKZDFXOWXKAWNN-UHFFFAOYSA-N	-1	0	280.279	2.876	20	30		CFEDRM
Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c(C#N)c1	ZINC000874969632	642566923	/nfs/dbraw/zinc/56/69/23/642566923.db2.gz	QEYCOILCSYPHQO-UHFFFAOYSA-N	-1	0	295.294	2.810	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)nn1	ZINC000876498185	642893473	/nfs/dbraw/zinc/89/34/73/642893473.db2.gz	QZKVTTUSXUYWEL-BQYQJAHWSA-N	-1	0	299.330	2.627	20	30		CFEDRM
O=C(C=Cc1ccccc1)[N-]S(=O)(=O)C1CCCC1	ZINC000086054803	650794626	/nfs/dbraw/zinc/79/46/26/650794626.db2.gz	XXYZSUWUEWIVOH-ZHACJKMWSA-N	-1	0	279.361	2.929	20	30		CFEDRM
CCCCCCOCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055674	650795466	/nfs/dbraw/zinc/79/54/66/650795466.db2.gz	YDYKIUPLVKENOG-UHFFFAOYSA-N	-1	0	291.413	2.812	20	30		CFEDRM
CC[C@H](CNc1nc2ccccc2cc1C#N)C(=O)[O-]	ZINC000087510982	650803993	/nfs/dbraw/zinc/80/39/93/650803993.db2.gz	IUPCOEMUTMWZRP-SNVBAGLBSA-N	-1	0	269.304	2.629	20	30		CFEDRM
CCCCCCCC(=O)N(CC(=O)[O-])CC(C)C	ZINC000088211677	650809289	/nfs/dbraw/zinc/80/92/89/650809289.db2.gz	LKICNMMGMXTNOT-UHFFFAOYSA-N	-1	0	257.374	2.916	20	30		CFEDRM
CCCS(=O)(=O)[N-]C(=O)c1cccc(-c2ccoc2)c1	ZINC000089971960	650861204	/nfs/dbraw/zinc/86/12/04/650861204.db2.gz	QUDDPZGVKIUGLK-UHFFFAOYSA-N	-1	0	293.344	2.991	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cccc(SC)c1	ZINC000092465690	650920583	/nfs/dbraw/zinc/92/05/83/650920583.db2.gz	OIQJNHKLLUVEID-UHFFFAOYSA-N	-1	0	280.349	2.513	20	30		CFEDRM
CC(C)[C@H](O)CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000882984132	645542234	/nfs/dbraw/zinc/54/22/34/645542234.db2.gz	XPJJUDGUXUYNFY-CYBMUJFWSA-N	-1	0	293.411	2.749	20	30		CFEDRM
CN1CCc2cc(/C=C/C(=O)c3ccc(O)cc3[O-])ccc21	ZINC000130978925	645603787	/nfs/dbraw/zinc/60/37/87/645603787.db2.gz	LKNXVYOUZYGJFX-XVNBXDOJSA-N	-1	0	295.338	2.986	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc3ccccc3o2)C(=O)O1	ZINC000131079049	645620229	/nfs/dbraw/zinc/62/02/29/645620229.db2.gz	VTQVIEZHDGWZBZ-FYCOFBDGSA-N	-1	0	296.278	2.661	20	30		CFEDRM
C[C@@]1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1	ZINC000132417580	645915362	/nfs/dbraw/zinc/91/53/62/645915362.db2.gz	RLZVRSJPCJOKRM-FEZXJWFHSA-N	-1	0	298.726	2.942	20	30		CFEDRM
C#CCC1(NC(=O)c2ccc(C#N)c(O)c2)CCCCC1	ZINC000886655780	647091267	/nfs/dbraw/zinc/09/12/67/647091267.db2.gz	FLJLGWNGKOYOOP-UHFFFAOYSA-N	-1	0	282.343	2.720	20	30		CFEDRM
N#Cc1ccc(-n2[n-]c3c(c2=O)CCCCCC3)nc1	ZINC000887295174	647262741	/nfs/dbraw/zinc/26/27/41/647262741.db2.gz	ZGBQOLVRZYYEQG-LBPRGKRZSA-N	-1	0	268.320	2.626	20	30		CFEDRM
O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(O)cc1	ZINC000035609903	649244527	/nfs/dbraw/zinc/24/45/27/649244527.db2.gz	WWTMZZWMIIXAFL-LREOWRDNSA-N	-1	0	285.255	2.902	20	30		CFEDRM
CCCCCCC(C)N=Nc1nnc(C)c(=O)[n-]1	ZINC000254403696	651088426	/nfs/dbraw/zinc/08/84/26/651088426.db2.gz	DVZKYKWXMDCTHO-UHFFFAOYSA-N	-1	0	251.334	2.644	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2[nH]c3ccccc3[nH]2)c1	ZINC000254833540	651096489	/nfs/dbraw/zinc/09/64/89/651096489.db2.gz	INTFNAOTAHTHOX-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2ccc3c(c2)OCCO3)cc1	ZINC000254837682	651096545	/nfs/dbraw/zinc/09/65/45/651096545.db2.gz	LNTBBIDMQSIVJG-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
N#Cc1c(F)cncc1-c1cc(F)cc(F)c1[O-]	ZINC001243504746	782240277	/nfs/dbraw/zinc/24/02/77/782240277.db2.gz	PIPFRDYQFNWDIN-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])c(F)c1F	ZINC001243511771	782247091	/nfs/dbraw/zinc/24/70/91/782247091.db2.gz	IIQYCVIEJKIYPB-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
C=CCC[C@@H](CC)OCCCC[P@@](=O)([O-])O	ZINC001225019025	778815392	/nfs/dbraw/zinc/81/53/92/778815392.db2.gz	PCPPNQHXYXZWHR-LLVKDONJSA-N	-1	0	250.275	2.706	20	30		CFEDRM
Cc1cnc(C#N)c(Nc2cc(F)cc(C(=O)[O-])c2)c1	ZINC001209884672	770154312	/nfs/dbraw/zinc/15/43/12/770154312.db2.gz	ACJGENLATYVDIF-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
C#Cc1ccc(Nc2nc[n-]c(=O)c2Br)cc1	ZINC001210116259	770212443	/nfs/dbraw/zinc/21/24/43/770212443.db2.gz	KFWXRPPQTGYFDS-UHFFFAOYSA-N	-1	0	290.120	2.670	20	30		CFEDRM
Cc1c(C/N=C\c2cc(Cl)ccc2O)cnn1C	ZINC000255194211	770396633	/nfs/dbraw/zinc/39/66/33/770396633.db2.gz	DPJPGGJXBGQKSG-UUASQNMZSA-N	-1	0	263.728	2.707	20	30		CFEDRM
N#Cc1ccc(Nc2ccccc2C(=O)[O-])c(O)c1	ZINC001210968476	770406959	/nfs/dbraw/zinc/40/69/59/770406959.db2.gz	IEOJIGIAWMVYCL-UHFFFAOYSA-N	-1	0	254.245	2.706	20	30		CFEDRM
N#Cc1ccc(N[C@H]2C[C@@H](C(=O)[O-])C2)cc1C(F)(F)F	ZINC000693442955	770635674	/nfs/dbraw/zinc/63/56/74/770635674.db2.gz	BGUAZMYKBKFLLI-WAAGHKOSSA-N	-1	0	284.237	2.852	20	30		CFEDRM
COc1cc(Nc2ccc(N)cc2C#N)cc(C(=O)[O-])c1	ZINC001213596733	770773044	/nfs/dbraw/zinc/77/30/44/770773044.db2.gz	IDWXDYATNNFKFV-UHFFFAOYSA-N	-1	0	283.287	2.591	20	30		CFEDRM
CNC(=O)c1ccc(C=CC(=O)c2sccc2[O-])cc1	ZINC000588495754	770863576	/nfs/dbraw/zinc/86/35/76/770863576.db2.gz	MUXDPLULMCNHCR-DAXSKMNVSA-N	-1	0	287.340	2.709	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1	ZINC000724456742	770888857	/nfs/dbraw/zinc/88/88/57/770888857.db2.gz	LFNHZHGLRDEEOT-ZIAGYGMSSA-N	-1	0	277.364	2.516	20	30		CFEDRM
N#Cc1ccccc1CNc1ncc(Cl)cc1C(=O)[O-]	ZINC001167635235	773203779	/nfs/dbraw/zinc/20/37/79/773203779.db2.gz	MYRXJVKGRCIDDK-UHFFFAOYSA-N	-1	0	287.706	2.917	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)o1	ZINC000125677820	773251266	/nfs/dbraw/zinc/25/12/66/773251266.db2.gz	DUDAORRNVCEHOH-LBPRGKRZSA-N	-1	0	276.336	2.607	20	30		CFEDRM
CCCN(C)c1ccc(C(=O)[N-]S(=O)(=O)CCC)cc1	ZINC000091696812	775123321	/nfs/dbraw/zinc/12/33/21/775123321.db2.gz	DHODPBAEQJHYST-UHFFFAOYSA-N	-1	0	298.408	2.577	20	30		CFEDRM
C=CCCCCCC[C@@H](C)OCCS(=O)(=O)[O-]	ZINC001224570943	775221265	/nfs/dbraw/zinc/22/12/65/775221265.db2.gz	GEHACSJLGPFZDV-GFCCVEGCSA-N	-1	0	264.387	2.806	20	30		CFEDRM
CCCCCCCCCCOC(=O)[C@@H](O)CC(=O)[O-]	ZINC001224580891	775223783	/nfs/dbraw/zinc/22/37/83/775223783.db2.gz	FTZLXYYOBKSMSV-LBPRGKRZSA-N	-1	0	274.357	2.506	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cccnc1C#N	ZINC001211616252	775251110	/nfs/dbraw/zinc/25/11/10/775251110.db2.gz	DPZJKLGYEWRQNK-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)cs2)C(=O)O1	ZINC000588601286	775268900	/nfs/dbraw/zinc/26/89/00/775268900.db2.gz	HINUXYOBBWKSNM-DLGQBQFBSA-N	-1	0	296.731	2.630	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1ccc(N)cc1C#N	ZINC001211626699	775320439	/nfs/dbraw/zinc/32/04/39/775320439.db2.gz	RXAOGLBZWBBBGH-UHFFFAOYSA-N	-1	0	267.288	2.891	20	30		CFEDRM
C=CC[C@H](OCCCC[P@@](=O)([O-])O)C(C)C	ZINC001225019078	775335599	/nfs/dbraw/zinc/33/55/99/775335599.db2.gz	QPNAXSYBCQWFIJ-NSHDSACASA-N	-1	0	250.275	2.562	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)OCCCC[P@@](=O)([O-])O	ZINC001225018565	775336246	/nfs/dbraw/zinc/33/62/46/775336246.db2.gz	ATJQGHJUKZTQBO-OAHLLOKOSA-N	-1	0	296.303	2.791	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)OCCCC[P@@](=O)([O-])O	ZINC001225019208	775338078	/nfs/dbraw/zinc/33/80/78/775338078.db2.gz	UPYNSZFWGDGMJH-LBPRGKRZSA-N	-1	0	274.297	2.565	20	30		CFEDRM
CCC1=C(Oc2ccccc2[S-])C(=O)[C@@H](C)O1	ZINC001225585507	775512385	/nfs/dbraw/zinc/51/23/85/775512385.db2.gz	XYLVXMKBZWTEQN-MRVPVSSYSA-N	-1	0	250.319	2.964	20	30		CFEDRM
C=C[C@@H]1O[C@H](Oc2ccccc2[S-])[C@H]2OC(C)(C)O[C@@H]12	ZINC001225588957	775513879	/nfs/dbraw/zinc/51/38/79/775513879.db2.gz	XZMUOHKWUIFTIX-NZPIUUIZSA-N	-1	0	294.372	2.785	20	30		CFEDRM
CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1F	ZINC001225884091	775624269	/nfs/dbraw/zinc/62/42/69/775624269.db2.gz	FKEIWJONBFQDCN-ZDUSSCGKSA-N	-1	0	286.306	2.921	20	30		CFEDRM
C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)c(F)cc2C#N)C1	ZINC001226009118	775666586	/nfs/dbraw/zinc/66/65/86/775666586.db2.gz	SPGUGKXIVBZEEX-PSASIEDQSA-N	-1	0	250.273	2.755	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@H]1CCc2ccccc21	ZINC001226012554	775667263	/nfs/dbraw/zinc/66/72/63/775667263.db2.gz	BAKVLRUXTYCZPQ-ZDUSSCGKSA-N	-1	0	270.263	2.864	20	30		CFEDRM
C=C[C@@H]1O[C@H](Oc2cccc([S-])c2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001226013411	775669630	/nfs/dbraw/zinc/66/96/30/775669630.db2.gz	GGOWXKIZEZPYHT-XUXIUFHCSA-N	-1	0	294.372	2.785	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068455	775687775	/nfs/dbraw/zinc/68/77/75/775687775.db2.gz	PLYDDDQJHWQUPM-GZMMTYOYSA-N	-1	0	296.248	2.858	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@H]2CCc3ccccc3O2)c1C#N	ZINC001226221633	775740398	/nfs/dbraw/zinc/74/03/98/775740398.db2.gz	ONCBCMDUJCDGMP-CYBMUJFWSA-N	-1	0	296.326	2.740	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ccncc2)c1C#N	ZINC001226221227	775741707	/nfs/dbraw/zinc/74/17/07/775741707.db2.gz	JPUIQWYWCQNIHL-SNVBAGLBSA-N	-1	0	255.277	2.502	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1O[C@@H](C)C1=CC=C[CH]1	ZINC001226305361	775774097	/nfs/dbraw/zinc/77/40/97/775774097.db2.gz	KZLYQWMIOKYMRK-NSHDSACASA-N	-1	0	268.292	2.813	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1nc2ncnc-2c(S)[n-]1	ZINC001226784817	775964091	/nfs/dbraw/zinc/96/40/91/775964091.db2.gz	JIEYJDPWLKVKMW-VIFPVBQESA-N	-1	0	288.376	2.625	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226845177	775988265	/nfs/dbraw/zinc/98/82/65/775988265.db2.gz	BFRZVQKSGGSFSV-SECBINFHSA-N	-1	0	299.168	2.906	20	30		CFEDRM
C=CC[C@H](Oc1n[n-]c(=O)cc1Br)C(C)C	ZINC001226850819	775990373	/nfs/dbraw/zinc/99/03/73/775990373.db2.gz	WXGWRIPYZKZUTL-VIFPVBQESA-N	-1	0	287.157	2.924	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227347585	776181751	/nfs/dbraw/zinc/18/17/51/776181751.db2.gz	RBLWMGIJGOWCGV-BXUZGUMPSA-N	-1	0	268.316	2.825	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2ccc(C)cc21)C(C)C	ZINC001227348015	776181931	/nfs/dbraw/zinc/18/19/31/776181931.db2.gz	SWBZJIPPOKVFBE-ZDUSSCGKSA-N	-1	0	256.305	2.680	20	30		CFEDRM
Cc1nnc(=S)[n-]c1O[C@@H](CC#N)c1ccccc1	ZINC001227598607	776238182	/nfs/dbraw/zinc/23/81/82/776238182.db2.gz	KZGFVPWVGOMECE-NSHDSACASA-N	-1	0	272.333	2.503	20	30		CFEDRM
C=CCC(CC=C)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227713671	776267111	/nfs/dbraw/zinc/26/71/11/776267111.db2.gz	PXIRGHJAWLCIFJ-VIFPVBQESA-N	-1	0	262.309	2.673	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227713831	776267195	/nfs/dbraw/zinc/26/71/95/776267195.db2.gz	QUKHKKJXAGWMBD-UWVGGRQHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C#C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C	ZINC001227743085	776276092	/nfs/dbraw/zinc/27/60/92/776276092.db2.gz	IQXGFEBPYNESFX-LBPRGKRZSA-N	-1	0	259.265	2.508	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000125575279	776359295	/nfs/dbraw/zinc/35/92/95/776359295.db2.gz	ARTLEOOFHNLVRA-CQSZACIVSA-N	-1	0	290.338	2.845	20	30		CFEDRM
O=C1CC(OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1	ZINC001222939318	776362509	/nfs/dbraw/zinc/36/25/09/776362509.db2.gz	XOBODMOUAHTQLC-WJDWOHSUSA-N	-1	0	289.665	2.859	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000125587749	776365897	/nfs/dbraw/zinc/36/58/97/776365897.db2.gz	NGUFWZWDZXPNKS-CQSZACIVSA-N	-1	0	290.363	2.915	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccnc1Cl	ZINC001228899335	776649917	/nfs/dbraw/zinc/64/99/17/776649917.db2.gz	VFUHKHVZEVSTKR-MRVPVSSYSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)ccc2C#N)O1	ZINC001228901255	776651388	/nfs/dbraw/zinc/65/13/88/776651388.db2.gz	KNYMATAHYXGWCR-MLGOLLRUSA-N	-1	0	288.347	2.940	20	30		CFEDRM
C[C@H](Cc1ccccc1)Oc1[n-]c(=O)ccc1C#N	ZINC001228901545	776651884	/nfs/dbraw/zinc/65/18/84/776651884.db2.gz	MOFJDIFNFHQBSL-LLVKDONJSA-N	-1	0	254.289	2.669	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137175	776730823	/nfs/dbraw/zinc/73/08/23/776730823.db2.gz	HIZUIGLLFKCULU-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#CC[C@H](C)Oc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC001229357073	776789496	/nfs/dbraw/zinc/78/94/96/776789496.db2.gz	ZWYSNDXTWORGGM-NSHDSACASA-N	-1	0	290.340	2.877	20	30		CFEDRM
C=C[C@@H](CCCCC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-]	ZINC001229382396	776797002	/nfs/dbraw/zinc/79/70/02/776797002.db2.gz	TWENXAHEVSDOFE-JTQLQIEISA-N	-1	0	281.312	2.913	20	30		CFEDRM
C=C1O[C@@H](C)C(=O)C1Oc1ccc([S-])cc1C	ZINC001229634906	776862318	/nfs/dbraw/zinc/86/23/18/776862318.db2.gz	OAWUGQJBLXWKHW-QMMMGPOBSA-N	-1	0	250.319	2.882	20	30		CFEDRM
C#C[C@@H](Oc1ncc(C(=O)OC)[n-]1)[C@H](CC)CCCC	ZINC001230280717	776970379	/nfs/dbraw/zinc/97/03/79/776970379.db2.gz	ZPVXBEWVCLKAKF-DGCLKSJQSA-N	-1	0	278.352	2.793	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231348154	777198445	/nfs/dbraw/zinc/19/84/45/777198445.db2.gz	DKDRATORRZFQBW-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
CCCCN(CC#N)Cc1ccc(C(=O)[O-])s1	ZINC001231465163	777227992	/nfs/dbraw/zinc/22/79/92/777227992.db2.gz	DBDJJBCVLUZNJD-UHFFFAOYSA-N	-1	0	252.339	2.572	20	30		CFEDRM
CCCCN(CCC#N)Cc1ccccc1OCC(=O)[O-]	ZINC001231792415	777336369	/nfs/dbraw/zinc/33/63/69/777336369.db2.gz	QJIHGAVNMWIZSN-UHFFFAOYSA-N	-1	0	290.363	2.666	20	30		CFEDRM
CCCCCCCCC[C@@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226607877	777586770	/nfs/dbraw/zinc/58/67/70/777586770.db2.gz	UEHIPDUZUKRMNS-LLVKDONJSA-N	-1	0	268.353	2.896	20	30		CFEDRM
C[C@H]1CCN(Cc2cc(C#N)ccc2[O-])CC1(F)F	ZINC001232673492	777636432	/nfs/dbraw/zinc/63/64/32/777636432.db2.gz	IAMPYOURROIGCA-JTQLQIEISA-N	-1	0	266.291	2.741	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CC[C@@H](CF)C(F)(F)C2)c1	ZINC001232674000	777638076	/nfs/dbraw/zinc/63/80/76/777638076.db2.gz	PLQNHPYPBPATPM-LBPRGKRZSA-N	-1	0	284.281	2.691	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1n[n-]c(=O)cc1Br	ZINC001226848476	777672852	/nfs/dbraw/zinc/67/28/52/777672852.db2.gz	CWJGFWNNBQIDNG-QMMMGPOBSA-N	-1	0	285.141	2.516	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2ccccc21	ZINC001226977125	777715902	/nfs/dbraw/zinc/71/59/02/777715902.db2.gz	MYJCEYULUDINOE-NSHDSACASA-N	-1	0	256.305	2.906	20	30		CFEDRM
CC1(C#N)CN(Cc2c([O-])cc(Br)cc2F)C1	ZINC001233027797	777769841	/nfs/dbraw/zinc/76/98/41/777769841.db2.gz	ZNKYZRAYPPXBJB-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C[C@@H](C#N)N(C)Cc1c([O-])cc(Br)cc1F	ZINC001233029187	777770596	/nfs/dbraw/zinc/77/05/96/777770596.db2.gz	AVYCUVUBGLMOGH-ZETCQYMHSA-N	-1	0	287.132	2.638	20	30		CFEDRM
N#C[C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-]	ZINC001233078023	777789464	/nfs/dbraw/zinc/78/94/64/777789464.db2.gz	CWBHDTMJCOHSJX-SNVBAGLBSA-N	-1	0	252.264	2.548	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(F)c1	ZINC000127234811	777938572	/nfs/dbraw/zinc/93/85/72/777938572.db2.gz	YTLAIQSFTZGNRM-CQSZACIVSA-N	-1	0	288.322	2.597	20	30		CFEDRM
C#C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233587783	777999050	/nfs/dbraw/zinc/99/90/50/777999050.db2.gz	ZPQCKPYUBMWLCN-LLVKDONJSA-N	-1	0	260.680	2.589	20	30		CFEDRM
C#C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1	ZINC001233587784	777999155	/nfs/dbraw/zinc/99/91/55/777999155.db2.gz	ZPQCKPYUBMWLCN-NSHDSACASA-N	-1	0	260.680	2.589	20	30		CFEDRM
C#CC[C@@H](CC)Oc1cc([O-])cc2occc(=O)c12	ZINC001233835323	778090265	/nfs/dbraw/zinc/09/02/65/778090265.db2.gz	XPFWYZYLZOOYRD-LLVKDONJSA-N	-1	0	258.273	2.679	20	30		CFEDRM
C=C[C@H](CCCCCC)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233939463	778119023	/nfs/dbraw/zinc/11/90/23/778119023.db2.gz	JYPFPURUHHJZHL-SNVBAGLBSA-N	-1	0	276.340	2.550	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043964	778151206	/nfs/dbraw/zinc/15/12/06/778151206.db2.gz	HEVVDHKPBYQLJZ-GWCFXTLKSA-N	-1	0	284.315	2.530	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514448	778241035	/nfs/dbraw/zinc/24/10/35/778241035.db2.gz	VPBAGCONBVOXLA-LLVKDONJSA-N	-1	0	267.288	2.717	20	30		CFEDRM
CO[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234519751	778242648	/nfs/dbraw/zinc/24/26/48/778242648.db2.gz	LSSBELPBJFUYDS-KBPBESRZSA-N	-1	0	299.330	2.543	20	30		CFEDRM
N#Cc1ccc2nc(=O)[n-]c(OC3CCCCC3)c2c1	ZINC001234531190	778246489	/nfs/dbraw/zinc/24/64/89/778246489.db2.gz	UMJXYFHPQGUWQU-UHFFFAOYSA-N	-1	0	269.304	2.919	20	30		CFEDRM
CCC#C[C@H](C)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234815590	778298521	/nfs/dbraw/zinc/29/85/21/778298521.db2.gz	WTVKOQIQIHGEGB-JTQLQIEISA-N	-1	0	272.300	2.988	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235458294	778497559	/nfs/dbraw/zinc/49/75/59/778497559.db2.gz	IVMUJWKXDHIHFR-ZZXKWVIFSA-N	-1	0	268.247	2.857	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000159710124	778578322	/nfs/dbraw/zinc/57/83/22/778578322.db2.gz	OOZYDVVDJVMNEW-ZDUSSCGKSA-N	-1	0	288.347	2.582	20	30		CFEDRM
N#Cc1sc(NC[C@@H](C(=O)[O-])C2CCC2)nc1Cl	ZINC000697970607	778600527	/nfs/dbraw/zinc/60/05/27/778600527.db2.gz	MPGJCLXYDVAVNA-SSDOTTSWSA-N	-1	0	285.756	2.581	20	30		CFEDRM
N#Cc1ncc(-c2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001236152847	778719234	/nfs/dbraw/zinc/71/92/34/778719234.db2.gz	OHJZIGCHZKTWDV-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1	ZINC001233032158	779008975	/nfs/dbraw/zinc/00/89/75/779008975.db2.gz	VLARUZQLKWEZFO-QMMMGPOBSA-N	-1	0	299.143	2.639	20	30		CFEDRM
CCn1c(C)cc(C(=O)Nc2cc(C#N)ccc2[O-])c1C	ZINC000176404012	779124386	/nfs/dbraw/zinc/12/43/86/779124386.db2.gz	FCCUUOZLETXOQY-UHFFFAOYSA-N	-1	0	283.331	2.954	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1	ZINC001237798321	779180617	/nfs/dbraw/zinc/18/06/17/779180617.db2.gz	DQJWDTOJSBTYCW-VIFPVBQESA-N	-1	0	268.719	2.920	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2F)c(C#N)c1	ZINC001239244667	779482949	/nfs/dbraw/zinc/48/29/49/779482949.db2.gz	BLQUQYXRZFCMSR-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1cc(-c2cc(F)c(C(=O)[O-])c(F)c2)ncc1C#N	ZINC001239332882	779522796	/nfs/dbraw/zinc/52/27/96/779522796.db2.gz	UPLKXTZVXUBDRO-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#Cc1cc(F)cnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239333618	779524289	/nfs/dbraw/zinc/52/42/89/779524289.db2.gz	XMVLWZVTDKQNOO-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
N#Cc1ccc(-c2cccc(S(=O)(=O)[O-])c2)cc1F	ZINC001240157498	779978016	/nfs/dbraw/zinc/97/80/16/779978016.db2.gz	RRCLYAKIWSUQCF-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1cnc(-c2cccc(/C=C/C(=O)[O-])c2)c(C#N)c1	ZINC001240547135	780241331	/nfs/dbraw/zinc/24/13/31/780241331.db2.gz	PWAHNYFGSFFKTF-SNAWJCMRSA-N	-1	0	275.267	2.590	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1cccc(/C=C/C(=O)[O-])c1	ZINC001240549849	780243951	/nfs/dbraw/zinc/24/39/51/780243951.db2.gz	XYNQDRKPCIOXNA-SNAWJCMRSA-N	-1	0	268.247	2.857	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(CC#N)ccn1	ZINC001240734534	780402073	/nfs/dbraw/zinc/40/20/73/780402073.db2.gz	ZTSYJIXNVVWMEH-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccnc2[nH]cc(C#N)c21	ZINC001240737273	780404271	/nfs/dbraw/zinc/40/42/71/780404271.db2.gz	AZZBFRLZMYVZKT-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(C(=O)[O-])s3)c12	ZINC001240847019	780473651	/nfs/dbraw/zinc/47/36/51/780473651.db2.gz	JJFNLELCENPQPU-UHFFFAOYSA-N	-1	0	269.285	2.813	20	30		CFEDRM
Cc1nc(-c2ccc(CC(=O)[O-])cc2)ccc1C#N	ZINC001240971953	780560200	/nfs/dbraw/zinc/56/02/00/780560200.db2.gz	KVSHOCHVFUQKOW-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1cc2nc(-c3ccc(CC(=O)[O-])cc3)ccc2[nH]1	ZINC001240973569	780562481	/nfs/dbraw/zinc/56/24/81/780562481.db2.gz	VPFCIEPHQQSESK-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#CC1(c2ccnc(-c3ccc(CC(=O)[O-])cc3)c2)CC1	ZINC001240974495	780563634	/nfs/dbraw/zinc/56/36/34/780563634.db2.gz	RLBXQBDPSPEUAF-UHFFFAOYSA-N	-1	0	278.311	2.931	20	30		CFEDRM
COc1cccc(-c2ccc(CC(=O)[O-])cc2)c1C#N	ZINC001240975661	780564280	/nfs/dbraw/zinc/56/42/80/780564280.db2.gz	WFPAQBCMFDUOJR-UHFFFAOYSA-N	-1	0	267.284	2.861	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2C)nc1	ZINC001241000158	780583574	/nfs/dbraw/zinc/58/35/74/780583574.db2.gz	GHMSHRFFKDBVPE-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
COc1nc(-c2cc(C(=O)[O-])ccc2C)c(F)cc1C#N	ZINC001241000024	780583860	/nfs/dbraw/zinc/58/38/60/780583860.db2.gz	CCDQZDKTINKCDG-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1ncc(C#N)cc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212511726	780614897	/nfs/dbraw/zinc/61/48/97/780614897.db2.gz	BVTUYOHJNSUUOC-UHFFFAOYSA-N	-1	0	289.241	2.982	20	30		CFEDRM
N#Cc1cccc(O)c1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212514584	780623838	/nfs/dbraw/zinc/62/38/38/780623838.db2.gz	AXRFQAXRCODKKP-UHFFFAOYSA-N	-1	0	290.225	2.984	20	30		CFEDRM
N#Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2)c(F)c1	ZINC001241184250	780688630	/nfs/dbraw/zinc/68/86/30/780688630.db2.gz	YENQCFTYRATEFK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(F)c2)nc1CC#N	ZINC001241185060	780689790	/nfs/dbraw/zinc/68/97/90/780689790.db2.gz	KWUSXVKLOTYZNF-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241187897	780692036	/nfs/dbraw/zinc/69/20/36/780692036.db2.gz	RRRCTFYRZBYHSK-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241242538	780726822	/nfs/dbraw/zinc/72/68/22/780726822.db2.gz	KZKLAJIJKYDANR-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1nc(-c2ccc(F)c(C(=O)[O-])c2)ccc1C#N	ZINC001241244615	780728905	/nfs/dbraw/zinc/72/89/05/780728905.db2.gz	RLAABKJPSLJHJT-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc(F)c(C(=O)[O-])c3)cn12	ZINC001241246457	780730954	/nfs/dbraw/zinc/73/09/54/780730954.db2.gz	UGLMWFLFQPDBTN-UHFFFAOYSA-N	-1	0	281.246	2.710	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC001241348214	780801724	/nfs/dbraw/zinc/80/17/24/780801724.db2.gz	HWFMSIKIKNLVHD-UHFFFAOYSA-N	-1	0	298.689	2.547	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc(C(=O)[O-])c3)ccc12	ZINC001241357174	780806734	/nfs/dbraw/zinc/80/67/34/780806734.db2.gz	LPGMZQWAHWZMEF-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
CCCCCCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000703739095	781053925	/nfs/dbraw/zinc/05/39/25/781053925.db2.gz	LMFGSLMBEVZECC-OLZOCXBDSA-N	-1	0	284.400	2.709	20	30		CFEDRM
N#Cc1ccc2c(c1)nccc2-c1cncc(C(=O)[O-])c1	ZINC001241801185	781132381	/nfs/dbraw/zinc/13/23/81/781132381.db2.gz	ATTYJDYYFIRYLE-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c(-c2cncc(C(=O)[O-])c2)ccc2ncccc12	ZINC001241803014	781134357	/nfs/dbraw/zinc/13/43/57/781134357.db2.gz	OKSBUOGAEIBNAK-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cc(F)cc(C(=O)[O-])c3)ccc12	ZINC001241816207	781141493	/nfs/dbraw/zinc/14/14/93/781141493.db2.gz	CVLNIPXQOZPIJK-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#Cc1ccnc(-c2cc(F)cc(C(=O)[O-])c2)c1F	ZINC001241816593	781141670	/nfs/dbraw/zinc/14/16/70/781141670.db2.gz	IEGRCVUEJZIXGK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
Cc1cc(C#N)cc(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241821414	781143773	/nfs/dbraw/zinc/14/37/73/781143773.db2.gz	QBZFJJKAYGXIOE-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1ccnc(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241824355	781145719	/nfs/dbraw/zinc/14/57/19/781145719.db2.gz	VQIVALBONOKDFE-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
CCCCCCCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000705954217	781149911	/nfs/dbraw/zinc/14/99/11/781149911.db2.gz	PGXGXKSTERVWNZ-UHFFFAOYSA-N	-1	0	272.389	2.757	20	30		CFEDRM
COc1ccc(-c2cccc(CC#N)n2)cc1C(=O)[O-]	ZINC001241854780	781154905	/nfs/dbraw/zinc/15/49/05/781154905.db2.gz	KVFRTASSWYDVRA-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2ccc3c(C#N)c[nH]c3n2)cc1C(=O)[O-]	ZINC001241856528	781155689	/nfs/dbraw/zinc/15/56/89/781155689.db2.gz	SZRJTRARKSDQJR-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(-c2cc(CC#N)cnc2F)cc1C(=O)[O-]	ZINC001241879738	781162576	/nfs/dbraw/zinc/16/25/76/781162576.db2.gz	DDJFXLJMAJUBHO-UHFFFAOYSA-N	-1	0	286.262	2.661	20	30		CFEDRM
COc1ccc(-c2cnccc2CC#N)cc1C(=O)[O-]	ZINC001241880962	781162698	/nfs/dbraw/zinc/16/26/98/781162698.db2.gz	YJTXNSOMDPHWLT-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1nc(-c2cc(C(F)(F)F)ccc2[O-])ncc1C#N	ZINC001242131161	781294811	/nfs/dbraw/zinc/29/48/11/781294811.db2.gz	FFJNYYMISZLFEK-UHFFFAOYSA-N	-1	0	295.220	2.748	20	30		CFEDRM
N#Cc1ccnnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242151625	781303025	/nfs/dbraw/zinc/30/30/25/781303025.db2.gz	SFEMGUDNFFNNSG-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
CC(C)[C@@H](C#N)c1ccc(-c2cnn(CC(=O)[O-])c2)cc1	ZINC001242184829	781317541	/nfs/dbraw/zinc/31/75/41/781317541.db2.gz	CEDCQAVGTTVXTI-OAHLLOKOSA-N	-1	0	283.331	2.898	20	30		CFEDRM
CCc1cc(-c2cnn(CC(=O)[O-])c2)cc(CC)c1C#N	ZINC001242186207	781317629	/nfs/dbraw/zinc/31/76/29/781317629.db2.gz	ONVPHTFPCFGXDL-UHFFFAOYSA-N	-1	0	283.331	2.631	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cc(C#N)ccn1	ZINC001242204538	781324475	/nfs/dbraw/zinc/32/44/75/781324475.db2.gz	KEYPRLAEOHKWAF-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1cnc(-c2cc(C(=O)[O-])cc(F)c2C)c(C#N)c1	ZINC001242204357	781324539	/nfs/dbraw/zinc/32/45/39/781324539.db2.gz	BOHARUBSYRVABG-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccncc1C#N	ZINC001242211034	781327869	/nfs/dbraw/zinc/32/78/69/781327869.db2.gz	QAGALLMCHJYCBN-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CC1(c2ccc(-c3cccc(CC(=O)[O-])c3)nc2)CC1	ZINC001242262238	781347317	/nfs/dbraw/zinc/34/73/17/781347317.db2.gz	SSUDRMWDABXNGK-UHFFFAOYSA-N	-1	0	278.311	2.931	20	30		CFEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])nc2)cc1C(F)(F)F	ZINC001242335304	781404957	/nfs/dbraw/zinc/40/49/57/781404957.db2.gz	AEVLUTOBMBPOGW-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1cccc(F)c1[O-]	ZINC001242349313	781421170	/nfs/dbraw/zinc/42/11/70/781421170.db2.gz	OLPYOALSHODXSA-UHFFFAOYSA-N	-1	0	288.278	2.756	20	30		CFEDRM
Cc1ccnc(-c2cccc(C(=O)[O-])c2F)c1C#N	ZINC001242377663	781445182	/nfs/dbraw/zinc/44/51/82/781445182.db2.gz	BBVRAULLOLDWRJ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1nccc(-c2cccc(C(=O)[O-])c2F)c1C#N	ZINC001242382022	781451931	/nfs/dbraw/zinc/45/19/31/781451931.db2.gz	LRLDIWHMHKQUCA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cc(C)c(C#N)cn1	ZINC001242388129	781458132	/nfs/dbraw/zinc/45/81/32/781458132.db2.gz	VCMBEFZLLNQDLW-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cccc(/C=N/O)c1	ZINC001242391273	781460332	/nfs/dbraw/zinc/46/03/32/781460332.db2.gz	IKDWDPBKKJQSSP-CXUHLZMHSA-N	-1	0	271.272	2.869	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C#N)c(CC#N)c1	ZINC001242391173	781460537	/nfs/dbraw/zinc/46/05/37/781460537.db2.gz	WSOJITODXFKITL-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1cccc(-c2cc(C(=O)[O-])ccc2OC)c1C#N	ZINC001242391417	781460553	/nfs/dbraw/zinc/46/05/53/781460553.db2.gz	PEACFUORIVRWJU-UHFFFAOYSA-N	-1	0	283.283	2.941	20	30		CFEDRM
Cc1ccc(C#N)cc1-c1ccccc1S(=O)(=O)[O-]	ZINC001242543898	781583016	/nfs/dbraw/zinc/58/30/16/781583016.db2.gz	OLQLWKYKKVHZLD-UHFFFAOYSA-N	-1	0	273.313	2.780	20	30		CFEDRM
N#Cc1cc(-c2ncc3sccc3n2)ccc1[O-]	ZINC001242561963	781599984	/nfs/dbraw/zinc/59/99/84/781599984.db2.gz	FOWAIUCJUKCIEP-UHFFFAOYSA-N	-1	0	253.286	2.936	20	30		CFEDRM
N#Cc1ccccc1-c1cc(C(F)(F)F)c(C(=O)[O-])nn1	ZINC001242714758	781714934	/nfs/dbraw/zinc/71/49/34/781714934.db2.gz	QKSAWABACZLJSF-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc([O-])c2Cl)c(C#N)n1	ZINC001242800713	781765954	/nfs/dbraw/zinc/76/59/54/781765954.db2.gz	LUMJHGUEYGTRBP-UHFFFAOYSA-N	-1	0	288.690	2.766	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(NC[C@H](C(=O)[O-])C(C)C)c2c1	ZINC000594540866	349444066	/nfs/dbraw/zinc/44/40/66/349444066.db2.gz	KBICCRNYFHPPFL-AWEZNQCLSA-N	-1	0	297.358	2.606	20	30		CFEDRM
C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594541336	349444342	/nfs/dbraw/zinc/44/43/42/349444342.db2.gz	RRJKICPJQTWUAA-JIMOISOXSA-N	-1	0	273.336	2.501	20	30		CFEDRM
CC(C)c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000594734305	349483817	/nfs/dbraw/zinc/48/38/17/349483817.db2.gz	WCBMCQHEAIZRFD-UHFFFAOYSA-N	-1	0	282.347	2.782	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(Cl)ccc1OC	ZINC000096659543	185108697	/nfs/dbraw/zinc/10/86/97/185108697.db2.gz	QCQCVLOXWCOINT-UHFFFAOYSA-N	-1	0	275.757	2.666	20	30		CFEDRM
CC(C)C[C@@H](CNC(=O)CC1(C#N)CCCCC1)C(=O)[O-]	ZINC000595281655	349590048	/nfs/dbraw/zinc/59/00/48/349590048.db2.gz	QBYXIUPTELNVHL-ZDUSSCGKSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl	ZINC000334896142	529588324	/nfs/dbraw/zinc/58/83/24/529588324.db2.gz	JRTIHMVAGYGRMZ-ZCFIWIBFSA-N	-1	0	294.710	2.662	20	30		CFEDRM
N#Cc1cc2cccnc2nc1NC1CCC(C(=O)[O-])CC1	ZINC000595966983	349773090	/nfs/dbraw/zinc/77/30/90/349773090.db2.gz	UXIZTLKMGKBUFH-UHFFFAOYSA-N	-1	0	296.330	2.557	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1nc(C#N)c(Cl)s1	ZINC000595967174	349773097	/nfs/dbraw/zinc/77/30/97/349773097.db2.gz	ZCSGYXHHPNLUHB-UHFFFAOYSA-N	-1	0	273.745	2.723	20	30		CFEDRM
CCc1nc(C)c(C([O-])=C(C#N)c2nc(C)cs2)o1	ZINC000344627348	529721078	/nfs/dbraw/zinc/72/10/78/529721078.db2.gz	DOZYURIQOYNWOI-VIFPVBQESA-N	-1	0	275.333	2.800	20	30		CFEDRM
N#Cc1ccc(CCN=c2nc(C(F)(F)F)[n-]s2)cc1	ZINC000596322723	349862639	/nfs/dbraw/zinc/86/26/39/349862639.db2.gz	WISMEPZXJRDCGX-UHFFFAOYSA-N	-1	0	298.293	2.505	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)NCCC(C)(C)C)cc1C#N	ZINC000073940759	346985836	/nfs/dbraw/zinc/98/58/36/346985836.db2.gz	GVXBXGKAEHASNQ-UHFFFAOYSA-N	-1	0	293.392	2.547	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000516877793	260220155	/nfs/dbraw/zinc/22/01/55/260220155.db2.gz	MYXCIVZIASOBHD-ZDUSSCGKSA-N	-1	0	275.348	2.702	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccc(C2CCCCC2)cc1	ZINC000042278864	346363513	/nfs/dbraw/zinc/36/35/13/346363513.db2.gz	KXFVQQJEENGQQQ-UHFFFAOYSA-N	-1	0	281.377	2.999	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C(C)(C)C)[nH]n2)n1	ZINC000075830449	347100710	/nfs/dbraw/zinc/10/07/10/347100710.db2.gz	NEWNBMIJFLOOGK-VIFPVBQESA-N	-1	0	288.376	2.962	20	30		CFEDRM
CC(C)[C@H](CNc1nc2c(cc1C#N)CCCC2)C(=O)[O-]	ZINC000087506034	347495948	/nfs/dbraw/zinc/49/59/48/347495948.db2.gz	CLJBWJUNXVWFMV-ZDUSSCGKSA-N	-1	0	287.363	2.601	20	30		CFEDRM
CC1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)C1	ZINC000084844388	347475901	/nfs/dbraw/zinc/47/59/01/347475901.db2.gz	SLPUGFUXZDVEMK-UHFFFAOYSA-N	-1	0	293.388	2.867	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C1C2CC3CC(C2)CC1C3	ZINC000089286912	347515494	/nfs/dbraw/zinc/51/54/94/347515494.db2.gz	LURRUAPKNIFHEC-UHFFFAOYSA-N	-1	0	283.393	2.531	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(C#N)cn1)CC(=O)[O-]	ZINC000088274360	347500546	/nfs/dbraw/zinc/50/05/46/347500546.db2.gz	GDUTVSAIOGRCFG-LBPRGKRZSA-N	-1	0	261.325	2.502	20	30		CFEDRM
N#Cc1c(F)cccc1N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000093396157	347673021	/nfs/dbraw/zinc/67/30/21/347673021.db2.gz	UPRYKFGKDMMFSR-NSHDSACASA-N	-1	0	276.311	2.779	20	30		CFEDRM
N#Cc1cc(F)ccc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000111026051	347750668	/nfs/dbraw/zinc/75/06/68/347750668.db2.gz	GDCVBVLYOIEWIQ-LLVKDONJSA-N	-1	0	276.311	2.779	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1ccc(C#N)cc1Br	ZINC000213318625	348160112	/nfs/dbraw/zinc/16/01/12/348160112.db2.gz	UMDXLZNNXNYMCC-SNVBAGLBSA-N	-1	0	297.152	2.620	20	30		CFEDRM
C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1C(=O)[O-]	ZINC000311586715	348413552	/nfs/dbraw/zinc/41/35/52/348413552.db2.gz	WNZPVNSWTXCRHF-BXKDBHETSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CCCCCCC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1	ZINC000588732626	348793619	/nfs/dbraw/zinc/79/36/19/348793619.db2.gz	KNWMPKRTRUVEPT-UHFFFAOYSA-N	-1	0	299.334	2.590	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1F	ZINC000591531340	349029486	/nfs/dbraw/zinc/02/94/86/349029486.db2.gz	SSPIVXVBWBIAPZ-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
C[C@H]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C(=O)[O-]	ZINC000592421097	349118782	/nfs/dbraw/zinc/11/87/82/349118782.db2.gz	MTIXGONVCBOBNG-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CCCc1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1	ZINC000593946027	349337820	/nfs/dbraw/zinc/33/78/20/349337820.db2.gz	ZBZIUEHYDVZNGZ-UHFFFAOYSA-N	-1	0	284.363	2.857	20	30		CFEDRM
CCc1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)s1	ZINC000593945727	349337963	/nfs/dbraw/zinc/33/79/63/349337963.db2.gz	QFMSLPQTZLCJKO-UHFFFAOYSA-N	-1	0	286.404	2.936	20	30		CFEDRM
N#CC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCC1	ZINC000593774122	349323665	/nfs/dbraw/zinc/32/36/65/349323665.db2.gz	UOIYEOXHWHRQIU-UHFFFAOYSA-N	-1	0	298.264	2.623	20	30		CFEDRM
C=CC(C)(C)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000600677704	350595928	/nfs/dbraw/zinc/59/59/28/350595928.db2.gz	KAVDOJVFRUPOGE-UHFFFAOYSA-N	-1	0	279.296	2.702	20	30		CFEDRM
C[C@H]1CN(c2cc(C#N)nc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000600803816	350614914	/nfs/dbraw/zinc/61/49/14/350614914.db2.gz	ZEIYQACSNBESLG-WCQYABFASA-N	-1	0	295.342	2.653	20	30		CFEDRM
CN=c1[n-]nc(S[C@H](C#N)CCc2ccccc2)s1	ZINC000601074716	350659309	/nfs/dbraw/zinc/65/93/09/350659309.db2.gz	ZDPCABFGTFEDEI-NSHDSACASA-N	-1	0	290.417	2.619	20	30		CFEDRM
Cc1[n-]n([C@H](C)COc2ccccc2)c(=O)c1CCC#N	ZINC000601947200	350814668	/nfs/dbraw/zinc/81/46/68/350814668.db2.gz	SPMPDPRXDSIKMF-DOMZBBRYSA-N	-1	0	285.347	2.592	20	30		CFEDRM
CC(C)(C)CCn1[n-]c(-c2cccc(C#N)c2)cc1=O	ZINC000601955591	350818244	/nfs/dbraw/zinc/81/82/44/350818244.db2.gz	JBHQWSIARUTLFD-UHFFFAOYSA-N	-1	0	269.348	2.931	20	30		CFEDRM
CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCC[C@@H]1C#N	ZINC000601821768	350785700	/nfs/dbraw/zinc/78/57/00/350785700.db2.gz	SXNHMOTZRVUZDT-PRHODGIISA-N	-1	0	296.729	2.949	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(CC#N)cc1	ZINC000601982524	350823032	/nfs/dbraw/zinc/82/30/32/350823032.db2.gz	CSJHAMLFNKRYRP-HNNXBMFYSA-N	-1	0	274.320	2.582	20	30		CFEDRM
Cc1[n-]n(-c2ccnc3ccccc32)c(=O)c1CCC#N	ZINC000601938846	350810315	/nfs/dbraw/zinc/81/03/15/350810315.db2.gz	KPTJIQAXPBJJKA-LBPRGKRZSA-N	-1	0	278.315	2.877	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000602291349	350859975	/nfs/dbraw/zinc/85/99/75/350859975.db2.gz	WYLPVRKKELFKCZ-UHFFFAOYSA-N	-1	0	294.358	2.834	20	30		CFEDRM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CCC#N	ZINC000603923805	351192354	/nfs/dbraw/zinc/19/23/54/351192354.db2.gz	QKMCPBXIKNDKDI-JTQLQIEISA-N	-1	0	284.344	2.939	20	30		CFEDRM
Cc1[n-]n(-c2cccc3ncccc32)c(=O)c1CCC#N	ZINC000603920675	351191331	/nfs/dbraw/zinc/19/13/31/351191331.db2.gz	BKHNUEPGIZJPBC-GFCCVEGCSA-N	-1	0	278.315	2.877	20	30		CFEDRM
CC#CCSc1n[n-]c(=Nc2cccc(OC)c2)s1	ZINC000607433993	351335537	/nfs/dbraw/zinc/33/55/37/351335537.db2.gz	CTIBQVDUNACRHP-UHFFFAOYSA-N	-1	0	291.401	2.828	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(F)c1	ZINC000610254414	351544821	/nfs/dbraw/zinc/54/48/21/351544821.db2.gz	UBIDRXYZWGTQNN-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
C=CCC1(NC(=O)c2cc(F)c([O-])c(F)c2)CCOCC1	ZINC000618249460	352738503	/nfs/dbraw/zinc/73/85/03/352738503.db2.gz	UXLVATHFRBACPE-UHFFFAOYSA-N	-1	0	297.301	2.526	20	30		CFEDRM
CC(C)C[C@@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000618448009	352779989	/nfs/dbraw/zinc/77/99/89/352779989.db2.gz	ZVXHYKLLFAVPAP-VIFPVBQESA-N	-1	0	284.718	2.853	20	30		CFEDRM
CC(C)(C)c1nc(=N[C@H]2CCc3cc(C#N)ccc32)[n-]o1	ZINC000618694535	352862832	/nfs/dbraw/zinc/86/28/32/352862832.db2.gz	PNZGAFJQOKKDNT-ZDUSSCGKSA-N	-1	0	282.347	2.760	20	30		CFEDRM
N#Cc1ccc2c(c1)CC[C@@H]2N=c1nc(C2CC2)[n-]s1	ZINC000618693379	352862846	/nfs/dbraw/zinc/86/28/46/352862846.db2.gz	GKGSCPCZTGORMD-ZDUSSCGKSA-N	-1	0	282.372	2.808	20	30		CFEDRM
C=CCCC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1	ZINC000621588454	353382478	/nfs/dbraw/zinc/38/24/78/353382478.db2.gz	YHLLOFXDAZEIET-UONOGXRCSA-N	-1	0	273.332	2.770	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611073	353384200	/nfs/dbraw/zinc/38/42/00/353384200.db2.gz	WAUXAJGBWGMKTR-SECBINFHSA-N	-1	0	294.376	2.787	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2csc(C3CC3)n2)nc(C)n1	ZINC000622650288	353533584	/nfs/dbraw/zinc/53/35/84/353533584.db2.gz	QFVNZRFBFGAQIF-NSHDSACASA-N	-1	0	298.371	2.917	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1	ZINC000626312151	354248950	/nfs/dbraw/zinc/24/89/50/354248950.db2.gz	HKYOEDLFRCRLGB-SNVBAGLBSA-N	-1	0	294.424	2.687	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N=c1[n-]nc(C(F)F)s1	ZINC000626326806	354251063	/nfs/dbraw/zinc/25/10/63/354251063.db2.gz	KZMOGZPZQOPWAE-UHFFFAOYSA-N	-1	0	290.339	2.621	20	30		CFEDRM
COc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)co1	ZINC000626356050	354255454	/nfs/dbraw/zinc/25/54/54/354255454.db2.gz	PRVTVEDXGVXXGI-QMMMGPOBSA-N	-1	0	291.332	2.753	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N=c1[n-]nc(C2CC2)s1	ZINC000626205727	354231242	/nfs/dbraw/zinc/23/12/42/354231242.db2.gz	NOZFLUYFNNREHW-UHFFFAOYSA-N	-1	0	280.397	2.561	20	30		CFEDRM
C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000629772847	354927901	/nfs/dbraw/zinc/92/79/01/354927901.db2.gz	YEKZPKCPAZAFQU-UKRRQHHQSA-N	-1	0	289.375	2.794	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1	ZINC000630230748	355030944	/nfs/dbraw/zinc/03/09/44/355030944.db2.gz	PSXZWZINYAPMRB-JTQLQIEISA-N	-1	0	277.295	2.562	20	30		CFEDRM
C=CCC1(C(=O)NCc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000630232337	355031135	/nfs/dbraw/zinc/03/11/35/355031135.db2.gz	KEIFKQJZECARFK-UHFFFAOYSA-N	-1	0	287.359	2.676	20	30		CFEDRM
C=CCOCCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1	ZINC000630247309	355033586	/nfs/dbraw/zinc/03/35/86/355033586.db2.gz	MTMJPQKPYGHUME-MRXNPFEDSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCC1(CNC(=O)c2cccc(C(=O)[O-])n2)CCCC1	ZINC000630291728	355040454	/nfs/dbraw/zinc/04/04/54/355040454.db2.gz	GDOFLJKCOUXJLW-UHFFFAOYSA-N	-1	0	288.347	2.646	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630181683	355024494	/nfs/dbraw/zinc/02/44/94/355024494.db2.gz	LABBMESNUBJZAU-CHWSQXEVSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(F)c(SC)c1)C(=O)[O-]	ZINC000630319553	355049953	/nfs/dbraw/zinc/04/99/53/355049953.db2.gz	CIXSNXGQKOANSM-NSHDSACASA-N	-1	0	297.351	2.697	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000630319943	355050002	/nfs/dbraw/zinc/05/00/02/355050002.db2.gz	LKYJRDDGQKKTCG-JSGCOSHPSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cccc(Cl)c1C)C(=O)[O-]	ZINC000630319837	355050114	/nfs/dbraw/zinc/05/01/14/355050114.db2.gz	IUMMHWAXLFVGOO-LBPRGKRZSA-N	-1	0	281.739	2.798	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000630320191	355050141	/nfs/dbraw/zinc/05/01/41/355050141.db2.gz	QLRNLWAOYVIFGE-OAHLLOKOSA-N	-1	0	289.375	2.690	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](CCCC)C(C)C)C(=O)[O-]	ZINC000630320739	355050843	/nfs/dbraw/zinc/05/08/43/355050843.db2.gz	AUYVCELNWMHEER-STQMWFEESA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1csc(C)c1C)C(=O)[O-]	ZINC000630320362	355050846	/nfs/dbraw/zinc/05/08/46/355050846.db2.gz	UNTYJGRTWJUTFL-LLVKDONJSA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000630324488	355051612	/nfs/dbraw/zinc/05/16/12/355051612.db2.gz	FBLKZKHDCUQYIN-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CC(C)(C)c1ccccc1)C(=O)[O-]	ZINC000630326140	355052368	/nfs/dbraw/zinc/05/23/68/355052368.db2.gz	NPBFQHGXYVNURV-CQSZACIVSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000630324506	355052441	/nfs/dbraw/zinc/05/24/41/355052441.db2.gz	FERSVJORVRQZOZ-RISCZKNCSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000630326453	355052515	/nfs/dbraw/zinc/05/25/15/355052515.db2.gz	QGMHKQWYDKFQSV-VQTKUKTRSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000630325831	355052592	/nfs/dbraw/zinc/05/25/92/355052592.db2.gz	MLANLHRDMPWGPN-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1ccc(CC)cc1)C(=O)[O-]	ZINC000630546339	355108261	/nfs/dbraw/zinc/10/82/61/355108261.db2.gz	WICLAXSSPIYXDT-CYBMUJFWSA-N	-1	0	276.336	2.790	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000054399904	540188106	/nfs/dbraw/zinc/18/81/06/540188106.db2.gz	MCEFFFISXLSSAA-UHFFFAOYSA-N	-1	0	253.685	2.943	20	30		CFEDRM
C=CCC[C@H](C(=O)[N-]OC(C)(C)CO)c1ccccc1	ZINC000297159448	200101473	/nfs/dbraw/zinc/10/14/73/200101473.db2.gz	JPWLRNYEJOKBIX-AWEZNQCLSA-N	-1	0	277.364	2.555	20	30		CFEDRM
C=CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000670370104	540952553	/nfs/dbraw/zinc/95/25/53/540952553.db2.gz	XMLFGCDILVAQNB-YVMONPNESA-N	-1	0	298.298	2.616	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CCCC1	ZINC000666108457	540991718	/nfs/dbraw/zinc/99/17/18/540991718.db2.gz	MGQFKCLYODHMDL-KBPBESRZSA-N	-1	0	291.391	2.906	20	30		CFEDRM
C=C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1	ZINC000431542569	383681026	/nfs/dbraw/zinc/68/10/26/383681026.db2.gz	DMBVHMPJUROICH-LBPRGKRZSA-N	-1	0	299.326	2.954	20	30		CFEDRM
CC(=Cc1ccc(C#N)cc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000435335643	240304035	/nfs/dbraw/zinc/30/40/35/240304035.db2.gz	JYUJCEMYAMBGCN-UITAMQMPSA-N	-1	0	294.289	2.521	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)s1	ZINC000029967191	372389291	/nfs/dbraw/zinc/38/92/91/372389291.db2.gz	XDDIJYTUCWQZKG-UHFFFAOYSA-N	-1	0	292.385	2.923	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1C	ZINC000097513322	375566549	/nfs/dbraw/zinc/56/65/49/375566549.db2.gz	KIAXKENICMZLSP-SNVBAGLBSA-N	-1	0	296.355	2.828	20	30		CFEDRM
CC[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)c1ccccc1	ZINC000103520143	375754672	/nfs/dbraw/zinc/75/46/72/375754672.db2.gz	WCOUKFNZGXVNPJ-NSHDSACASA-N	-1	0	293.330	2.675	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)s1	ZINC000124596699	377067492	/nfs/dbraw/zinc/06/74/92/377067492.db2.gz	HCOYAXLRIHXLEW-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
CC(C)C[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]	ZINC000125796732	377194801	/nfs/dbraw/zinc/19/48/01/377194801.db2.gz	SWNCRWMKHNGIQK-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cncc(C)c2)n1	ZINC000131921133	377778358	/nfs/dbraw/zinc/77/83/58/377778358.db2.gz	CIUAAXFMRQENDO-LLVKDONJSA-N	-1	0	257.318	2.645	20	30		CFEDRM
CO[C@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000132368433	377831031	/nfs/dbraw/zinc/83/10/31/377831031.db2.gz	JOQZWXBEOXOJTD-ZGYXVDOPSA-N	-1	0	278.308	2.677	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnc(C)nc2C2CC2)n1	ZINC000329807300	378499948	/nfs/dbraw/zinc/49/99/48/378499948.db2.gz	AALPJYQKOHQKEZ-LLVKDONJSA-N	-1	0	298.371	2.917	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c(F)c1	ZINC000165322213	379038329	/nfs/dbraw/zinc/03/83/29/379038329.db2.gz	OQLWVGNPWKSHHF-UHFFFAOYSA-N	-1	0	290.294	2.671	20	30		CFEDRM
N#Cc1ccc(NCC2(C(=O)[O-])CCOCC2)cc1Cl	ZINC000165970044	379045624	/nfs/dbraw/zinc/04/56/24/379045624.db2.gz	PKQLFNNTIONJHA-UHFFFAOYSA-N	-1	0	294.738	2.505	20	30		CFEDRM
Cc1nc(NC(=O)c2c(F)cc(C#N)cc2F)cs1	ZINC000335354783	379147543	/nfs/dbraw/zinc/14/75/43/379147543.db2.gz	JEOIVKYLCQMDTH-UHFFFAOYSA-N	-1	0	279.271	2.854	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)o1	ZINC000334417880	379263665	/nfs/dbraw/zinc/26/36/65/379263665.db2.gz	RGFCFAMZSWZDRU-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
CC(C)n1c(S[C@H](C)c2ccc(C#N)cc2)n[n-]c1=N	ZINC000358574321	380941405	/nfs/dbraw/zinc/94/14/05/380941405.db2.gz	APWJAXKXBUQBCM-SNVBAGLBSA-N	-1	0	287.392	2.997	20	30		CFEDRM
CCc1sc(C([O-])=C(C#N)c2ccncn2)cc1C	ZINC000354460004	381284405	/nfs/dbraw/zinc/28/44/05/381284405.db2.gz	DPUNFYUZSRQDIZ-SNVBAGLBSA-N	-1	0	271.345	2.899	20	30		CFEDRM
CCc1sc(C([O-])=C(C#N)c2ccncn2)cc1C	ZINC000354460002	381284940	/nfs/dbraw/zinc/28/49/40/381284940.db2.gz	DPUNFYUZSRQDIZ-JTQLQIEISA-N	-1	0	271.345	2.899	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cnn3ccccc23)n1	ZINC000342760408	381521054	/nfs/dbraw/zinc/52/10/54/381521054.db2.gz	ZPDBSMGMGSRMHB-SNVBAGLBSA-N	-1	0	282.328	2.589	20	30		CFEDRM
Cc1c(C(=O)C(C#N)c2nccc3ccccc32)cnn1C	ZINC000361542068	381842478	/nfs/dbraw/zinc/84/24/78/381842478.db2.gz	VXJRXVCODUPEOT-AWEZNQCLSA-N	-1	0	290.326	2.767	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000186015106	381802752	/nfs/dbraw/zinc/80/27/52/381802752.db2.gz	HVGFZONZDQKSKZ-UHFFFAOYSA-N	-1	0	250.254	2.595	20	30		CFEDRM
CC[C@@H](CC1CCCCC1)C(=O)N=c1[n-]n(C)cc1C#N	ZINC000415250859	381818976	/nfs/dbraw/zinc/81/89/76/381818976.db2.gz	DPGWAFVUERWJKD-ZDUSSCGKSA-N	-1	0	288.395	2.649	20	30		CFEDRM
N#CC(=C([O-])c1cc2[nH]ccc2s1)c1ccncn1	ZINC000361792684	381863029	/nfs/dbraw/zinc/86/30/29/381863029.db2.gz	PLLSABFICFBUIM-MRVPVSSYSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C=CCC(F)(F)C(=O)N[C@H](COC)c1ccc(C)o1	ZINC000293132829	382002574	/nfs/dbraw/zinc/00/25/74/382002574.db2.gz	FZJWOVNTEGTAKI-SNVBAGLBSA-N	-1	0	273.279	2.603	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1	ZINC000375636682	382094676	/nfs/dbraw/zinc/09/46/76/382094676.db2.gz	PBWZCUGFIKYDTD-KGLIPLIRSA-N	-1	0	281.396	2.916	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc(OCCC(=O)[O-])cc1	ZINC000352020311	382133947	/nfs/dbraw/zinc/13/39/47/382133947.db2.gz	GWKLNGASYIJICA-YVMONPNESA-N	-1	0	294.310	2.977	20	30		CFEDRM
N#Cc1cccnc1/C=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000352020310	382134576	/nfs/dbraw/zinc/13/45/76/382134576.db2.gz	GWKLNGASYIJICA-VMPITWQZSA-N	-1	0	294.310	2.977	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21	ZINC000187550093	382207212	/nfs/dbraw/zinc/20/72/12/382207212.db2.gz	ZEORQBNPAMDUHL-YNEHKIRRSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(C(F)F)o1	ZINC000346063984	382331147	/nfs/dbraw/zinc/33/11/47/382331147.db2.gz	JTTDESYQVDNFIA-UHFFFAOYSA-N	-1	0	281.262	2.606	20	30		CFEDRM
CCOc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188246811	382376527	/nfs/dbraw/zinc/37/65/27/382376527.db2.gz	XDALPIFQWUMNNK-UHFFFAOYSA-N	-1	0	282.299	2.915	20	30		CFEDRM
C=CCCOCCN=c1nc(C2CCCC2)[n-]s1	ZINC000420617139	382428657	/nfs/dbraw/zinc/42/86/57/382428657.db2.gz	UMAMBZPXKAYQQC-UHFFFAOYSA-N	-1	0	267.398	2.622	20	30		CFEDRM
C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000188830827	382487467	/nfs/dbraw/zinc/48/74/67/382487467.db2.gz	VWHKUBCUNHABCV-JTQLQIEISA-N	-1	0	296.330	2.684	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-]	ZINC000315952476	382528181	/nfs/dbraw/zinc/52/81/81/382528181.db2.gz	VHCIUSREYZJHDT-ZDUSSCGKSA-N	-1	0	276.336	2.844	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000398235351	382635412	/nfs/dbraw/zinc/63/54/12/382635412.db2.gz	VVWQBDIGAHRVEV-ZYHUDNBSSA-N	-1	0	296.392	2.918	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000192909229	382713658	/nfs/dbraw/zinc/71/36/58/382713658.db2.gz	FVDGTHNRUTXTJF-LBPRGKRZSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1	ZINC000193088521	382715451	/nfs/dbraw/zinc/71/54/51/382715451.db2.gz	MZJNXAINQVGGIF-DYVFJYSZSA-N	-1	0	289.375	2.747	20	30		CFEDRM
N#CC(=C([O-])c1ccnc(C#N)c1)c1nc2ccccc2o1	ZINC000193546415	382720954	/nfs/dbraw/zinc/72/09/54/382720954.db2.gz	LIYIXWAQEBXRLX-LBPRGKRZSA-N	-1	0	288.266	2.585	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000191041777	382689054	/nfs/dbraw/zinc/68/90/54/382689054.db2.gz	IKIBOXFMUAIPNH-CXAGYDPISA-N	-1	0	287.359	2.670	20	30		CFEDRM
Cc1cc(C)cc(CS(=O)(=O)N[C@H](C#N)C(C)(C)C)c1	ZINC000337135298	382765934	/nfs/dbraw/zinc/76/59/34/382765934.db2.gz	MELBBQCLDAXDBE-CQSZACIVSA-N	-1	0	294.420	2.661	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1cnn(C2CCCC2)c1C	ZINC000194220330	382737833	/nfs/dbraw/zinc/73/78/33/382737833.db2.gz	MNVBDRKXTMNDCR-UHFFFAOYSA-N	-1	0	283.397	2.624	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000337101784	382761163	/nfs/dbraw/zinc/76/11/63/382761163.db2.gz	WNOOLWGDZPIBDL-GFCCVEGCSA-N	-1	0	285.347	2.662	20	30		CFEDRM
N#Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccn1	ZINC000232351133	382868672	/nfs/dbraw/zinc/86/86/72/382868672.db2.gz	AKYYMKLMEUUQLD-UHFFFAOYSA-N	-1	0	282.234	2.515	20	30		CFEDRM
C=CCCC[C@H](C)N=c1[n-]c([C@@H](C)OC)ns1	ZINC000337878619	382872696	/nfs/dbraw/zinc/87/26/96/382872696.db2.gz	SJWZSVTWUJXVHC-VHSXEESVSA-N	-1	0	255.387	2.824	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCc1nc(C2CC2)cs1	ZINC000542217452	382967672	/nfs/dbraw/zinc/96/76/72/382967672.db2.gz	TWQDZHKMBVYHBQ-UHFFFAOYSA-N	-1	0	293.421	2.503	20	30		CFEDRM
Cc1nc(C)c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)o1	ZINC000543573702	382971088	/nfs/dbraw/zinc/97/10/88/382971088.db2.gz	FRNLURSRIMDOAB-NSHDSACASA-N	-1	0	294.314	2.966	20	30		CFEDRM
Cc1[n-]n(-c2cccc3cnccc32)c(=O)c1CCC#N	ZINC000601962089	383130237	/nfs/dbraw/zinc/13/02/37/383130237.db2.gz	YIGQKHQLUUYRDZ-CYBMUJFWSA-N	-1	0	278.315	2.877	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)CC)ccc1[O-]	ZINC000582222735	383085911	/nfs/dbraw/zinc/08/59/11/383085911.db2.gz	MHLDXKPGEPGGAK-ABAIWWIYSA-N	-1	0	289.331	2.515	20	30		CFEDRM
C=CCCCCCNC(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC000584419041	383102050	/nfs/dbraw/zinc/10/20/50/383102050.db2.gz	SSNPKZCQAXYHAM-GFCCVEGCSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=CCCCCCNC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]	ZINC000565157992	383176661	/nfs/dbraw/zinc/17/66/61/383176661.db2.gz	PRBOWGNBEPHKCO-STQMWFEESA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCn1c(CC2CC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000565273892	383177776	/nfs/dbraw/zinc/17/77/76/383177776.db2.gz	PJLUINALTWUGNE-UHFFFAOYSA-N	-1	0	284.363	2.591	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C/C=C\C)C(=O)[O-])c1ccccc1	ZINC000555919105	383149972	/nfs/dbraw/zinc/14/99/72/383149972.db2.gz	XWPPDHZIZDNRDQ-QLGVYERUSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634886425	383391942	/nfs/dbraw/zinc/39/19/42/383391942.db2.gz	HXODCYGOMJWTEW-OAHLLOKOSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=C(C)CN(C)C(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634907010	383398949	/nfs/dbraw/zinc/39/89/49/383398949.db2.gz	CQYPEPGTXCSBDQ-MRXNPFEDSA-N	-1	0	293.338	2.593	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634944680	383416110	/nfs/dbraw/zinc/41/61/10/383416110.db2.gz	BZPBMSWTYVVCKF-LSDHHAIUSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCN(C(=O)[C@H]1CCC[C@H]1C(=O)[O-])c1ccccc1	ZINC000634939542	383412982	/nfs/dbraw/zinc/41/29/82/383412982.db2.gz	KJBCARHENPVZAH-UONOGXRCSA-N	-1	0	273.332	2.707	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634941470	383414330	/nfs/dbraw/zinc/41/43/30/383414330.db2.gz	CZMIBJJWUKGYCS-WFASDCNBSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CCCC1	ZINC000634840296	383375481	/nfs/dbraw/zinc/37/54/81/383375481.db2.gz	HTSJOQSLIVXODQ-OLZOCXBDSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2oc(CC)nc2C)s1	ZINC000450608862	383477679	/nfs/dbraw/zinc/47/76/79/383477679.db2.gz	JRHCOIJREVRELD-UHFFFAOYSA-N	-1	0	296.421	2.709	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC2CC(F)(F)C2)s1	ZINC000450609819	383478059	/nfs/dbraw/zinc/47/80/59/383478059.db2.gz	LMUGVEYAIDZEJB-UHFFFAOYSA-N	-1	0	277.365	2.695	20	30		CFEDRM
CC(C)(C)c1n[n-]c(=NCc2ccc(C#N)c(F)c2)s1	ZINC000450909300	383545716	/nfs/dbraw/zinc/54/57/16/383545716.db2.gz	NZAPWARDCJNEDI-UHFFFAOYSA-N	-1	0	290.367	2.880	20	30		CFEDRM
CC(C)n1c(SCc2cccc(F)c2C#N)n[n-]c1=N	ZINC000488257233	383509757	/nfs/dbraw/zinc/50/97/57/383509757.db2.gz	BVIUQBOZJNRSRD-UHFFFAOYSA-N	-1	0	291.355	2.575	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2[nH]1	ZINC000429676730	383557582	/nfs/dbraw/zinc/55/75/82/383557582.db2.gz	SDWKYEIOIAONHS-QMMMGPOBSA-N	-1	0	268.301	2.509	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCN(c2c(Cl)cccc2C#N)C1	ZINC000263433516	383665558	/nfs/dbraw/zinc/66/55/58/383665558.db2.gz	UKLIAWXHSUBPSX-ZDUSSCGKSA-N	-1	0	264.712	2.513	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)C2(CC(C)C)CCCC2)c1C#N	ZINC000431454464	383673073	/nfs/dbraw/zinc/67/30/73/383673073.db2.gz	ACFYUHXEGUFSTA-UHFFFAOYSA-N	-1	0	274.368	2.557	20	30		CFEDRM
C[C@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(C#N)cc1	ZINC000436759803	383890176	/nfs/dbraw/zinc/89/01/76/383890176.db2.gz	GRVJECQJNSRDQX-JTQLQIEISA-N	-1	0	284.290	2.894	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1[n-]nc(C(C)(C)CC)o1	ZINC000641549100	384225163	/nfs/dbraw/zinc/22/51/63/384225163.db2.gz	RGCRLNSHQSSAHR-VXGBXAGGSA-N	-1	0	279.384	2.572	20	30		CFEDRM
C#CCCCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000277309515	384262807	/nfs/dbraw/zinc/26/28/07/384262807.db2.gz	KKGBHODHHNMPLN-UHFFFAOYSA-N	-1	0	255.676	2.927	20	30		CFEDRM
CC#CCCCC(=O)N1CCCc2cccc(O)c21	ZINC000274527826	385817530	/nfs/dbraw/zinc/81/75/30/385817530.db2.gz	QBRUXBGOZZJEEJ-UHFFFAOYSA-N	-1	0	257.333	2.865	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000263231772	533535619	/nfs/dbraw/zinc/53/56/19/533535619.db2.gz	BSNTXUNGIYWUBL-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
CCC(CC)[C@@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000341813062	130073936	/nfs/dbraw/zinc/07/39/36/130073936.db2.gz	PRFWKMAJHPROOW-LLVKDONJSA-N	-1	0	290.411	2.942	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000237573899	131042474	/nfs/dbraw/zinc/04/24/74/131042474.db2.gz	LGZRPRBEHMYRRL-VIFPVBQESA-N	-1	0	297.738	2.958	20	30		CFEDRM
C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	ZINC000262100668	131190963	/nfs/dbraw/zinc/19/09/63/131190963.db2.gz	MBERUMRLMQIYGV-UONOGXRCSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000262916090	131273232	/nfs/dbraw/zinc/27/32/32/131273232.db2.gz	KAVGADVVOTURSI-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)c2n[nH]c(C)c2[O-])CCCC1(C)C	ZINC000683517281	542690213	/nfs/dbraw/zinc/69/02/13/542690213.db2.gz	DRSGDOHWAZVZOU-NSHDSACASA-N	-1	0	277.368	2.631	20	30		CFEDRM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1nccs1	ZINC000683688937	542709571	/nfs/dbraw/zinc/70/95/71/542709571.db2.gz	IQCPTTOPJHLOJP-VIFPVBQESA-N	-1	0	282.328	2.520	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000334181386	393576982	/nfs/dbraw/zinc/57/69/82/393576982.db2.gz	AOEYYPQKCWAZSE-UHFFFAOYSA-N	-1	0	257.692	2.833	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(OCCC(=O)[O-])cc2)nc1	ZINC000193447943	393651802	/nfs/dbraw/zinc/65/18/02/393651802.db2.gz	ZRONXWWLZAGSIU-ORCRQEGFSA-N	-1	0	294.310	2.977	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000412382950	393767812	/nfs/dbraw/zinc/76/78/12/393767812.db2.gz	XHPCMISDUYFNNG-NEPJUHHUSA-N	-1	0	299.729	2.648	20	30		CFEDRM
C=CC[C@H](Cc1ccccc1)N=c1[n-]nc(COC)s1	ZINC000413585252	393786064	/nfs/dbraw/zinc/78/60/64/393786064.db2.gz	UOLYTLGFOWKTMC-CYBMUJFWSA-N	-1	0	289.404	2.706	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1OCC(C)C	ZINC000416940265	393945734	/nfs/dbraw/zinc/94/57/34/393945734.db2.gz	ORNZUNUWQHPEEV-GFCCVEGCSA-N	-1	0	296.392	2.765	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1NC(=O)C1(C#N)CCCC1	ZINC000262166257	393953446	/nfs/dbraw/zinc/95/34/46/393953446.db2.gz	OQTVXYDRQPJZSZ-UHFFFAOYSA-N	-1	0	272.304	2.716	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000263293302	393961486	/nfs/dbraw/zinc/96/14/86/393961486.db2.gz	RPGVTEBLVYPIQB-ZOWXZIJZSA-N	-1	0	267.369	2.738	20	30		CFEDRM
N#Cc1ccc2[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)nc2c1	ZINC000123215387	393977831	/nfs/dbraw/zinc/97/78/31/393977831.db2.gz	XVPDSFPMNBZEKW-UHFFFAOYSA-N	-1	0	280.243	2.715	20	30		CFEDRM
CC(=O)c1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000355229602	394061184	/nfs/dbraw/zinc/06/11/84/394061184.db2.gz	DYGCJESHTGMASO-GFCCVEGCSA-N	-1	0	299.355	2.848	20	30		CFEDRM
Cc1nscc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1	ZINC000355240050	394061430	/nfs/dbraw/zinc/06/14/30/394061430.db2.gz	OKKKHTIDRVFNJB-SECBINFHSA-N	-1	0	297.343	2.521	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000281871285	394086405	/nfs/dbraw/zinc/08/64/05/394086405.db2.gz	ZMJDVOIZTXUJOL-SSDOTTSWSA-N	-1	0	273.254	2.894	20	30		CFEDRM
C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000289929338	394225153	/nfs/dbraw/zinc/22/51/53/394225153.db2.gz	VLDLITXNMUQZGT-YUMQZZPRSA-N	-1	0	276.163	2.897	20	30		CFEDRM
CC(C)(C)CC[C@@H](NC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000449139633	394226365	/nfs/dbraw/zinc/22/63/65/394226365.db2.gz	AOAZLMRZXNQRQJ-CYBMUJFWSA-N	-1	0	288.347	2.568	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]c2ccccc2)c1C#N	ZINC000137184507	394237753	/nfs/dbraw/zinc/23/77/53/394237753.db2.gz	GWYPKFDIQJRFTF-UHFFFAOYSA-N	-1	0	272.329	2.668	20	30		CFEDRM
N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(C2CC2)cs1	ZINC000647378918	395320274	/nfs/dbraw/zinc/32/02/74/395320274.db2.gz	NDQUYRVJQPGPMX-NSHDSACASA-N	-1	0	282.328	2.710	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(C(=O)[O-])cc1Cl	ZINC000647447972	395333851	/nfs/dbraw/zinc/33/38/51/395333851.db2.gz	LBMVMXVJDRKUFE-CABZTGNLSA-N	-1	0	296.754	2.826	20	30		CFEDRM
C=CCCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000656783185	413222183	/nfs/dbraw/zinc/22/21/83/413222183.db2.gz	OAAWPOORPOFIBF-UHFFFAOYSA-N	-1	0	277.349	2.994	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000653531287	413350563	/nfs/dbraw/zinc/35/05/63/413350563.db2.gz	GQJNZJNEFTWVAV-LLVKDONJSA-N	-1	0	270.373	2.531	20	30		CFEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cncc([O-])c1	ZINC000346223246	162356736	/nfs/dbraw/zinc/35/67/36/162356736.db2.gz	QJOISRZORSMJSF-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
N#Cc1ccsc1[N-]C(=O)c1cc(-c2ccccn2)no1	ZINC000353532340	163387170	/nfs/dbraw/zinc/38/71/70/163387170.db2.gz	GVNDBMUHCDHBRA-UHFFFAOYSA-N	-1	0	296.311	2.922	20	30		CFEDRM
C=CCn1c([C@@]2(C)CCCO2)n[n-]c1=Nc1ccccc1C	ZINC000651513526	413507488	/nfs/dbraw/zinc/50/74/88/413507488.db2.gz	TZDVJMLRGGTWRO-QGZVFWFLSA-N	-1	0	298.390	2.964	20	30		CFEDRM
Cc1csc(NC(=O)CC2(C(=O)[O-])CCCC2)c1C#N	ZINC000285215767	196224314	/nfs/dbraw/zinc/22/43/14/196224314.db2.gz	SBSLZXDZJUVYSH-UHFFFAOYSA-N	-1	0	292.360	2.902	20	30		CFEDRM
CCCC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000035663926	172343568	/nfs/dbraw/zinc/34/35/68/172343568.db2.gz	ZWBYRYINDUVRQD-NSHDSACASA-N	-1	0	277.280	2.522	20	30		CFEDRM
C=CCCCCCNC(=O)C(CC)(CC)C(=O)[O-]	ZINC000655556833	414324773	/nfs/dbraw/zinc/32/47/73/414324773.db2.gz	ODROWMLBNQHQGH-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(C(=O)[O-])c1	ZINC000659165930	414460216	/nfs/dbraw/zinc/46/02/16/414460216.db2.gz	CFJWGAZEWLBQHK-AAEUAGOBSA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccn1	ZINC000659168551	414460229	/nfs/dbraw/zinc/46/02/29/414460229.db2.gz	XJGDRASXMNXROQ-WCQYABFASA-N	-1	0	288.347	2.645	20	30		CFEDRM
C=CCCCCCNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000655880219	414487398	/nfs/dbraw/zinc/48/73/98/414487398.db2.gz	USAOPWWMOZLTSF-UHFFFAOYSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CCCC1(CNC(=O)N[C@@H](C(=O)[O-])C2CC2)CCCC1	ZINC000656588493	414610653	/nfs/dbraw/zinc/61/06/53/414610653.db2.gz	MIJOZLAQYHCFJY-CYBMUJFWSA-N	-1	0	294.395	2.675	20	30		CFEDRM
C=CCCC1(CNC(=O)NC2(C(=O)[O-])CCC2)CCCC1	ZINC000656589137	414611032	/nfs/dbraw/zinc/61/10/32/414611032.db2.gz	ZOHVTESTIJQTLY-UHFFFAOYSA-N	-1	0	294.395	2.820	20	30		CFEDRM
C=CCCNC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-]	ZINC000656588378	414611057	/nfs/dbraw/zinc/61/10/57/414611057.db2.gz	KMHAUMQOULZJGC-UONOGXRCSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)C(CC)(CC)C(=O)[O-])C1	ZINC000663126319	414654018	/nfs/dbraw/zinc/65/40/18/414654018.db2.gz	HFJPZQSMGDXVAY-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccccc1Br	ZINC000076769375	177086691	/nfs/dbraw/zinc/08/66/91/177086691.db2.gz	SXCNUONLXNJVDQ-UHFFFAOYSA-N	-1	0	284.153	2.522	20	30		CFEDRM
N#CC(=C([O-])c1ccc2ccccc2n1)c1ccncn1	ZINC000354465864	227003991	/nfs/dbraw/zinc/00/39/91/227003991.db2.gz	IODVQIAPYAKSBK-LBPRGKRZSA-N	-1	0	274.283	2.515	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C(C)C)n1	ZINC000353639481	228136585	/nfs/dbraw/zinc/13/65/85/228136585.db2.gz	WDWFWEILYYEGJG-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ns1	ZINC000447610727	260079899	/nfs/dbraw/zinc/07/98/99/260079899.db2.gz	IPHMXSWNWWSAGY-SECBINFHSA-N	-1	0	297.343	2.521	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc2ccc(C)nc21	ZINC000088485588	260232760	/nfs/dbraw/zinc/23/27/60/260232760.db2.gz	BFXDWJJVJOEPGR-GFCCVEGCSA-N	-1	0	289.360	2.587	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CC(=O)[O-])Cc1ccccc1	ZINC000238140998	260723984	/nfs/dbraw/zinc/72/39/84/260723984.db2.gz	FOYCVDYQYOESOO-UHFFFAOYSA-N	-1	0	287.359	2.868	20	30		CFEDRM
C=CCSCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000178193711	261378466	/nfs/dbraw/zinc/37/84/66/261378466.db2.gz	KNYLSFVILPNHSJ-UHFFFAOYSA-N	-1	0	289.759	2.834	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3c2cccc3F)cc1[O-]	ZINC000188802412	262330885	/nfs/dbraw/zinc/33/08/85/262330885.db2.gz	LDDIQGULDIAMFY-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
C=C(CNC(=O)NCCCCCC(=O)[O-])c1ccccc1	ZINC000414610798	263009621	/nfs/dbraw/zinc/00/96/21/263009621.db2.gz	NUQUFDBJKHAYCK-UHFFFAOYSA-N	-1	0	290.363	2.644	20	30		CFEDRM
CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000277866139	263044134	/nfs/dbraw/zinc/04/41/34/263044134.db2.gz	BHDLIHSHLCHSMR-JTQLQIEISA-N	-1	0	284.718	2.853	20	30		CFEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000282897550	263079389	/nfs/dbraw/zinc/07/93/89/263079389.db2.gz	ANXLTIIKFTYXDQ-KRTXAFLBSA-N	-1	0	299.783	2.704	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1cccc(Cl)c1[O-]	ZINC000285661487	263095026	/nfs/dbraw/zinc/09/50/26/263095026.db2.gz	DGMKQJZDDGKKCM-LBPRGKRZSA-N	-1	0	252.701	2.924	20	30		CFEDRM
N#CCN(Cc1cc(Cl)c(F)cc1[O-])C1CC1	ZINC000295427602	263177620	/nfs/dbraw/zinc/17/76/20/263177620.db2.gz	SVMCTLASAPDMOG-UHFFFAOYSA-N	-1	0	254.692	2.673	20	30		CFEDRM
C[C@H](C#N)CN(C)Cc1cc(Cl)c(F)cc1[O-]	ZINC000295495426	263178243	/nfs/dbraw/zinc/17/82/43/263178243.db2.gz	XZPIKNSEQZCFAL-MRVPVSSYSA-N	-1	0	256.708	2.776	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000331011317	264107292	/nfs/dbraw/zinc/10/72/92/264107292.db2.gz	VVIRALVRKZXACZ-ZDUSSCGKSA-N	-1	0	267.398	2.798	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C)C2)s1	ZINC000331280861	264171400	/nfs/dbraw/zinc/17/14/00/264171400.db2.gz	BVIRWPKHNHJJBE-JGVFFNPUSA-N	-1	0	286.426	2.587	20	30		CFEDRM
CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H](C)O	ZINC000331359972	264209024	/nfs/dbraw/zinc/20/90/24/264209024.db2.gz	XFEVUHRHFJPEIL-LDWIPMOCSA-N	-1	0	275.707	2.649	20	30		CFEDRM
Cc1nn(C)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000080457223	264395720	/nfs/dbraw/zinc/39/57/20/264395720.db2.gz	QNIZQGPDEOVNMU-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
C[C@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1[O-]	ZINC000094062290	265213280	/nfs/dbraw/zinc/21/32/80/265213280.db2.gz	TVXAAMJMIKDYFI-MRVPVSSYSA-N	-1	0	274.707	2.841	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1	ZINC000356279570	266087383	/nfs/dbraw/zinc/08/73/83/266087383.db2.gz	XZAHGOSZEBJFCL-UHFFFAOYSA-N	-1	0	297.270	2.619	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2sc(C)nc2C)s1	ZINC000358005108	266396664	/nfs/dbraw/zinc/39/66/64/266396664.db2.gz	QHIFHWJDDCNEAT-UHFFFAOYSA-N	-1	0	298.462	2.924	20	30		CFEDRM
C=CCCC1(C(=O)N=c2nc(C(C)(C)C)[n-]s2)CC1	ZINC000358933609	266509446	/nfs/dbraw/zinc/50/94/46/266509446.db2.gz	LXJMHUDFVABNJI-UHFFFAOYSA-N	-1	0	279.409	2.942	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000118911973	267280479	/nfs/dbraw/zinc/28/04/79/267280479.db2.gz	BJAOOHOHIHNQDG-VIFPVBQESA-N	-1	0	282.328	2.818	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)CC2(C(=O)[O-])CCCC2)c1	ZINC000308098238	267304229	/nfs/dbraw/zinc/30/42/29/267304229.db2.gz	ZPRNSMLBLLVBCC-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)nc1)c1nccc2ccccc21	ZINC000361540523	268048597	/nfs/dbraw/zinc/04/85/97/268048597.db2.gz	JCUJZAFLAPWGND-MRXNPFEDSA-N	-1	0	298.305	2.992	20	30		CFEDRM
COc1ccc(C#N)c(-c2cc(C)cc(C(=O)[O-])c2)n1	ZINC001243181558	782041674	/nfs/dbraw/zinc/04/16/74/782041674.db2.gz	RTRBGHMSCPPDOC-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(CC#N)nc2)c1	ZINC001243182471	782044384	/nfs/dbraw/zinc/04/43/84/782044384.db2.gz	PAJOPOWEDWPUJU-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)c1ncccc1[O-]	ZINC000123452138	280633189	/nfs/dbraw/zinc/63/31/89/280633189.db2.gz	JJGWOZOTFBMRGT-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
CN(CCCC(=O)[O-])c1ccc(C#N)cc1Br	ZINC000213303679	289614458	/nfs/dbraw/zinc/61/44/58/289614458.db2.gz	ZRBJALZRSXKEMX-UHFFFAOYSA-N	-1	0	297.152	2.622	20	30		CFEDRM
N#Cc1sccc1-c1nc2n(c1C(=O)[O-])CCCC2	ZINC000563436837	290150892	/nfs/dbraw/zinc/15/08/92/290150892.db2.gz	RCMMPFKMMAQHQQ-UHFFFAOYSA-N	-1	0	273.317	2.518	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])cc1C	ZINC001243200840	782060723	/nfs/dbraw/zinc/06/07/23/782060723.db2.gz	PDTZPPIRDBKYQO-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243202192	782061814	/nfs/dbraw/zinc/06/18/14/782061814.db2.gz	LDBUALBTJFIBTQ-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1cnc(-c2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001243202395	782062324	/nfs/dbraw/zinc/06/23/24/782062324.db2.gz	SPAWHJHSLCZBCJ-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1nc2c(cc1C#N)CCCC2(C)C	ZINC000416425052	298314654	/nfs/dbraw/zinc/31/46/54/298314654.db2.gz	GXNPMMNSKZJSJT-SNVBAGLBSA-N	-1	0	287.363	2.842	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1cc(C#N)ccc1C(F)(F)F	ZINC000416426640	533699614	/nfs/dbraw/zinc/69/96/14/533699614.db2.gz	MZHPWYGCGVGXQQ-SSDOTTSWSA-N	-1	0	272.226	2.852	20	30		CFEDRM
Cc1cc(-c2cc(F)cnc2C#N)ccc1C(=O)[O-]	ZINC001243214419	782075374	/nfs/dbraw/zinc/07/53/74/782075374.db2.gz	IYEYERQLORGDQL-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(C(=O)[O-])c(C)c1	ZINC001243212879	782074267	/nfs/dbraw/zinc/07/42/67/782074267.db2.gz	VERPLCSYJAGVMY-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(-c2cncc(CC#N)c2)ccc1C(=O)[O-]	ZINC001243214892	782076938	/nfs/dbraw/zinc/07/69/38/782076938.db2.gz	KFZOSVUJEPMXJH-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
C=C1CCN(Cc2nc3cc(C(=O)[O-])ccc3n2CC)CC1	ZINC000563280252	328007271	/nfs/dbraw/zinc/00/72/71/328007271.db2.gz	NJXUTYGRMWZZHU-UHFFFAOYSA-N	-1	0	299.374	2.906	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1CN=c1[n-]nc(-c2ccccc2)s1	ZINC000425286926	328081243	/nfs/dbraw/zinc/08/12/43/328081243.db2.gz	VFHNGLNDEHWLQZ-STQMWFEESA-N	-1	0	287.388	2.630	20	30		CFEDRM
CC(C)N(CCC#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000571150066	328088231	/nfs/dbraw/zinc/08/82/31/328088231.db2.gz	NSIDHMSDRCMUAL-UHFFFAOYSA-N	-1	0	284.718	2.949	20	30		CFEDRM
C=CCCCCC[N-]S(=O)(=O)[C@H](C)C(F)(F)F	ZINC000571418065	328120704	/nfs/dbraw/zinc/12/07/04/328120704.db2.gz	ROCKTXUFBSEHMW-SECBINFHSA-N	-1	0	273.320	2.603	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1cccc(C#N)c1	ZINC000048518667	328309575	/nfs/dbraw/zinc/30/95/75/328309575.db2.gz	UZEJEAIGZJALON-FPLPWBNLSA-N	-1	0	292.360	2.658	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1OC	ZINC000048518510	328309627	/nfs/dbraw/zinc/30/96/27/328309627.db2.gz	QONXPQGYPGQEFM-MDZDMXLPSA-N	-1	0	297.376	2.795	20	30		CFEDRM
Cc1ccc(C=CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418096	328361420	/nfs/dbraw/zinc/36/14/20/328361420.db2.gz	BHOSHTZYPDUSOH-CMDGGOBGSA-N	-1	0	267.350	2.703	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1cccc(F)c1	ZINC000049417874	328361488	/nfs/dbraw/zinc/36/14/88/328361488.db2.gz	VMQQWYXEZMYVGI-VOTSOKGWSA-N	-1	0	271.313	2.534	20	30		CFEDRM
C[C@H]1CCN(c2c(C#N)cnc3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000575802124	322729691	/nfs/dbraw/zinc/72/96/91/322729691.db2.gz	DOHLNNZFIVROMG-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[O-]	ZINC000188214421	324011021	/nfs/dbraw/zinc/01/10/21/324011021.db2.gz	WTYTTXILJDFXOM-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)nc2ccccc12	ZINC000387292193	324490325	/nfs/dbraw/zinc/49/03/25/324490325.db2.gz	ONPVIERZTMYMAV-GFCCVEGCSA-N	-1	0	295.342	2.798	20	30		CFEDRM
N#Cc1ccc2nc(NCCCCCC(=O)[O-])ccc2c1	ZINC000582230171	325187692	/nfs/dbraw/zinc/18/76/92/325187692.db2.gz	IZWPOQWMXDERBS-UHFFFAOYSA-N	-1	0	283.331	2.585	20	30		CFEDRM
C[C@H]1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C(=O)[O-]	ZINC000582845284	325238701	/nfs/dbraw/zinc/23/87/01/325238701.db2.gz	OBFSPJNLASKEAI-JOYOIKCWSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1	ZINC000345753124	328567476	/nfs/dbraw/zinc/56/74/76/328567476.db2.gz	UAPZPEYWKGAZMB-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
C=CCN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000583999641	326839963	/nfs/dbraw/zinc/83/99/63/326839963.db2.gz	SCHORAASHIDGAE-LLVKDONJSA-N	-1	0	257.692	2.723	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2nc3c(s2)CCC3)n1	ZINC000557323216	327001710	/nfs/dbraw/zinc/00/17/10/327001710.db2.gz	WEHOJROPLOMXDQ-QMMMGPOBSA-N	-1	0	289.385	2.887	20	30		CFEDRM
CO[C@H]1CCCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000132368014	327463840	/nfs/dbraw/zinc/46/38/40/327463840.db2.gz	JOQZWXBEOXOJTD-YJCJMUBCSA-N	-1	0	278.308	2.677	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccc(F)cc1	ZINC000042344441	328768268	/nfs/dbraw/zinc/76/82/68/328768268.db2.gz	GEWBOWHLNHMSLF-RMKNXTFCSA-N	-1	0	285.340	2.925	20	30		CFEDRM
C=CCN(CC=C)C(=O)CCc1ccccc1C(=O)[O-]	ZINC000262250748	330002876	/nfs/dbraw/zinc/00/28/76/330002876.db2.gz	VKAHRSOARCDYRE-UHFFFAOYSA-N	-1	0	273.332	2.518	20	30		CFEDRM
C#CC[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000262443055	330013273	/nfs/dbraw/zinc/01/32/73/330013273.db2.gz	CWEKXTMVPYNRQZ-CQSZACIVSA-N	-1	0	285.343	2.512	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC000262475505	330016013	/nfs/dbraw/zinc/01/60/13/330016013.db2.gz	ZPYYDCVSSGFKLV-LBPRGKRZSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000262793538	330031841	/nfs/dbraw/zinc/03/18/41/330031841.db2.gz	CAONXXRGIVUFBX-AGIUHOORSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1(CCOCC)CCCC1)C(=O)[O-]	ZINC000262994054	330038132	/nfs/dbraw/zinc/03/81/32/330038132.db2.gz	VOEVOWDCPRWUHW-ZDUSSCGKSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C=C)c1ccccc1)C(=O)[O-]	ZINC000263042293	330040228	/nfs/dbraw/zinc/04/02/28/330040228.db2.gz	ZSVAHFWCOVSHJT-UKRRQHHQSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1	ZINC000263157127	330046320	/nfs/dbraw/zinc/04/63/20/330046320.db2.gz	ZNLLSCQZRABOQJ-CQSZACIVSA-N	-1	0	261.321	2.512	20	30		CFEDRM
C=CCOc1cccc(NC(=O)CC2(C(=O)[O-])CCC2)c1	ZINC000263266183	330051073	/nfs/dbraw/zinc/05/10/73/330051073.db2.gz	KYHOAABQUNAMPT-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000263321773	330052221	/nfs/dbraw/zinc/05/22/21/330052221.db2.gz	NRBDCCHESKVLNI-UHFFFAOYSA-N	-1	0	261.321	2.731	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@@H](C/C=C/C)C(=O)[O-])c1ccccc1	ZINC000263312508	330052264	/nfs/dbraw/zinc/05/22/64/330052264.db2.gz	XWPPDHZIZDNRDQ-YTRREALPSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1c(F)cccc1F)C(=O)[O-]	ZINC000263554825	330059362	/nfs/dbraw/zinc/05/93/62/330059362.db2.gz	YHUQJXXYWWFUJS-SKDRFNHKSA-N	-1	0	297.301	2.604	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1nc(Cl)ccc1O)OCC	ZINC000279695233	330123901	/nfs/dbraw/zinc/12/39/01/330123901.db2.gz	ISVUAACBIMVZHW-SNVBAGLBSA-N	-1	0	284.743	2.750	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2o1	ZINC000429672290	330551945	/nfs/dbraw/zinc/55/19/45/330551945.db2.gz	QQQOAIVVSAVNDV-MRVPVSSYSA-N	-1	0	269.285	2.774	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1cccs1	ZINC000448997547	330890595	/nfs/dbraw/zinc/89/05/95/330890595.db2.gz	UWGHUODZETWUCN-GFCCVEGCSA-N	-1	0	279.361	2.758	20	30		CFEDRM
C=CCOCCCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000449004373	330890753	/nfs/dbraw/zinc/89/07/53/330890753.db2.gz	QQBWUKIADNGOEI-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CCCC1	ZINC000451509918	331031988	/nfs/dbraw/zinc/03/19/88/331031988.db2.gz	XHVMGRFASKISEE-JTQLQIEISA-N	-1	0	295.408	2.742	20	30		CFEDRM
C=C(CC)CNC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000456813157	331205062	/nfs/dbraw/zinc/20/50/62/331205062.db2.gz	PMSDNZHOQBTZOT-UHFFFAOYSA-N	-1	0	257.692	2.881	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1	ZINC000488370320	332002389	/nfs/dbraw/zinc/00/23/89/332002389.db2.gz	GTJGJXQVSZBBLC-JTQLQIEISA-N	-1	0	294.424	2.830	20	30		CFEDRM
C#C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1F	ZINC000491219300	332168049	/nfs/dbraw/zinc/16/80/49/332168049.db2.gz	DHCKDXPPHUATPS-VIFPVBQESA-N	-1	0	279.620	2.832	20	30		CFEDRM
C#C[C@@H](CC)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000491317134	332189196	/nfs/dbraw/zinc/18/91/96/332189196.db2.gz	ZQRLVAYHJSPXSS-IXIHQHOXSA-N	-1	0	266.684	2.785	20	30		CFEDRM
C#C[C@@H](N=c1nc(C2CC2)[n-]s1)c1ccc(F)cc1	ZINC000491672623	332279104	/nfs/dbraw/zinc/27/91/04/332279104.db2.gz	PSTUICQNZGQCJT-GFCCVEGCSA-N	-1	0	273.336	2.763	20	30		CFEDRM
C#C[C@@H](NC(=O)c1cccc(O)c1)c1ccc(F)cc1	ZINC000491709918	332301946	/nfs/dbraw/zinc/30/19/46/332301946.db2.gz	XOQZLURUYMWVCU-OAHLLOKOSA-N	-1	0	269.275	2.636	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C\SCc1ccco1)C(=O)[O-]	ZINC000493350019	332436518	/nfs/dbraw/zinc/43/65/18/332436518.db2.gz	IAWNXSMMGAAZKD-ZVTBTPLYSA-N	-1	0	295.360	2.562	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)c(C)o1	ZINC000193358136	333248676	/nfs/dbraw/zinc/24/86/76/333248676.db2.gz	KIVCNNWCMJJLNR-UHFFFAOYSA-N	-1	0	290.344	2.763	20	30		CFEDRM
C=CCC[C@H](NC(=O)/C=C\c1ccc(C)cc1)C(=O)[O-]	ZINC000316356053	333388718	/nfs/dbraw/zinc/38/87/18/333388718.db2.gz	PGXDSEMBQGOEAS-BMSUMIBZSA-N	-1	0	273.332	2.544	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000538576805	333607146	/nfs/dbraw/zinc/60/71/46/333607146.db2.gz	BBQBIBOPHVKMCU-CYBMUJFWSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCCCCNC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]	ZINC000565157991	334541421	/nfs/dbraw/zinc/54/14/21/334541421.db2.gz	PRBOWGNBEPHKCO-QWHCGFSZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1CCCCCCC1)C(=O)[O-]	ZINC000262863694	334575869	/nfs/dbraw/zinc/57/58/69/334575869.db2.gz	IXPBCYNNDIRXBK-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCCc1cccs1)C(=O)[O-]	ZINC000262880609	334576639	/nfs/dbraw/zinc/57/66/39/334576639.db2.gz	KMZKSDFKJWXQMW-GFCCVEGCSA-N	-1	0	281.377	2.606	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000262906857	334578209	/nfs/dbraw/zinc/57/82/09/334578209.db2.gz	MTOACCJHWHVCLA-GFCCVEGCSA-N	-1	0	279.361	2.558	20	30		CFEDRM
CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)co1	ZINC000567029175	334674673	/nfs/dbraw/zinc/67/46/73/334674673.db2.gz	JJYWJFMUBKFQHM-JTQLQIEISA-N	-1	0	294.314	2.993	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1c(C)cc(F)cc1C)C(=O)[O-]	ZINC000568110127	334793007	/nfs/dbraw/zinc/79/30/07/334793007.db2.gz	JLALKBUBKJOUBE-LBPRGKRZSA-N	-1	0	279.311	2.592	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)C[C@@H](C)CC(=O)[O-]	ZINC000579251858	335727954	/nfs/dbraw/zinc/72/79/54/335727954.db2.gz	LFJVZRDZFYVQBR-GFCCVEGCSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N(CCC)[C@@H](CC)C(=O)[O-]	ZINC000579322397	335734276	/nfs/dbraw/zinc/73/42/76/335734276.db2.gz	FHANPOUZKODHJX-RYUDHWBXSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=C(C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000386829836	336180347	/nfs/dbraw/zinc/18/03/47/336180347.db2.gz	HORNUOLHHLFMDW-UHFFFAOYSA-N	-1	0	250.254	2.671	20	30		CFEDRM
Cc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)nc(C#N)n1	ZINC001243323066	782137597	/nfs/dbraw/zinc/13/75/97/782137597.db2.gz	LYUXARFINFJECG-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1ccc(Cl)cc1C([O-])=C(C#N)c1ccncn1	ZINC000354482356	533838754	/nfs/dbraw/zinc/83/87/54/533838754.db2.gz	ZQXHDEYORGAXTP-LLVKDONJSA-N	-1	0	287.706	2.629	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(C#N)c([N+](=O)[O-])c1	ZINC000094592498	519207994	/nfs/dbraw/zinc/20/79/94/519207994.db2.gz	UQJXNGMQTJXFEZ-UHFFFAOYSA-N	-1	0	277.280	2.522	20	30		CFEDRM
CC(C)[C@H](Nc1ccc(C#N)cc1Br)C(=O)[O-]	ZINC000213223020	519821703	/nfs/dbraw/zinc/82/17/03/519821703.db2.gz	HFFMMHJYCGFAQN-NSHDSACASA-N	-1	0	297.152	2.842	20	30		CFEDRM
CCC(CC)(CNc1cc(C#N)cc(C)n1)C(=O)[O-]	ZINC000160910405	521444758	/nfs/dbraw/zinc/44/47/58/521444758.db2.gz	IIALXFOKXIFAIH-UHFFFAOYSA-N	-1	0	261.325	2.565	20	30		CFEDRM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000335125239	524757735	/nfs/dbraw/zinc/75/77/35/524757735.db2.gz	IEEQFPAQFVXBGO-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1nc2ccccc2s1	ZINC000347602267	534851015	/nfs/dbraw/zinc/85/10/15/534851015.db2.gz	WWSUVBVFFUFZFL-SECBINFHSA-N	-1	0	282.328	2.818	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)NCCCCCC(=O)[O-]	ZINC000050436177	526000976	/nfs/dbraw/zinc/00/09/76/526000976.db2.gz	GDTFTTMPAJELGT-UHFFFAOYSA-N	-1	0	289.335	2.633	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)cc1[O-]	ZINC000336378326	526193877	/nfs/dbraw/zinc/19/38/77/526193877.db2.gz	PCNFJAHUHDHAHK-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C[C@H](CC(=O)[O-])Nc1cccc(Br)c1C#N	ZINC000164974070	526252318	/nfs/dbraw/zinc/25/23/18/526252318.db2.gz	DGKSRELBBWPVIP-SSDOTTSWSA-N	-1	0	283.125	2.596	20	30		CFEDRM
C=C(C)CN(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000191626972	526500117	/nfs/dbraw/zinc/50/01/17/526500117.db2.gz	OBMHXSAADSVTIY-NSHDSACASA-N	-1	0	293.388	2.900	20	30		CFEDRM
CC(C)(C)Oc1ccc(NC(=O)CCC(=O)[O-])cc1C#N	ZINC000414100708	526586335	/nfs/dbraw/zinc/58/63/35/526586335.db2.gz	VTBKKROJWKVCPI-UHFFFAOYSA-N	-1	0	290.319	2.539	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)o1	ZINC000334964877	526600463	/nfs/dbraw/zinc/60/04/63/526600463.db2.gz	ZXWNAFBOMBLXEI-UHFFFAOYSA-N	-1	0	280.642	2.902	20	30		CFEDRM
N#Cc1ccccc1/C=C\c1ncc(C(=O)[O-])s1	ZINC000339407934	526736044	/nfs/dbraw/zinc/73/60/44/526736044.db2.gz	QZGHMDLAPZDSMM-WAYWQWQTSA-N	-1	0	256.286	2.883	20	30		CFEDRM
C=CC[C@@H](CC)[N-]S(=O)(=O)c1c(F)cccc1F	ZINC000353176523	527052802	/nfs/dbraw/zinc/05/28/02/527052802.db2.gz	GXGNDNOWLDNNRX-SECBINFHSA-N	-1	0	275.320	2.598	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000416443916	527677306	/nfs/dbraw/zinc/67/73/06/527677306.db2.gz	WPENQXQSEGGAIT-JTQLQIEISA-N	-1	0	295.770	2.720	20	30		CFEDRM
CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2ccncn2)ccn1	ZINC000354464911	529188912	/nfs/dbraw/zinc/18/89/12/529188912.db2.gz	LENFRXGNJHKVIX-AAEUAGOBSA-N	-1	0	296.330	2.539	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1ccc(C(=O)[O-])s1	ZINC000736427742	574051536	/nfs/dbraw/zinc/05/15/36/574051536.db2.gz	SRRHXHSMDPRGEB-UHFFFAOYSA-N	-1	0	294.376	2.848	20	30		CFEDRM
CC(C)CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736427309	574051701	/nfs/dbraw/zinc/05/17/01/574051701.db2.gz	CYSUMHUCAZJJCF-AWEZNQCLSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC(=Nn1cnnc1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727649708	574058349	/nfs/dbraw/zinc/05/83/49/574058349.db2.gz	CYDXLSPXLSXJFU-UHFFFAOYSA-N	-1	0	271.107	2.563	20	30		CFEDRM
C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(C(=O)[O-])c2)C1	ZINC000736772732	574071552	/nfs/dbraw/zinc/07/15/52/574071552.db2.gz	HYBQXLIDGSUFGT-ZBEGNZNMSA-N	-1	0	286.331	2.587	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2cocn2)c1[O-]	ZINC000730732705	574094598	/nfs/dbraw/zinc/09/45/98/574094598.db2.gz	NNGDGTKRYAVKMZ-QLKAYGNNSA-N	-1	0	281.655	2.561	20	30		CFEDRM
CCNC(=S)[N-]c1ccccc1SCCC#N	ZINC000730953073	574104637	/nfs/dbraw/zinc/10/46/37/574104637.db2.gz	MGWNOAZQIOAECF-UHFFFAOYSA-N	-1	0	265.407	2.999	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2cc[nH]c2)ccc1Cl	ZINC000745193571	574106114	/nfs/dbraw/zinc/10/61/14/574106114.db2.gz	ZJEUEENWALZDTQ-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
Cc1nc(Cl)cc(N=NCc2ccccc2C(=O)[O-])n1	ZINC000738858474	574112214	/nfs/dbraw/zinc/11/22/14/574112214.db2.gz	AAZKQBBDIVTPBQ-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
CCOc1ccc(/C=N/Cc2ccc(C(=O)[O-])o2)c(O)c1	ZINC000737198678	574118323	/nfs/dbraw/zinc/11/83/23/574118323.db2.gz	FAYKHADEWOFJFF-LZYBPNLTSA-N	-1	0	289.287	2.701	20	30		CFEDRM
CCCCCCCCNS(=O)(=O)c1cn(CC)cn1	ZINC000754808173	574120332	/nfs/dbraw/zinc/12/03/32/574120332.db2.gz	IOURYQUGXVLPIK-UHFFFAOYSA-N	-1	0	287.429	2.542	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(NC[C@H](C#N)CCC#N)cc1	ZINC000737336260	574136466	/nfs/dbraw/zinc/13/64/66/574136466.db2.gz	OLLWSKBHYLVIIW-NSHDSACASA-N	-1	0	272.308	2.656	20	30		CFEDRM
CN(C(=O)[O-])c1ccc(NC(=O)NCCCCC#N)cc1	ZINC000737333518	574136493	/nfs/dbraw/zinc/13/64/93/574136493.db2.gz	VWOXMGHJOUUZEV-UHFFFAOYSA-N	-1	0	290.323	2.616	20	30		CFEDRM
C=CC[C@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-]	ZINC000235065594	574157244	/nfs/dbraw/zinc/15/72/44/574157244.db2.gz	UVHQMZLKYHRZBE-NSHDSACASA-N	-1	0	261.321	2.696	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NNCc2ccccc2)c1	ZINC000746681559	574162722	/nfs/dbraw/zinc/16/27/22/574162722.db2.gz	DUQKPEKBJMIVDI-UHFFFAOYSA-N	-1	0	298.342	2.664	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NC1CCN(C(=O)[O-])CC1	ZINC000738426062	574168194	/nfs/dbraw/zinc/16/81/94/574168194.db2.gz	SBAGPHDVSXXWSH-UHFFFAOYSA-N	-1	0	279.727	2.766	20	30		CFEDRM
C=CCCC(=O)Nc1cc(OC)ccc1NC(=O)[O-]	ZINC000738489796	574171618	/nfs/dbraw/zinc/17/16/18/574171618.db2.gz	ZGYGYEFCILYYTP-UHFFFAOYSA-N	-1	0	264.281	2.690	20	30		CFEDRM
C=CCCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738489803	574171695	/nfs/dbraw/zinc/17/16/95/574171695.db2.gz	ZNBOLJULATWCIG-UHFFFAOYSA-N	-1	0	260.293	2.632	20	30		CFEDRM
C=CCSCCNC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738505663	574172085	/nfs/dbraw/zinc/17/20/85/574172085.db2.gz	PUADFNRZLYMVBG-UHFFFAOYSA-N	-1	0	298.339	2.565	20	30		CFEDRM
C[C@H](CC#N)OC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738891540	574189512	/nfs/dbraw/zinc/18/95/12/574189512.db2.gz	DHMRKEWYHDXETI-DGCLKSJQSA-N	-1	0	290.319	2.621	20	30		CFEDRM
C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000739039273	574194241	/nfs/dbraw/zinc/19/42/41/574194241.db2.gz	ZPKYLYSNUBQMBJ-MNOVXSKESA-N	-1	0	291.326	2.888	20	30		CFEDRM
N#Cc1ccc(COC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000739118497	574199132	/nfs/dbraw/zinc/19/91/32/574199132.db2.gz	TUAFKYRJRHVTRV-UHFFFAOYSA-N	-1	0	281.267	2.613	20	30		CFEDRM
N#Cc1ccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1	ZINC000739118384	574199303	/nfs/dbraw/zinc/19/93/03/574199303.db2.gz	RGJHORUSRNPHHB-UHFFFAOYSA-N	-1	0	298.273	2.577	20	30		CFEDRM
N#Cc1cccc(COC(=O)c2ccccc2C(=O)[O-])c1	ZINC000739133640	574199583	/nfs/dbraw/zinc/19/95/83/574199583.db2.gz	LSDHNWGEVHZKKO-UHFFFAOYSA-N	-1	0	281.267	2.613	20	30		CFEDRM
N#Cc1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1	ZINC000739132804	574199695	/nfs/dbraw/zinc/19/96/95/574199695.db2.gz	TVAGDRXZYDDBQR-ZROIWOOFSA-N	-1	0	250.257	2.578	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1	ZINC000739329208	574208359	/nfs/dbraw/zinc/20/83/59/574208359.db2.gz	HCCWPPHNWNDAFR-CYBMUJFWSA-N	-1	0	284.400	2.948	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)o1	ZINC000733206299	574210833	/nfs/dbraw/zinc/21/08/33/574210833.db2.gz	GGXJNXGABVHJEL-SREVYHEPSA-N	-1	0	286.283	2.948	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C/c2cccc3nccn32)cs1	ZINC000756257250	574219572	/nfs/dbraw/zinc/21/95/72/574219572.db2.gz	FCCHMYCRXFHBFQ-SNAWJCMRSA-N	-1	0	298.323	2.990	20	30		CFEDRM
CN(C[C@@H]1CCCN(c2cccc(F)c2C#N)C1)C(=O)[O-]	ZINC000739646465	574221550	/nfs/dbraw/zinc/22/15/50/574221550.db2.gz	VNJUMTLVPBCNID-NSHDSACASA-N	-1	0	291.326	2.524	20	30		CFEDRM
COc1ccc(NC[C@@H](C#N)CCC#N)cc1NC(=O)[O-]	ZINC000739924639	574229897	/nfs/dbraw/zinc/22/98/97/574229897.db2.gz	DNGJGQWCQDFPRJ-SNVBAGLBSA-N	-1	0	288.307	2.641	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)CCN(C(=O)[O-])C(C)C	ZINC000740104592	574235965	/nfs/dbraw/zinc/23/59/65/574235965.db2.gz	AGBDBIHVQKMCIF-UHFFFAOYSA-N	-1	0	289.335	2.584	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2ccc(F)cc2F)c1	ZINC000740160268	574240420	/nfs/dbraw/zinc/24/04/20/574240420.db2.gz	ISGFICDDKLCZAH-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
N#Cc1cc(F)c(NCC[C@H]2CCN(C(=O)[O-])C2)c(F)c1	ZINC000740310945	574246487	/nfs/dbraw/zinc/24/64/87/574246487.db2.gz	LHRPKVXPRUIXAH-VIFPVBQESA-N	-1	0	295.289	2.638	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NC[C@@H]1CCCN1C(=O)[O-]	ZINC000740315025	574246743	/nfs/dbraw/zinc/24/67/43/574246743.db2.gz	JPRWNEOQMVNOIU-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccccc1NC(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000740324058	574247219	/nfs/dbraw/zinc/24/72/19/574247219.db2.gz	SXEWOAFFIYHXJX-UHFFFAOYSA-N	-1	0	295.298	2.829	20	30		CFEDRM
N#Cc1cccc(COC(=O)c2cc(F)c([O-])c(F)c2)c1	ZINC000748484114	574255303	/nfs/dbraw/zinc/25/53/03/574255303.db2.gz	XJSUVIDAGQTSHS-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1O	ZINC000740631062	574259541	/nfs/dbraw/zinc/25/95/41/574259541.db2.gz	WTUZHCVOXNHSEE-BGYDPHNSSA-N	-1	0	276.336	2.638	20	30		CFEDRM
O=C([O-])Nc1ccc(N=Cc2cccc(O)c2O)cc1	ZINC000740704037	574263637	/nfs/dbraw/zinc/26/36/37/574263637.db2.gz	STHSGCHXHOLZIL-UHFFFAOYSA-N	-1	0	272.260	2.938	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@H](C)c2ccc(F)cc2)n1	ZINC000756872868	574270285	/nfs/dbraw/zinc/27/02/85/574270285.db2.gz	LYNXXHZZDDLFSW-VIFPVBQESA-N	-1	0	274.299	2.831	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cccnc1C	ZINC000756899365	574271290	/nfs/dbraw/zinc/27/12/90/574271290.db2.gz	YGTJNSCAQILDBV-UHFFFAOYSA-N	-1	0	285.303	2.543	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@H]1C	ZINC000756901723	574271622	/nfs/dbraw/zinc/27/16/22/574271622.db2.gz	YPRROTHDKNDDPT-SECBINFHSA-N	-1	0	262.309	2.981	20	30		CFEDRM
COc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1C#N	ZINC000737980131	574304019	/nfs/dbraw/zinc/30/40/19/574304019.db2.gz	AEBUJUNTZLSQNO-NTEUORMPSA-N	-1	0	280.283	2.587	20	30		CFEDRM
C[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1	ZINC000749845086	574312645	/nfs/dbraw/zinc/31/26/45/574312645.db2.gz	OUEFLGGFDGFPFT-JDAJCMJVSA-N	-1	0	285.303	2.918	20	30		CFEDRM
N#Cc1cccc(NN=Cc2cc(F)c([O-])c(F)c2)c1	ZINC000749857955	574312962	/nfs/dbraw/zinc/31/29/62/574312962.db2.gz	HEQIFSDQUJRMGO-UHFFFAOYSA-N	-1	0	273.242	2.988	20	30		CFEDRM
O=C1c2ccccc2O/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000742436155	574330423	/nfs/dbraw/zinc/33/04/23/574330423.db2.gz	IHUBHUJEOUGOKP-RIYZIHGNSA-N	-1	0	283.239	2.917	20	30		CFEDRM
N#Cc1ccccc1COC(=O)c1c(F)cc([O-])cc1F	ZINC000735950202	574343605	/nfs/dbraw/zinc/34/36/05/574343605.db2.gz	MEUUVYXHWQQCSM-UHFFFAOYSA-N	-1	0	289.237	2.899	20	30		CFEDRM
N#CCCCCOC(=O)c1cccc(NC(=O)[O-])c1	ZINC000739069544	574344242	/nfs/dbraw/zinc/34/42/42/574344242.db2.gz	SFNPRHIEWCADHO-UHFFFAOYSA-N	-1	0	262.265	2.627	20	30		CFEDRM
C=CCCCNc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000736102424	574349758	/nfs/dbraw/zinc/34/97/58/574349758.db2.gz	GTDWVDKZJGUDEP-UHFFFAOYSA-N	-1	0	265.309	2.780	20	30		CFEDRM
C#CCN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000736077216	574349883	/nfs/dbraw/zinc/34/98/83/574349883.db2.gz	PIPKWJZTFFZUOR-NSHDSACASA-N	-1	0	272.131	2.684	20	30		CFEDRM
C#CCN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000736077215	574350010	/nfs/dbraw/zinc/35/00/10/574350010.db2.gz	PIPKWJZTFFZUOR-LLVKDONJSA-N	-1	0	272.131	2.684	20	30		CFEDRM
C#CCOc1ccccc1OCc1cc(C(=O)[O-])co1	ZINC000736088595	574350286	/nfs/dbraw/zinc/35/02/86/574350286.db2.gz	WGOUYDQXMXEWEM-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C=CCNc1nc(-c2cc(C(=O)[O-])co2)cs1	ZINC000736109251	574350755	/nfs/dbraw/zinc/35/07/55/574350755.db2.gz	CYYYQMCVZYHUOG-UHFFFAOYSA-N	-1	0	250.279	2.699	20	30		CFEDRM
C#Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1	ZINC000736092656	574350818	/nfs/dbraw/zinc/35/08/18/574350818.db2.gz	IOWPQBOBDPSLJG-UHFFFAOYSA-N	-1	0	299.261	2.544	20	30		CFEDRM
C#Cc1cccc(N(CC)Cc2cc(C(=O)[O-])co2)c1	ZINC000736090986	574350864	/nfs/dbraw/zinc/35/08/64/574350864.db2.gz	MHWPDIDZHIJXHN-UHFFFAOYSA-N	-1	0	269.300	2.986	20	30		CFEDRM
C=C(C)CNC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000736094561	574350882	/nfs/dbraw/zinc/35/08/82/574350882.db2.gz	MJHPXTJITABLKS-UHFFFAOYSA-N	-1	0	284.768	2.901	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC000736096495	574351063	/nfs/dbraw/zinc/35/10/63/574351063.db2.gz	NZMTUAXAJYEKRO-UHFFFAOYSA-N	-1	0	292.310	2.954	20	30		CFEDRM
C=CCCC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-]	ZINC000736097061	574351194	/nfs/dbraw/zinc/35/11/94/574351194.db2.gz	WBCCWQODKZGBCN-CYBMUJFWSA-N	-1	0	261.321	2.849	20	30		CFEDRM
C=CCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1	ZINC000736098117	574351268	/nfs/dbraw/zinc/35/12/68/574351268.db2.gz	RWNHNHGZHSTKQD-LBPRGKRZSA-N	-1	0	268.696	2.975	20	30		CFEDRM
C=CCCCCCN(C)C(=O)N[C@H]1CCCN(C(=O)[O-])C1	ZINC000736097255	574351299	/nfs/dbraw/zinc/35/12/99/574351299.db2.gz	BMNHTMAUTZWANR-ZDUSSCGKSA-N	-1	0	297.399	2.517	20	30		CFEDRM
C=CCn1c2ccccc2nc1SCCC(=O)[O-]	ZINC000736117720	574351575	/nfs/dbraw/zinc/35/15/75/574351575.db2.gz	MIAORJOMUJAJCO-UHFFFAOYSA-N	-1	0	262.334	2.789	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccco3)nc1-2	ZINC000750724621	574352820	/nfs/dbraw/zinc/35/28/20/574352820.db2.gz	OCILSZQLOSJDBG-ZYOFXKKJSA-N	-1	0	292.298	2.749	20	30		CFEDRM
CN1CCc2cc(C=[NH+][N-]c3cccc(C(=O)[O-])c3)ccc21	ZINC000752719586	574393881	/nfs/dbraw/zinc/39/38/81/574393881.db2.gz	ZLBBQGNUIRPCFL-UHFFFAOYSA-N	-1	0	295.342	2.823	20	30		CFEDRM
CC(C)Nc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cn1	ZINC000752817338	574395488	/nfs/dbraw/zinc/39/54/88/574395488.db2.gz	YZFADIWESUHXPR-UHFFFAOYSA-N	-1	0	296.330	2.731	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)s1	ZINC000833071365	601276196	/nfs/dbraw/zinc/27/61/96/601276196.db2.gz	GHRSPFRHPKGLKR-UHFFFAOYSA-N	-1	0	278.314	2.632	20	30		CFEDRM
CC(C)(C#N)CCC[S@](=O)Cc1ccc(C(=O)[O-])cc1	ZINC000817791218	597287457	/nfs/dbraw/zinc/28/74/57/597287457.db2.gz	ANRVYQIUICHHMC-FQEVSTJZSA-N	-1	0	293.388	2.963	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000820954196	597354146	/nfs/dbraw/zinc/35/41/46/597354146.db2.gz	ROMWEKWZNDDFRA-UHFFFAOYSA-N	-1	0	294.310	2.746	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/[C@H](C(=O)[O-])[C@@H](C)CC)c1	ZINC000820387375	597393487	/nfs/dbraw/zinc/39/34/87/597393487.db2.gz	NGLCXRZZSMBVNN-JTAOIJCTSA-N	-1	0	279.336	2.709	20	30		CFEDRM
CSc1ccc(C)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820909902	597609762	/nfs/dbraw/zinc/60/97/62/597609762.db2.gz	INGPLTBVCWDXPL-AWEZNQCLSA-N	-1	0	292.360	2.660	20	30		CFEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cc(F)ccc1F	ZINC000820160907	597611784	/nfs/dbraw/zinc/61/17/84/597611784.db2.gz	KOXBDIMPSRKALJ-RMLUDKJBSA-N	-1	0	297.257	2.574	20	30		CFEDRM
N#Cc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC000821340284	598046614	/nfs/dbraw/zinc/04/66/14/598046614.db2.gz	ASOZXTPZBLVURG-UHFFFAOYSA-N	-1	0	298.273	2.577	20	30		CFEDRM
N#CCCN(Cc1ccco1)C(=O)c1cccc(C(=O)[O-])c1	ZINC000821324404	598142242	/nfs/dbraw/zinc/14/22/42/598142242.db2.gz	DKIIRJJWIZTNNA-UHFFFAOYSA-N	-1	0	298.298	2.534	20	30		CFEDRM
Cc1csc([C@@H](C#N)C(=O)c2cccc(C(=O)[O-])c2)n1	ZINC000821147037	598148487	/nfs/dbraw/zinc/14/84/87/598148487.db2.gz	SSHKNVMCNMUJGS-NSHDSACASA-N	-1	0	286.312	2.640	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)cc2)s1	ZINC000042317389	620641393	/nfs/dbraw/zinc/64/13/93/620641393.db2.gz	LAWPKWVAUZRRJR-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
N#Cc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1	ZINC000138223282	598183290	/nfs/dbraw/zinc/18/32/90/598183290.db2.gz	STEYAJMUODVGLM-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
CC(C)c1nc(C#N)c(N=NCc2cccc(C(=O)[O-])c2)o1	ZINC000814820849	598201385	/nfs/dbraw/zinc/20/13/85/598201385.db2.gz	QDIWCKHGJDUUCZ-UHFFFAOYSA-N	-1	0	298.302	2.814	20	30		CFEDRM
Cc1nn(C)c(C)c1C(=O)/C=C/c1cccc(C(=O)[O-])c1	ZINC000126403726	598201674	/nfs/dbraw/zinc/20/16/74/598201674.db2.gz	PRAFJRSLLCFSHP-BQYQJAHWSA-N	-1	0	284.315	2.631	20	30		CFEDRM
N#CCCN(Cc1cccnc1)Cc1cccc(C(=O)[O-])c1	ZINC000314311374	598210286	/nfs/dbraw/zinc/21/02/86/598210286.db2.gz	GFOJOQNEGILWAJ-UHFFFAOYSA-N	-1	0	295.342	2.696	20	30		CFEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1Cl	ZINC000820113879	598222430	/nfs/dbraw/zinc/22/24/30/598222430.db2.gz	HWNNRGKCPJSKAX-LKFCYVNXSA-N	-1	0	294.738	2.522	20	30		CFEDRM
C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1	ZINC000820114840	598222464	/nfs/dbraw/zinc/22/24/64/598222464.db2.gz	QXSUELCHXGZOIE-LKFCYVNXSA-N	-1	0	294.738	2.522	20	30		CFEDRM
Cc1cc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)s1	ZINC000820963808	598224040	/nfs/dbraw/zinc/22/40/40/598224040.db2.gz	VPIRCZMYCIHUEM-XPTSAGLGSA-N	-1	0	294.376	2.547	20	30		CFEDRM
CC(C)(C)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1	ZINC000819811365	598227920	/nfs/dbraw/zinc/22/79/20/598227920.db2.gz	NHGIUBRRFRUOLP-LRDDRELGSA-N	-1	0	294.395	2.666	20	30		CFEDRM
Cc1ccccc1[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-]	ZINC000821120124	598230814	/nfs/dbraw/zinc/23/08/14/598230814.db2.gz	MYWSRSPOJIWFFC-NHYWBVRUSA-N	-1	0	275.304	2.604	20	30		CFEDRM
Cc1cc(COc2ccc(C#N)c(F)c2)oc1C(=O)[O-]	ZINC000133357115	599976266	/nfs/dbraw/zinc/97/62/66/599976266.db2.gz	OZLFMUVCNHXFBT-UHFFFAOYSA-N	-1	0	275.235	2.876	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCc2ccc(F)cc2F)cc1	ZINC000727062648	600005755	/nfs/dbraw/zinc/00/57/55/600005755.db2.gz	XPKMSUAGXJZSGQ-UHFFFAOYSA-N	-1	0	290.269	2.787	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000037827708	600061701	/nfs/dbraw/zinc/06/17/01/600061701.db2.gz	DTSCQXIEVZTTHR-VHSXEESVSA-N	-1	0	299.779	2.637	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000136007902	600266890	/nfs/dbraw/zinc/26/68/90/600266890.db2.gz	GHMVGSYXJVJYGI-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000136021343	600273767	/nfs/dbraw/zinc/27/37/67/600273767.db2.gz	VEGISBHZJOEYTM-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
N#Cc1ccc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl	ZINC000405361735	600282564	/nfs/dbraw/zinc/28/25/64/600282564.db2.gz	FFOWEBLJVPOVBB-GFCCVEGCSA-N	-1	0	290.750	2.903	20	30		CFEDRM
C=CCN(Cc1ccc(C(=O)[O-])o1)CC(F)(F)F	ZINC000688888582	600499873	/nfs/dbraw/zinc/49/98/73/600499873.db2.gz	LRCCXNDIWFVNMR-UHFFFAOYSA-N	-1	0	263.215	2.528	20	30		CFEDRM
O=C([O-])c1occc1/C=C/C(=O)c1ccc2c(c1)COC2	ZINC000833094411	600830255	/nfs/dbraw/zinc/83/02/55/600830255.db2.gz	HKIAFCZKBCACRY-ONEGZZNKSA-N	-1	0	284.267	2.904	20	30		CFEDRM
C=CCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000147237582	600861347	/nfs/dbraw/zinc/86/13/47/600861347.db2.gz	NHKBDEBHIUJTNJ-NSHDSACASA-N	-1	0	259.305	2.558	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)s1	ZINC000833070663	601276644	/nfs/dbraw/zinc/27/66/44/601276644.db2.gz	QAKDZDOPKAVLTK-UHFFFAOYSA-N	-1	0	298.323	2.521	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C/c1ccoc1C(=O)[O-])C2	ZINC000832487158	601294242	/nfs/dbraw/zinc/29/42/42/601294242.db2.gz	UMMNPKKNSSBWGP-YRNVUSSQSA-N	-1	0	284.267	2.809	20	30		CFEDRM
COc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832562660	601297596	/nfs/dbraw/zinc/29/75/96/601297596.db2.gz	PPMYTUGMZQYQSW-OAHLLOKOSA-N	-1	0	282.299	2.805	20	30		CFEDRM
Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])[nH]1)CO2	ZINC000832874139	601331661	/nfs/dbraw/zinc/33/16/61/601331661.db2.gz	HYBAAVYKOLIMBX-YRNVUSSQSA-N	-1	0	297.310	2.988	20	30		CFEDRM
N#Cc1ccc([C@@H](OC(=O)[C@@H]2CC23CCCC3)C(=O)[O-])cc1	ZINC000833071630	601341376	/nfs/dbraw/zinc/34/13/76/601341376.db2.gz	HWVZVXXOUADHMF-UONOGXRCSA-N	-1	0	299.326	2.807	20	30		CFEDRM
CCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829210060	601348945	/nfs/dbraw/zinc/34/89/45/601348945.db2.gz	YHWJSQVJHAXYEG-GWCFXTLKSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CCCCC[C@@H](/N=C\c1c(O)cccc1OC)C(=O)[O-]	ZINC000829311839	601365346	/nfs/dbraw/zinc/36/53/46/601365346.db2.gz	MPHLTYGCGWURCG-YUSFRKCESA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCCCC[C@@H](/N=C\c1cccc(OC)c1O)C(=O)[O-]	ZINC000829312368	601365428	/nfs/dbraw/zinc/36/54/28/601365428.db2.gz	VLKRYRLIBWSDFE-YUSFRKCESA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCCCC[C@@H](/N=C/c1cccc(OC)c1O)C(=O)[O-]	ZINC000829312363	601365505	/nfs/dbraw/zinc/36/55/05/601365505.db2.gz	VLKRYRLIBWSDFE-HMHNVIDESA-N	-1	0	279.336	2.853	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1COc1ccccc1C#N	ZINC000830394589	601388324	/nfs/dbraw/zinc/38/83/24/601388324.db2.gz	IGMHQPMWGUNYBG-UHFFFAOYSA-N	-1	0	271.272	2.991	20	30		CFEDRM
Cc1ncsc1CCON=Cc1ccc(C(=O)[O-])cc1	ZINC000833010661	601402903	/nfs/dbraw/zinc/40/29/03/601402903.db2.gz	TUCRXYLIGAPHIN-UHFFFAOYSA-N	-1	0	290.344	2.743	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(CCC#N)CC1CC1	ZINC000830362463	601420341	/nfs/dbraw/zinc/42/03/41/601420341.db2.gz	ADCBFQSRQNSEQX-UHFFFAOYSA-N	-1	0	276.336	2.666	20	30		CFEDRM
N#CCc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000236432560	601457481	/nfs/dbraw/zinc/45/74/81/601457481.db2.gz	WSRASJIEVPWDKX-HNNXBMFYSA-N	-1	0	266.300	2.990	20	30		CFEDRM
C=CCOc1ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc1	ZINC000237037641	601468227	/nfs/dbraw/zinc/46/82/27/601468227.db2.gz	ZGCOKGVHNHDPCM-INIZCTEOSA-N	-1	0	291.347	2.625	20	30		CFEDRM
Cc1cc(COC(=O)c2ccc(C#N)s2)oc1C(=O)[O-]	ZINC000832885877	601469480	/nfs/dbraw/zinc/46/94/80/601469480.db2.gz	SRPMKWQQYBIVJO-UHFFFAOYSA-N	-1	0	291.284	2.576	20	30		CFEDRM
N#Cc1ccc([C@H](OC(=O)CCC2CCC2)C(=O)[O-])cc1	ZINC000833072798	601469536	/nfs/dbraw/zinc/46/95/36/601469536.db2.gz	QFTRPKYELNLIGX-HNNXBMFYSA-N	-1	0	287.315	2.807	20	30		CFEDRM
CN(C(=O)c1cc(C#N)cs1)c1ccccc1C(=O)[O-]	ZINC000830523299	601530053	/nfs/dbraw/zinc/53/00/53/601530053.db2.gz	IUIMLIOESREKQE-UHFFFAOYSA-N	-1	0	286.312	2.595	20	30		CFEDRM
Cc1c(NC(=O)c2cc(C#N)cs2)cccc1C(=O)[O-]	ZINC000832856983	601532410	/nfs/dbraw/zinc/53/24/10/601532410.db2.gz	XLQSHWIJRYCFDR-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1C(=O)[O-]	ZINC000821033971	601556672	/nfs/dbraw/zinc/55/66/72/601556672.db2.gz	IFAWRIOVXXQQGY-UHFFFAOYSA-N	-1	0	286.312	2.879	20	30		CFEDRM
C[C@@H]1CC/C(=C\C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000828206574	601568738	/nfs/dbraw/zinc/56/87/38/601568738.db2.gz	AXPDNFFFMJYDIW-DBWOGOFASA-N	-1	0	299.326	2.974	20	30		CFEDRM
O=C([O-])N1CCC(=NNCc2cccc(Cl)c2)CC1	ZINC000833278913	601627234	/nfs/dbraw/zinc/62/72/34/601627234.db2.gz	NOYUCOMGSTWUSP-UHFFFAOYSA-N	-1	0	281.743	2.559	20	30		CFEDRM
C=CCCC(=O)OCc1cc(C(=O)[O-])sc1C	ZINC000825664620	601726389	/nfs/dbraw/zinc/72/63/89/601726389.db2.gz	GSINYZPDGFDCPA-UHFFFAOYSA-N	-1	0	254.307	2.764	20	30		CFEDRM
C=C[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000158845026	601752225	/nfs/dbraw/zinc/75/22/25/601752225.db2.gz	RGKAKFSHZHQPIG-ZETCQYMHSA-N	-1	0	268.700	2.734	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000158848303	601757188	/nfs/dbraw/zinc/75/71/88/601757188.db2.gz	GRYYPOUCRDXOSX-SSDOTTSWSA-N	-1	0	268.700	2.734	20	30		CFEDRM
COc1ccc2c(c1)CC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832493711	601791304	/nfs/dbraw/zinc/79/13/04/601791304.db2.gz	QPZAPIRSQGOVCL-WUXMJOGZSA-N	-1	0	297.310	2.934	20	30		CFEDRM
Cc1cc(C)c2c(c1)OC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832874967	601793019	/nfs/dbraw/zinc/79/30/19/601793019.db2.gz	QVWKBQWJRXFJTM-LFYBBSHMSA-N	-1	0	297.310	2.988	20	30		CFEDRM
N#Cc1c(Cl)nsc1NCc1cccc(C(=O)[O-])c1	ZINC000821324851	601934011	/nfs/dbraw/zinc/93/40/11/601934011.db2.gz	SNSNAAGCKFGEJZ-UHFFFAOYSA-N	-1	0	293.735	2.978	20	30		CFEDRM
Cc1ccnc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000794918685	602076284	/nfs/dbraw/zinc/07/62/84/602076284.db2.gz	JJEBOUBQWGPWSF-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000229758322	602158092	/nfs/dbraw/zinc/15/80/92/602158092.db2.gz	REHDYIRJJADXSK-UHFFFAOYSA-N	-1	0	274.320	2.618	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)C[C@H](C)NC(=O)[O-])c1	ZINC000823480479	602828294	/nfs/dbraw/zinc/82/82/94/602828294.db2.gz	DKYPXTZCGKJPGN-NSHDSACASA-N	-1	0	292.335	2.626	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N(C)CCCNC(=O)[O-]	ZINC000830539550	603191580	/nfs/dbraw/zinc/19/15/80/603191580.db2.gz	VWNWBCYGSNCVBN-UHFFFAOYSA-N	-1	0	298.346	2.509	20	30		CFEDRM
N#Cc1ccc(N[C@@H]2CCCC[C@H]2CNC(=O)[O-])cc1	ZINC000831136824	603197900	/nfs/dbraw/zinc/19/79/00/603197900.db2.gz	KLRFBQSOQAMSOO-GXTWGEPZSA-N	-1	0	273.336	2.797	20	30		CFEDRM
C#C[C@@H](C)OC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823440671	603456426	/nfs/dbraw/zinc/45/64/26/603456426.db2.gz	DLYGLAWQILGUOX-SSDOTTSWSA-N	-1	0	267.668	2.608	20	30		CFEDRM
O=C([O-])Nc1ccc(C=NNc2ccc(Cl)nc2)cn1	ZINC000832840289	603487908	/nfs/dbraw/zinc/48/79/08/603487908.db2.gz	GINLYAQLRJPOCJ-UHFFFAOYSA-N	-1	0	291.698	2.666	20	30		CFEDRM
C=C(C)CCOC(=O)[C@@H](CNC(=O)[O-])c1ccccc1	ZINC000823474815	603518485	/nfs/dbraw/zinc/51/84/85/603518485.db2.gz	RBNHJHAUOJILRZ-ZDUSSCGKSA-N	-1	0	277.320	2.547	20	30		CFEDRM
N#C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C1CC1	ZINC000831070565	603616061	/nfs/dbraw/zinc/61/60/61/603616061.db2.gz	NSDULVJUFOMSHQ-NSHDSACASA-N	-1	0	294.694	2.889	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cccc(F)c1F	ZINC000832451031	603634512	/nfs/dbraw/zinc/63/45/12/603634512.db2.gz	IHRZFSHLHQFMBA-MRVPVSSYSA-N	-1	0	283.278	2.800	20	30		CFEDRM
C=CCOCc1nc(-c2cccc(NC(=O)[O-])c2)no1	ZINC000823516439	603639253	/nfs/dbraw/zinc/63/92/53/603639253.db2.gz	KTHUOMRHAWMSDN-UHFFFAOYSA-N	-1	0	275.264	2.529	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(CCC)[C@H](CC)C(=O)[O-])cc1	ZINC000900355017	620663742	/nfs/dbraw/zinc/66/37/42/620663742.db2.gz	FTBMMBRZJBMJJG-CQSZACIVSA-N	-1	0	288.347	2.775	20	30		CFEDRM
N#CC1(c2nc(-c3cccc(NC(=O)[O-])c3)no2)CCC1	ZINC000831077248	603771098	/nfs/dbraw/zinc/77/10/98/603771098.db2.gz	XWMNKRDPCAZCAU-UHFFFAOYSA-N	-1	0	284.275	2.772	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2ccc(F)cc2)CC1	ZINC000831869666	603856409	/nfs/dbraw/zinc/85/64/09/603856409.db2.gz	QVXQDBNOPKWBLD-UHFFFAOYSA-N	-1	0	265.288	2.613	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2c(F)cccc2F)CC1	ZINC000831868677	603861362	/nfs/dbraw/zinc/86/13/62/603861362.db2.gz	BESBUYDGXAVNIX-UHFFFAOYSA-N	-1	0	283.278	2.753	20	30		CFEDRM
C=CCCCN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000823496924	603901267	/nfs/dbraw/zinc/90/12/67/603901267.db2.gz	SWXGYLDPKWCQST-AGUYFDCRSA-N	-1	0	294.395	2.722	20	30		CFEDRM
C=CCCC(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000823491655	603940352	/nfs/dbraw/zinc/94/03/52/603940352.db2.gz	ZQLDQQRMWCBKNT-UHFFFAOYSA-N	-1	0	260.293	2.632	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1	ZINC000823491523	604035854	/nfs/dbraw/zinc/03/58/54/604035854.db2.gz	WMLGPZDXQTYLEV-CYBMUJFWSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823490718	604048076	/nfs/dbraw/zinc/04/80/76/604048076.db2.gz	KELBXMUWLJRNOR-CQSZACIVSA-N	-1	0	294.395	2.746	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000825274922	604052374	/nfs/dbraw/zinc/05/23/74/604052374.db2.gz	VZCRVURNZWPDIV-JQWIXIFHSA-N	-1	0	291.326	2.570	20	30		CFEDRM
C#CCCCCNC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823441005	604087528	/nfs/dbraw/zinc/08/75/28/604087528.db2.gz	PWWXOFBGYBOBFE-UHFFFAOYSA-N	-1	0	293.298	2.841	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000825636910	604306252	/nfs/dbraw/zinc/30/62/52/604306252.db2.gz	WWWGEGYZDRTXTJ-UHFFFAOYSA-N	-1	0	297.285	2.782	20	30		CFEDRM
C[C@H](CC(=O)OCCCCC#N)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824729405	604416883	/nfs/dbraw/zinc/41/68/83/604416883.db2.gz	QXYSNYOHVLWTJW-OLZOCXBDSA-N	-1	0	296.367	2.640	20	30		CFEDRM
C[C@@H](CC(=O)OCCCCC#N)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824729684	604416994	/nfs/dbraw/zinc/41/69/94/604416994.db2.gz	QXYSNYOHVLWTJW-QWHCGFSZSA-N	-1	0	296.367	2.640	20	30		CFEDRM
C=CCCC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823490646	604443645	/nfs/dbraw/zinc/44/36/45/604443645.db2.gz	INSQUXXSGBVUJE-NSHDSACASA-N	-1	0	276.336	2.598	20	30		CFEDRM
Cc1cc([C@@H](C)OC(=O)C2(C#N)CC(C)C2)oc1C(=O)[O-]	ZINC000832878224	604603462	/nfs/dbraw/zinc/60/34/62/604603462.db2.gz	WMHYLLMFNYEYEO-IXZKOCCXSA-N	-1	0	291.303	2.830	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1cc(C(=O)[O-])ccc1C)OCC	ZINC000833368267	604606711	/nfs/dbraw/zinc/60/67/11/604606711.db2.gz	FPLJQNZEKCHJLX-ZDUSSCGKSA-N	-1	0	292.331	2.970	20	30		CFEDRM
CC1(C)CN(Cc2cccc(C(=O)[O-])c2C#N)CCS1	ZINC000833561896	604613491	/nfs/dbraw/zinc/61/34/91/604613491.db2.gz	XCXSAIMGXGKWFQ-UHFFFAOYSA-N	-1	0	290.388	2.584	20	30		CFEDRM
CC(N=Nc1ccccn1)c1ccc(C(=O)[O-])cc1	ZINC000825809558	604635655	/nfs/dbraw/zinc/63/56/55/604635655.db2.gz	ZIFPGANOHGGALL-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(O)c1C	ZINC000763370683	604666631	/nfs/dbraw/zinc/66/66/31/604666631.db2.gz	SNSIWFRVYUVRSS-UHFFFAOYSA-N	-1	0	299.330	2.938	20	30		CFEDRM
C=CCOc1cccc(CN=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763367484	604667635	/nfs/dbraw/zinc/66/76/35/604667635.db2.gz	FKFOSBKILDMAKF-UHFFFAOYSA-N	-1	0	297.314	2.791	20	30		CFEDRM
Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c(C)o1	ZINC000763369027	604668482	/nfs/dbraw/zinc/66/84/82/604668482.db2.gz	FEHYJJNWXAHSLC-UHFFFAOYSA-N	-1	0	273.292	2.826	20	30		CFEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])cn1)C1CC1	ZINC000763372534	604669092	/nfs/dbraw/zinc/66/90/92/604669092.db2.gz	ZUIUKXZBPTWUML-UHFFFAOYSA-N	-1	0	259.309	2.924	20	30		CFEDRM
CC(C)CN(CCC(=O)[O-])c1ccc(Cl)c(C#N)n1	ZINC000826876192	604778310	/nfs/dbraw/zinc/77/83/10/604778310.db2.gz	VKRHVFOLPVQXMM-UHFFFAOYSA-N	-1	0	281.743	2.544	20	30		CFEDRM
C#CC[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C(C)C	ZINC000833363043	604786283	/nfs/dbraw/zinc/78/62/83/604786283.db2.gz	XPSHEGGZGVGQMR-OAHLLOKOSA-N	-1	0	288.343	2.909	20	30		CFEDRM
O=C([O-])c1cccc(NCC#Cc2ccc(F)cc2)c1	ZINC000833331487	604814000	/nfs/dbraw/zinc/81/40/00/604814000.db2.gz	KOTBDTYZRNKRDE-UHFFFAOYSA-N	-1	0	269.275	2.988	20	30		CFEDRM
O=C([O-])Cc1cccc(NCC#Cc2ccc(F)cc2)c1	ZINC000819579662	604814964	/nfs/dbraw/zinc/81/49/64/604814964.db2.gz	LQEMTMMNQVMEBN-UHFFFAOYSA-N	-1	0	283.302	2.916	20	30		CFEDRM
C=C(Br)CN1CCc2ccc(C(=O)[O-])cc2C1	ZINC000212045637	604849097	/nfs/dbraw/zinc/84/90/97/604849097.db2.gz	MDJSOPGTXQDZFT-UHFFFAOYSA-N	-1	0	296.164	2.652	20	30		CFEDRM
C=C(Cl)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833370769	604949366	/nfs/dbraw/zinc/94/93/66/604949366.db2.gz	SPSHACHSMOCGCF-UHFFFAOYSA-N	-1	0	290.146	2.685	20	30		CFEDRM
C=C(Cl)CN(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000833370150	604959619	/nfs/dbraw/zinc/95/96/19/604959619.db2.gz	LGGCTHWYZQSYBB-NSHDSACASA-N	-1	0	293.672	2.914	20	30		CFEDRM
COc1ccc(C#N)cc1CNc1cccc(CC(=O)[O-])c1	ZINC000818576593	604984173	/nfs/dbraw/zinc/98/41/73/604984173.db2.gz	MCPXWONEKFEHBS-UHFFFAOYSA-N	-1	0	296.326	2.806	20	30		CFEDRM
N#Cc1c(F)cccc1N1CCCC[C@@H]1CC(=O)[O-]	ZINC000093396112	604984473	/nfs/dbraw/zinc/98/44/73/604984473.db2.gz	GEGGTMRSHGVYFS-SNVBAGLBSA-N	-1	0	262.284	2.531	20	30		CFEDRM
C#CCCCCC(=O)Nc1cccc(NC(=O)[O-])c1	ZINC000833362680	605007356	/nfs/dbraw/zinc/00/73/56/605007356.db2.gz	FBJIOXMORGSXNR-UHFFFAOYSA-N	-1	0	260.293	2.909	20	30		CFEDRM
C#CCCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21	ZINC000300462382	605008987	/nfs/dbraw/zinc/00/89/87/605008987.db2.gz	RGBBLBJQDAUFQP-ZDUSSCGKSA-N	-1	0	285.343	2.785	20	30		CFEDRM
C=C(CC)COC(=O)Cn1cc(C(=O)[O-])c2ccccc21	ZINC000833371106	605015026	/nfs/dbraw/zinc/01/50/26/605015026.db2.gz	WIHXGCJJRTZYMQ-UHFFFAOYSA-N	-1	0	287.315	2.849	20	30		CFEDRM
C#CCCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000833362968	605018668	/nfs/dbraw/zinc/01/86/68/605018668.db2.gz	UJMOBBRURSHVAR-CQSZACIVSA-N	-1	0	278.279	2.688	20	30		CFEDRM
C#CCCCCC(=O)Oc1cc(C(=O)[O-])ccc1C	ZINC000833362733	605020656	/nfs/dbraw/zinc/02/06/56/605020656.db2.gz	HFANSXSOZRUGMI-UHFFFAOYSA-N	-1	0	260.289	2.792	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(C#N)cc1F	ZINC000833455428	605032871	/nfs/dbraw/zinc/03/28/71/605032871.db2.gz	QWFAVOQQYROLTR-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)OCc1cc(C#N)ccc1F	ZINC000833455454	605034407	/nfs/dbraw/zinc/03/44/07/605034407.db2.gz	RZGYTQNFHFPAMZ-UHFFFAOYSA-N	-1	0	293.294	2.632	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ncccc1Cl	ZINC000833407112	605040108	/nfs/dbraw/zinc/04/01/08/605040108.db2.gz	REVCGJKZAAAZBW-VIFPVBQESA-N	-1	0	292.726	2.628	20	30		CFEDRM
C#CCOc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000812445432	605098826	/nfs/dbraw/zinc/09/88/26/605098826.db2.gz	QVMGUHKLIYAOHU-UHFFFAOYSA-N	-1	0	294.310	2.843	20	30		CFEDRM
CN(CC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833691222	605128144	/nfs/dbraw/zinc/12/81/44/605128144.db2.gz	LKZVEWMBOCMAOE-SNVBAGLBSA-N	-1	0	273.119	2.574	20	30		CFEDRM
CCn1cc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cn1	ZINC000833682595	605156851	/nfs/dbraw/zinc/15/68/51/605156851.db2.gz	QTTFDOIXFXNXIW-UHFFFAOYSA-N	-1	0	292.726	2.701	20	30		CFEDRM
Cc1ccc(C#N)c(NC[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000061609646	605157667	/nfs/dbraw/zinc/15/76/67/605157667.db2.gz	MONZFHLGJNVYSL-CQSZACIVSA-N	-1	0	281.315	2.542	20	30		CFEDRM
CC(C)(C#N)CCOC(=O)c1ccc(C(=O)[O-])s1	ZINC000833408767	605159329	/nfs/dbraw/zinc/15/93/29/605159329.db2.gz	UKSFNUPICBPCHP-UHFFFAOYSA-N	-1	0	267.306	2.543	20	30		CFEDRM
C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(C)(C)C#N	ZINC000833536549	605162182	/nfs/dbraw/zinc/16/21/82/605162182.db2.gz	YFPJFMNMWJHMJG-SECBINFHSA-N	-1	0	276.292	2.872	20	30		CFEDRM
C=CCOc1ccccc1C(=O)Nc1cncc(C(=O)[O-])c1	ZINC000387791972	605170228	/nfs/dbraw/zinc/17/02/28/605170228.db2.gz	LKMLZSYYPFZZKA-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C=CCSCc1cc(C(=O)[O-])cc(C(=O)OC)c1	ZINC000833377853	605180694	/nfs/dbraw/zinc/18/06/94/605180694.db2.gz	CPPADZBOMACCQD-UHFFFAOYSA-N	-1	0	266.318	2.591	20	30		CFEDRM
CC(C)(C)C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)[O-]	ZINC000833430603	605235348	/nfs/dbraw/zinc/23/53/48/605235348.db2.gz	XUTRBXSMVOIXLH-GFCCVEGCSA-N	-1	0	275.304	2.604	20	30		CFEDRM
CN(Cc1ccccc1NCc1ccc(C#N)o1)C(=O)[O-]	ZINC000828400015	605246424	/nfs/dbraw/zinc/24/64/24/605246424.db2.gz	MSZWWCMVRVETHU-UHFFFAOYSA-N	-1	0	285.303	2.873	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000398199519	605249090	/nfs/dbraw/zinc/24/90/90/605249090.db2.gz	DSQHDKKMPAFWGZ-SNVBAGLBSA-N	-1	0	280.324	2.522	20	30		CFEDRM
C=C(C)CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000379723738	605293520	/nfs/dbraw/zinc/29/35/20/605293520.db2.gz	BXNFCPOKPZUQPQ-ALCCZGGFSA-N	-1	0	276.292	2.705	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)Nc2ccsc2C(=O)[O-])C1	ZINC000833551565	605340204	/nfs/dbraw/zinc/34/02/04/605340204.db2.gz	PLALHCWRYLGYLT-CYBMUJFWSA-N	-1	0	293.348	2.604	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2cc(Cl)ccn2)CC1	ZINC000834075904	605389551	/nfs/dbraw/zinc/38/95/51/605389551.db2.gz	UWTVZEOFWXPYAZ-UHFFFAOYSA-N	-1	0	282.731	2.523	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1cc(Cl)ccn1	ZINC000834212119	605391208	/nfs/dbraw/zinc/39/12/08/605391208.db2.gz	RCXRJNMVZRCTJP-MRVPVSSYSA-N	-1	0	282.731	2.571	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1F	ZINC000042344531	620685008	/nfs/dbraw/zinc/68/50/08/620685008.db2.gz	HAHBEHVVSUWVAV-CMDGGOBGSA-N	-1	0	285.340	2.925	20	30		CFEDRM
C[C@@]1(C#N)CCCN(Cc2ccsc2C(=O)[O-])C1	ZINC000833550791	605416180	/nfs/dbraw/zinc/41/61/80/605416180.db2.gz	DJRUJEUSGBCTHJ-ZDUSSCGKSA-N	-1	0	264.350	2.572	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2ccc(F)cc2C(=O)[O-])C1	ZINC000833550856	605416371	/nfs/dbraw/zinc/41/63/71/605416371.db2.gz	FAQBELLDINFHTD-OAHLLOKOSA-N	-1	0	276.311	2.650	20	30		CFEDRM
Cc1cc(C(=O)N(CCC#N)C(C)C)ccc1NC(=O)[O-]	ZINC000829914575	605428295	/nfs/dbraw/zinc/42/82/95/605428295.db2.gz	OKJKEWWDJVBIFI-UHFFFAOYSA-N	-1	0	289.335	2.849	20	30		CFEDRM
C=CCN(CCC1CCN(C(=O)[O-])CC1)CC(F)(F)F	ZINC000833787887	605547013	/nfs/dbraw/zinc/54/70/13/605547013.db2.gz	GROFOXWTKOYOFF-UHFFFAOYSA-N	-1	0	294.317	2.817	20	30		CFEDRM
CC1CC(C#N)(C(=O)OCc2cccc(NC(=O)[O-])c2)C1	ZINC000825783994	605549713	/nfs/dbraw/zinc/54/97/13/605549713.db2.gz	SSOKLUSDDHNHBY-UHFFFAOYSA-N	-1	0	288.303	2.760	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)[O-])C1	ZINC000833852482	605554920	/nfs/dbraw/zinc/55/49/20/605554920.db2.gz	DWXRGMPIJBWIAM-STQMWFEESA-N	-1	0	284.400	2.852	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCOC1	ZINC000779753160	605593415	/nfs/dbraw/zinc/59/34/15/605593415.db2.gz	NRJVKBSRKAYGMY-GFCCVEGCSA-N	-1	0	262.309	2.599	20	30		CFEDRM
COc1c(O)cccc1C=NNc1cccc(C(=O)[O-])c1	ZINC000812374823	605593570	/nfs/dbraw/zinc/59/35/70/605593570.db2.gz	NYMXODYBCFDXCA-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000833361600	605628114	/nfs/dbraw/zinc/62/81/14/605628114.db2.gz	CPUGLZIVCWRWQV-CJNGLKHVSA-N	-1	0	279.380	2.720	20	30		CFEDRM
CC[C@H](C)[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000833637353	605671948	/nfs/dbraw/zinc/67/19/48/605671948.db2.gz	DCDSCVCZUWRFQY-WDMOLILDSA-N	-1	0	289.331	2.909	20	30		CFEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1	ZINC000833361882	605673206	/nfs/dbraw/zinc/67/32/06/605673206.db2.gz	QMURGKPTHKIMSF-OAHLLOKOSA-N	-1	0	274.316	2.939	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1ccccc1	ZINC000823497188	605712608	/nfs/dbraw/zinc/71/26/08/605712608.db2.gz	XVCKMCTVVFQRJI-TZMCWYRMSA-N	-1	0	290.363	2.856	20	30		CFEDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1N=Nc1ccccn1	ZINC000834103877	605724211	/nfs/dbraw/zinc/72/42/11/605724211.db2.gz	IJNLIDBZEALHJM-WCQYABFASA-N	-1	0	288.351	2.792	20	30		CFEDRM
CC1CC(C#N)(C(=O)OCc2cc(C(=O)[O-])ccc2F)C1	ZINC000833590299	605818562	/nfs/dbraw/zinc/81/85/62/605818562.db2.gz	AOUCHDVULXGLNF-UHFFFAOYSA-N	-1	0	291.278	2.507	20	30		CFEDRM
Cc1cc(C(=O)NC2(C#N)CCCC2)ccc1NC(=O)[O-]	ZINC000829938986	605881371	/nfs/dbraw/zinc/88/13/71/605881371.db2.gz	AOOWAURUHPBSBO-UHFFFAOYSA-N	-1	0	287.319	2.651	20	30		CFEDRM
N#Cc1cc2ccccc2nc1NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833974333	605921073	/nfs/dbraw/zinc/92/10/73/605921073.db2.gz	JPBCIYRXDMWGHK-CQSZACIVSA-N	-1	0	296.330	2.565	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048453156	618072069	/nfs/dbraw/zinc/07/20/69/618072069.db2.gz	XDIJBQVOAIVVTI-UHFFFAOYSA-N	-1	0	259.302	2.661	20	30		CFEDRM
Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417416	617604146	/nfs/dbraw/zinc/60/41/46/617604146.db2.gz	IMGWIKVKOMJZCF-UHFFFAOYSA-N	-1	0	294.376	2.644	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000900978469	620736584	/nfs/dbraw/zinc/73/65/84/620736584.db2.gz	HKWOHSVHBVRUPS-NWDGAFQWSA-N	-1	0	287.363	2.916	20	30		CFEDRM
Cn1ncc(-c2ccc(C3CC3)c(C#N)c2)c1C(=O)[O-]	ZINC000901079609	620750753	/nfs/dbraw/zinc/75/07/53/620750753.db2.gz	IWNUSXBRILOSSX-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccnn1C1CCC1	ZINC000901159846	620759321	/nfs/dbraw/zinc/75/93/21/620759321.db2.gz	UJHCMJCYKSWOTH-UHFFFAOYSA-N	-1	0	284.319	2.752	20	30		CFEDRM
CC(=NO[C@@H]1CCCCO1)c1ccc(F)c(O)c1	ZINC000901204994	620764514	/nfs/dbraw/zinc/76/45/14/620764514.db2.gz	ICFDLGZXUXRTMR-CYBMUJFWSA-N	-1	0	253.273	2.799	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC)cc1	ZINC000048452343	617974801	/nfs/dbraw/zinc/97/48/01/617974801.db2.gz	FUPRELRHVVYZRM-JTQLQIEISA-N	-1	0	285.365	2.777	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)[N-]OCCOc1ccccc1	ZINC000889446666	617975283	/nfs/dbraw/zinc/97/52/83/617975283.db2.gz	PNGNETYYEFLCNL-HNNXBMFYSA-N	-1	0	263.337	2.716	20	30		CFEDRM
COCCCON=Cc1csc2ccc(C(=O)[O-])cc12	ZINC000901237679	620769384	/nfs/dbraw/zinc/76/93/84/620769384.db2.gz	XETANUULGHPYHY-UHFFFAOYSA-N	-1	0	293.344	2.987	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000075040184	618033741	/nfs/dbraw/zinc/03/37/41/618033741.db2.gz	KAKKVFMQCLBGLR-UHFFFAOYSA-N	-1	0	271.313	2.746	20	30		CFEDRM
Cc1c2cc(F)ccc2oc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000049418076	618080949	/nfs/dbraw/zinc/08/09/49/618080949.db2.gz	KKLLRIKSXMOFAM-UHFFFAOYSA-N	-1	0	299.323	2.923	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(F)c(F)c1	ZINC000846542555	618110267	/nfs/dbraw/zinc/11/02/67/618110267.db2.gz	FLFBNHKURGGRFR-MRVPVSSYSA-N	-1	0	273.304	2.679	20	30		CFEDRM
O=C([O-])c1cc(C=NNC23CC(C2)C3)sc1Cl	ZINC000901259719	620777233	/nfs/dbraw/zinc/77/72/33/620777233.db2.gz	SOORTLFOHZCUJM-UHFFFAOYSA-N	-1	0	270.741	2.576	20	30		CFEDRM
C[C@H](Sc1ccccn1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000161538768	618131590	/nfs/dbraw/zinc/13/15/90/618131590.db2.gz	GVKNZLZPAMGLGY-JTQLQIEISA-N	-1	0	299.355	2.778	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCOC1	ZINC000178886003	618158831	/nfs/dbraw/zinc/15/88/31/618158831.db2.gz	LZGSRAQVXJXVNH-SVOHMGGZSA-N	-1	0	260.120	2.907	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cc3ccccc3o2)C(=O)O1	ZINC000255291353	618164944	/nfs/dbraw/zinc/16/49/44/618164944.db2.gz	VTQVIEZHDGWZBZ-WLMCBFPDSA-N	-1	0	296.278	2.661	20	30		CFEDRM
Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000255294008	618165566	/nfs/dbraw/zinc/16/55/66/618165566.db2.gz	ROXFMSZTEUDTEV-PTZVLDCSSA-N	-1	0	284.311	2.532	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1oc2ccc(F)cc2c1C	ZINC000092462552	618180904	/nfs/dbraw/zinc/18/09/04/618180904.db2.gz	YYEFJPKZQIGTJI-UHFFFAOYSA-N	-1	0	291.278	2.593	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)COc1ccccc1C	ZINC000073837487	618195918	/nfs/dbraw/zinc/19/59/18/618195918.db2.gz	ABFAVEDMTCTJOA-UHFFFAOYSA-N	-1	0	299.392	2.849	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2ccsc2)c1	ZINC000176815117	618204823	/nfs/dbraw/zinc/20/48/23/618204823.db2.gz	AMTXINPJFOYSNB-UHFFFAOYSA-N	-1	0	272.329	2.897	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1ccc(C)cc1Cl	ZINC000235753625	618210432	/nfs/dbraw/zinc/21/04/32/618210432.db2.gz	NMEGQDVEFDSGCG-UHFFFAOYSA-N	-1	0	253.729	2.721	20	30		CFEDRM
COc1cc(/C=C\C(=O)c2ccco2)cc([N+](=O)[O-])c1[O-]	ZINC000255674340	618258277	/nfs/dbraw/zinc/25/82/77/618258277.db2.gz	CJMHCAPCHIAIRN-PLNGDYQASA-N	-1	0	289.243	2.798	20	30		CFEDRM
C#CCCCC(=O)N[C@](C)(CCCCCC)C(=O)[O-]	ZINC000909434813	618258249	/nfs/dbraw/zinc/25/82/49/618258249.db2.gz	WQYGWANYUCQEIT-OAHLLOKOSA-N	-1	0	267.369	2.720	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CSc1ccccc1Cl	ZINC000092463180	618267441	/nfs/dbraw/zinc/26/74/41/618267441.db2.gz	RSNHAMSSUDOXBA-UHFFFAOYSA-N	-1	0	299.779	2.531	20	30		CFEDRM
C=C1CCC(C(=O)N2CCC(CCC(=O)[O-])CC2)CC1	ZINC000909439637	618269350	/nfs/dbraw/zinc/26/93/50/618269350.db2.gz	NDTYBOLGNSRHMW-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
COc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179727745	618343599	/nfs/dbraw/zinc/34/35/99/618343599.db2.gz	VPBIGVPZLOYJHH-UHFFFAOYSA-N	-1	0	268.272	2.525	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NNC2CCC(F)(F)CC2)c1	ZINC000901344607	620797430	/nfs/dbraw/zinc/79/74/30/620797430.db2.gz	GAMIQALFUQNECW-UHFFFAOYSA-N	-1	0	299.277	2.802	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(C)c(Cl)c1	ZINC000092463758	618346513	/nfs/dbraw/zinc/34/65/13/618346513.db2.gz	YYYYFXVKKJYIIV-UHFFFAOYSA-N	-1	0	282.727	2.753	20	30		CFEDRM
CCCCCCCCNC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000147247548	618376305	/nfs/dbraw/zinc/37/63/05/618376305.db2.gz	SGEVOZJEKHPKJS-OAHLLOKOSA-N	-1	0	284.400	2.853	20	30		CFEDRM
CCOc1ccccc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055129	618397967	/nfs/dbraw/zinc/39/79/67/618397967.db2.gz	DPXWZEZFVYLRGV-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000909494640	618422160	/nfs/dbraw/zinc/42/21/60/618422160.db2.gz	DBTHPWZPMSSIQP-BLLLJJGKSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@@H]1CCCC[C@@H]1CC	ZINC000856033427	618423999	/nfs/dbraw/zinc/42/39/99/618423999.db2.gz	GJGWXUSNLBIYDE-QWHCGFSZSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=CCCO[N-]C(=O)C(F)(F)c1c(F)cccc1F	ZINC000856034586	618425190	/nfs/dbraw/zinc/42/51/90/618425190.db2.gz	QFYQZXKAMNIVSD-UHFFFAOYSA-N	-1	0	277.217	2.681	20	30		CFEDRM
CCc1oc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1C	ZINC000162621038	618429192	/nfs/dbraw/zinc/42/91/92/618429192.db2.gz	NTOQUATXZAPNJZ-LBPRGKRZSA-N	-1	0	288.347	2.532	20	30		CFEDRM
C=CCCC[C@H](C(=O)N(C)CC(=O)[O-])c1ccccc1	ZINC000901420286	620813334	/nfs/dbraw/zinc/81/33/34/620813334.db2.gz	NCOZNEMSUJHAFM-AWEZNQCLSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1	ZINC000909520720	618565043	/nfs/dbraw/zinc/56/50/43/618565043.db2.gz	SMZSIQKJPJITEX-LBPRGKRZSA-N	-1	0	273.332	2.692	20	30		CFEDRM
C#Cc1cccc(N[C@H]2CC[C@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901451802	620817332	/nfs/dbraw/zinc/81/73/32/620817332.db2.gz	UDSQOLNLEPACBU-AAEUAGOBSA-N	-1	0	279.286	2.968	20	30		CFEDRM
C=CCCC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000901428192	620815852	/nfs/dbraw/zinc/81/58/52/620815852.db2.gz	FGMKIIUGBCJNQP-GXTWGEPZSA-N	-1	0	275.348	2.716	20	30		CFEDRM
CC[C@@H](NN=C(C)c1csc(Cl)c1)C(=O)[O-]	ZINC000309699587	618747705	/nfs/dbraw/zinc/74/77/05/618747705.db2.gz	SIQGHUIYOHVETA-MRVPVSSYSA-N	-1	0	260.746	2.578	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cn1	ZINC000119265758	618800899	/nfs/dbraw/zinc/80/08/99/618800899.db2.gz	PCNVKVBIHMQNIJ-DUXPYHPUSA-N	-1	0	262.696	2.675	20	30		CFEDRM
O=C([O-])c1ccc(C=NOCCC2CC2)cc1F	ZINC000853351678	618817710	/nfs/dbraw/zinc/81/77/10/618817710.db2.gz	PSLZDHNJNSKNRJ-UHFFFAOYSA-N	-1	0	251.257	2.675	20	30		CFEDRM
C#CCCCCNC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000314518736	618837671	/nfs/dbraw/zinc/83/76/71/618837671.db2.gz	OIRSDBYQPSFEDB-AWEZNQCLSA-N	-1	0	294.395	2.513	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)F)c1cccc(Cl)c1Cl	ZINC000194589807	618938262	/nfs/dbraw/zinc/93/82/62/618938262.db2.gz	JFVVPBKVDRCLMH-ZETCQYMHSA-N	-1	0	279.073	2.939	20	30		CFEDRM
CO[C@H](C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000195491166	618951568	/nfs/dbraw/zinc/95/15/68/618951568.db2.gz	IOZMQPAMFLVSJU-ZWNOBZJWSA-N	-1	0	298.342	2.793	20	30		CFEDRM
Cc1cc(C)nc([N-]N=C2c3cccc(C)c3NC2=O)n1	ZINC000006672273	619077042	/nfs/dbraw/zinc/07/70/42/619077042.db2.gz	NUIHBMQEPTYNQM-UHFFFAOYSA-N	-1	0	281.319	2.820	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518906	619349134	/nfs/dbraw/zinc/34/91/34/619349134.db2.gz	LMMNZBTWWDPOOC-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1	ZINC000048519011	619349360	/nfs/dbraw/zinc/34/93/60/619349360.db2.gz	VZHZFUMYPRSMSN-LLVKDONJSA-N	-1	0	295.360	2.697	20	30		CFEDRM
O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519092	619349436	/nfs/dbraw/zinc/34/94/36/619349436.db2.gz	KTTUNTCJGIKDOV-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C2CC2)cc1	ZINC000048519067	619349469	/nfs/dbraw/zinc/34/94/69/619349469.db2.gz	GHUFNNAWJGHBQL-MDZDMXLPSA-N	-1	0	295.360	2.697	20	30		CFEDRM
CC[C@@H](NN=C1CC(c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000793057103	619505829	/nfs/dbraw/zinc/50/58/29/619505829.db2.gz	KKJMWBUBFNKRHH-JLOHTSLTSA-N	-1	0	264.300	2.512	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-]	ZINC000793059167	619506890	/nfs/dbraw/zinc/50/68/90/619506890.db2.gz	ZDPGBQBPTVFXIY-JTQLQIEISA-N	-1	0	292.232	2.631	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000793074023	619507117	/nfs/dbraw/zinc/50/71/17/619507117.db2.gz	ZPMMYGDGESKNSQ-LLVKDONJSA-N	-1	0	284.743	2.525	20	30		CFEDRM
CO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000049134964	619535183	/nfs/dbraw/zinc/53/51/83/619535183.db2.gz	LGTBHMCVKWIFNY-SNVBAGLBSA-N	-1	0	293.344	2.520	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000896821024	619830200	/nfs/dbraw/zinc/83/02/00/619830200.db2.gz	OKTTZBJOWQXKBG-UHFFFAOYSA-N	-1	0	256.305	2.949	20	30		CFEDRM
Cc1csc(C/N=C\c2c(O)c(C)ncc2CO)c1	ZINC000840708693	619880872	/nfs/dbraw/zinc/88/08/72/619880872.db2.gz	YIUMRSVRYUKQKY-UUASQNMZSA-N	-1	0	276.361	2.577	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000864185898	620205495	/nfs/dbraw/zinc/20/54/95/620205495.db2.gz	FKBYAFAGRIJDMQ-ONGXEEELSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C1CCC(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1	ZINC000897692482	620273284	/nfs/dbraw/zinc/27/32/84/620273284.db2.gz	ZSRNTDJWYKDUED-UHFFFAOYSA-N	-1	0	298.346	2.862	20	30		CFEDRM
C=CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[nH]1	ZINC000898096153	620337587	/nfs/dbraw/zinc/33/75/87/620337587.db2.gz	PVFVJESLLCKQSA-UHFFFAOYSA-N	-1	0	279.340	2.660	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)C2CCCCC2)cn1	ZINC000899345691	620547222	/nfs/dbraw/zinc/54/72/22/620547222.db2.gz	RRCFHKXQCGLMEY-VQHVLOKHSA-N	-1	0	259.305	2.942	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccc(O)cc2[O-])c(C2CC2)n1	ZINC000899361693	620552751	/nfs/dbraw/zinc/55/27/51/620552751.db2.gz	BFQMANYBYSBSKI-DAXSKMNVSA-N	-1	0	284.315	2.605	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccccc2[O-])c(C2CC2)n1	ZINC000899362651	620553634	/nfs/dbraw/zinc/55/36/34/620553634.db2.gz	ZCAKIYYYBPGXOW-HJWRWDBZSA-N	-1	0	268.316	2.899	20	30		CFEDRM
Cn1cc(C=CC(=O)c2sccc2[O-])c(C2CC2)n1	ZINC000899365959	620554779	/nfs/dbraw/zinc/55/47/79/620554779.db2.gz	FXXPEZSFXVUDNN-SNAWJCMRSA-N	-1	0	274.345	2.961	20	30		CFEDRM
O=C([O-])c1coc(/C=C/C(=O)c2ccnn2C2CCC2)c1	ZINC000899401173	620560777	/nfs/dbraw/zinc/56/07/77/620560777.db2.gz	RXSABNKZDMOUIH-SNAWJCMRSA-N	-1	0	286.287	2.795	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C)c1ccccc1	ZINC000899775984	620599262	/nfs/dbraw/zinc/59/92/62/620599262.db2.gz	QQRWGEIODFZBOT-MPGHIAIKSA-N	-1	0	299.370	2.614	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899788670	620599701	/nfs/dbraw/zinc/59/97/01/620599701.db2.gz	HRMXGFDCKQZFBP-CQSZACIVSA-N	-1	0	289.375	2.882	20	30		CFEDRM
CCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	ZINC000899793775	620600558	/nfs/dbraw/zinc/60/05/58/620600558.db2.gz	BHKMWYPHOIVSAD-FHIRATQRSA-N	-1	0	293.407	2.986	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000899796648	620601088	/nfs/dbraw/zinc/60/10/88/620601088.db2.gz	NKSSRTUASXULER-OAHLLOKOSA-N	-1	0	289.375	2.978	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899830300	620605122	/nfs/dbraw/zinc/60/51/22/620605122.db2.gz	HGHHAMDDPZUNBE-QWHCGFSZSA-N	-1	0	267.369	2.691	20	30		CFEDRM
N#CC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC2(CC2)C1	ZINC000901555665	620856065	/nfs/dbraw/zinc/85/60/65/620856065.db2.gz	XVRPDDGHPQDPDW-UHFFFAOYSA-N	-1	0	298.342	2.726	20	30		CFEDRM
C#CCOc1cc(F)ccc1NCCC(C)(C)C(=O)[O-]	ZINC000902314486	621030357	/nfs/dbraw/zinc/03/03/57/621030357.db2.gz	ZNLJVHBVNUNHJG-UHFFFAOYSA-N	-1	0	279.311	2.751	20	30		CFEDRM
N#CCCc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000902839512	621188786	/nfs/dbraw/zinc/18/87/86/621188786.db2.gz	SNGOCEWCVVBALB-QWHCGFSZSA-N	-1	0	286.331	2.582	20	30		CFEDRM
C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(C#N)c1	ZINC000903409119	621364189	/nfs/dbraw/zinc/36/41/89/621364189.db2.gz	WCOSBYYVMGHMLO-GXFFZTMASA-N	-1	0	292.766	2.897	20	30		CFEDRM
C[N@@H+]1CC[C@H]1C/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000905003501	621680153	/nfs/dbraw/zinc/68/01/53/621680153.db2.gz	TZQYUDWOXZBVNH-YSIZRHRHSA-N	-1	0	273.163	2.822	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)[O-]	ZINC000905015810	621681646	/nfs/dbraw/zinc/68/16/46/621681646.db2.gz	OTDNQWNBXJZZEP-GFCCVEGCSA-N	-1	0	298.289	2.896	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cccc(F)c1)C(=O)[O-]	ZINC000905015139	621681824	/nfs/dbraw/zinc/68/18/24/621681824.db2.gz	FCLOMRFSMUNINF-LBPRGKRZSA-N	-1	0	280.299	2.757	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc1	ZINC000905417886	621763886	/nfs/dbraw/zinc/76/38/86/621763886.db2.gz	XTBIKNRTZWPXCX-DDHJSBNISA-N	-1	0	286.331	2.598	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21	ZINC000905431440	621769843	/nfs/dbraw/zinc/76/98/43/621769843.db2.gz	QRJPLKMULCVGSX-UOVKNHIHSA-N	-1	0	286.331	2.598	20	30		CFEDRM
C=CCCC[C@H](NC(=O)NCc1ccccc1C)C(=O)[O-]	ZINC000905513652	621784046	/nfs/dbraw/zinc/78/40/46/621784046.db2.gz	PZSMCKGJWCVBQP-AWEZNQCLSA-N	-1	0	290.363	2.604	20	30		CFEDRM
C[C@H]1CCc2sc([N-]S(C)(=O)=O)c(C#N)c2[C@H]1C	ZINC000906074616	621928923	/nfs/dbraw/zinc/92/89/23/621928923.db2.gz	IHKVEPZJLYXQGN-YUMQZZPRSA-N	-1	0	284.406	2.677	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCCC(F)(F)F)CC2CCC1CC2	ZINC000907542843	622134222	/nfs/dbraw/zinc/13/42/22/622134222.db2.gz	FGAYDVSMOYIAKF-RTYFJBAXSA-N	-1	0	290.285	2.707	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(CCC(=O)[O-])CC(C)C	ZINC000907572756	622137673	/nfs/dbraw/zinc/13/76/73/622137673.db2.gz	NXDGUEZEWDLOOX-GFCCVEGCSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F	ZINC000907576801	622138003	/nfs/dbraw/zinc/13/80/03/622138003.db2.gz	LKMWBTIWAAKMRF-YMTOWFKASA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000907628764	622143631	/nfs/dbraw/zinc/14/36/31/622143631.db2.gz	NDVAHOZGQQGFGA-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000907669221	622149435	/nfs/dbraw/zinc/14/94/35/622149435.db2.gz	AXMHVOHBSKFVBK-NHYWBVRUSA-N	-1	0	293.338	2.978	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000907647824	622150854	/nfs/dbraw/zinc/15/08/54/622150854.db2.gz	VRCXMIMDXWGOCH-ZFWWWQNUSA-N	-1	0	289.375	2.743	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1	ZINC000907737802	622154885	/nfs/dbraw/zinc/15/48/85/622154885.db2.gz	YZCJZHNUXVTVAS-ZQIUZPCESA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1	ZINC000907732378	622157508	/nfs/dbraw/zinc/15/75/08/622157508.db2.gz	QIJPDANPCNNRJH-JSGCOSHPSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21	ZINC000907736907	622158159	/nfs/dbraw/zinc/15/81/59/622158159.db2.gz	UPJJWNVUQROITR-YIYPIFLZSA-N	-1	0	279.380	2.691	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000907761296	622160265	/nfs/dbraw/zinc/16/02/65/622160265.db2.gz	RWVMTDNERAHYFU-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
N#CC1(C(=O)N2CCc3c2cccc3C(=O)[O-])CCCCC1	ZINC000907984155	622181991	/nfs/dbraw/zinc/18/19/91/622181991.db2.gz	QBUCQOIFKOXNRS-UHFFFAOYSA-N	-1	0	298.342	2.748	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000908220264	622202949	/nfs/dbraw/zinc/20/29/49/622202949.db2.gz	QEIRTZCASNJGNE-UHFFFAOYSA-N	-1	0	291.347	2.578	20	30		CFEDRM
C=CCCCN(CC)C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000908220970	622202954	/nfs/dbraw/zinc/20/29/54/622202954.db2.gz	ZNAFITWOSGXJKH-CSKARUKUSA-N	-1	0	277.320	2.806	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908288549	622212994	/nfs/dbraw/zinc/21/29/94/622212994.db2.gz	NEBXODSTJDCGTP-BBRMVZONSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908292787	622215075	/nfs/dbraw/zinc/21/50/75/622215075.db2.gz	QRXXRXYPKBSPMK-TZMCWYRMSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000908585978	622249781	/nfs/dbraw/zinc/24/97/81/622249781.db2.gz	UKDGDIQZUBNTDC-OAHLLOKOSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@H](C(=O)N(C)CCCC(=O)[O-])c1ccccc1	ZINC000908635540	622251356	/nfs/dbraw/zinc/25/13/56/622251356.db2.gz	NJRYOXOLRZZZRS-AWEZNQCLSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1nc(CCC)cs1)C(=O)[O-]	ZINC000908688727	622260686	/nfs/dbraw/zinc/26/06/86/622260686.db2.gz	XDWGGWUSTBSHLC-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(CCC(=O)[O-])CC(C)C	ZINC000908856789	622281704	/nfs/dbraw/zinc/28/17/04/622281704.db2.gz	SEVTWLLVSGVKIV-UHFFFAOYSA-N	-1	0	255.358	2.548	20	30		CFEDRM
C=CC[C@H](C(=O)N(CC)CCC(=O)[O-])c1ccccc1	ZINC000908863124	622282359	/nfs/dbraw/zinc/28/23/59/622282359.db2.gz	ZJZDGOXFTVOMEL-AWEZNQCLSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C#Cc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1	ZINC000909009678	622294189	/nfs/dbraw/zinc/29/41/89/622294189.db2.gz	VFTNWFAQIMRHAV-UHFFFAOYSA-N	-1	0	285.343	2.527	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N[C@H](CC)C(=O)[O-]	ZINC000909120955	622315332	/nfs/dbraw/zinc/31/53/32/622315332.db2.gz	IMKSALPHHTXORW-LLVKDONJSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000909184329	622323235	/nfs/dbraw/zinc/32/32/35/622323235.db2.gz	YJVBCLZTEYBHEV-CQSZACIVSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C#CCC1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCCC1	ZINC000909278011	622337464	/nfs/dbraw/zinc/33/74/64/622337464.db2.gz	KIDCONGCIKFXOE-UHFFFAOYSA-N	-1	0	291.391	2.721	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000909711732	622343739	/nfs/dbraw/zinc/34/37/39/622343739.db2.gz	FJRMRMQYUXQJMM-GFCCVEGCSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=C1CCC(C(=O)NC2(CC(=O)[O-])CCCC2)CC1	ZINC000909708068	622343984	/nfs/dbraw/zinc/34/39/84/622343984.db2.gz	DHKDONRFBJXMAQ-UHFFFAOYSA-N	-1	0	265.353	2.637	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1	ZINC000909731370	622347317	/nfs/dbraw/zinc/34/73/17/622347317.db2.gz	SFKIFESODHKREZ-OAHLLOKOSA-N	-1	0	277.320	2.934	20	30		CFEDRM
C=CC(C)(C)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000909780526	622352210	/nfs/dbraw/zinc/35/22/10/622352210.db2.gz	JYDBHYJDSXYSON-UHFFFAOYSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000909790311	622353272	/nfs/dbraw/zinc/35/32/72/622353272.db2.gz	BNSFDXTYNCTRRK-MRXNPFEDSA-N	-1	0	287.359	2.739	20	30		CFEDRM
C=CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1	ZINC000909809316	622354527	/nfs/dbraw/zinc/35/45/27/622354527.db2.gz	SIEYDCYWAQAMII-YUELXQCFSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C#CCCCCC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1	ZINC000909834470	622359497	/nfs/dbraw/zinc/35/94/97/622359497.db2.gz	AAECATCEEPMXPY-HZPDHXFCSA-N	-1	0	299.370	2.507	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909846899	622360704	/nfs/dbraw/zinc/36/07/04/622360704.db2.gz	FIJOBJTZFJAIBX-UHFFFAOYSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909846209	622360787	/nfs/dbraw/zinc/36/07/87/622360787.db2.gz	KAVNFAJCIBUVDA-UHFFFAOYSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=C(C)[C@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)OCC	ZINC000909954711	622379434	/nfs/dbraw/zinc/37/94/34/622379434.db2.gz	VYXBDDHABMQXOL-XEZPLFJOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-]	ZINC000910053672	622392744	/nfs/dbraw/zinc/39/27/44/622392744.db2.gz	YQFIWWSYVTXREL-GFCCVEGCSA-N	-1	0	299.326	2.564	20	30		CFEDRM
C#CC[C@@H](NC(=O)C/C=C/c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000910045753	622396466	/nfs/dbraw/zinc/39/64/66/622396466.db2.gz	GNFIEXJNFXBUQV-BIENSFFJSA-N	-1	0	299.370	2.806	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1	ZINC000910155153	622407406	/nfs/dbraw/zinc/40/74/06/622407406.db2.gz	KGMZILVUXVUIKF-LRDDRELGSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C(C)=C1CCCC1)C(=O)[O-]	ZINC000910264745	622420776	/nfs/dbraw/zinc/42/07/76/622420776.db2.gz	CUNWCRCVWXWBJV-LLVKDONJSA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)C1CCCC1)C(=O)[O-]	ZINC000910272779	622422544	/nfs/dbraw/zinc/42/25/44/622422544.db2.gz	VTIZBYLKYGTDFP-MWLCHTKSSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000910301427	622427604	/nfs/dbraw/zinc/42/76/04/622427604.db2.gz	MFFLFPXDNDVNDM-UONOGXRCSA-N	-1	0	271.316	2.617	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1c(C)oc2ccccc21)C(=O)[O-]	ZINC000910292591	622430033	/nfs/dbraw/zinc/43/00/33/622430033.db2.gz	RNOPEDBZJLHUGA-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C[C@]1(C(=O)[O-])CCC[C@H]1Nc1ccc(Cl)c(C#N)n1	ZINC000910442790	622444861	/nfs/dbraw/zinc/44/48/61/622444861.db2.gz	KDIAFRAEVHNCDI-MFKMUULPSA-N	-1	0	279.727	2.662	20	30		CFEDRM
CCC[C@@H](CNc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000910466152	622448626	/nfs/dbraw/zinc/44/86/26/622448626.db2.gz	QQKUSCLOMNSBMC-QMMMGPOBSA-N	-1	0	267.716	2.519	20	30		CFEDRM
N#Cc1ccc(NC[C@H](C(=O)[O-])C2CCCCC2)cn1	ZINC000910479165	622450959	/nfs/dbraw/zinc/45/09/59/622450959.db2.gz	SIXHMEJKJUSEHR-AWEZNQCLSA-N	-1	0	273.336	2.646	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000910502753	622453002	/nfs/dbraw/zinc/45/30/02/622453002.db2.gz	RUQAYJGUMHQFJD-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CC[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1	ZINC000910826402	622479273	/nfs/dbraw/zinc/47/92/73/622479273.db2.gz	BZJIGWXQYDSAKK-CQSZACIVSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C=C[C@H](CC(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1)c1ccccc1	ZINC000910839937	622481541	/nfs/dbraw/zinc/48/15/41/622481541.db2.gz	JPCPTCGHJMRPKV-JJAZEVLHSA-N	-1	0	299.370	2.525	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000910914726	622486267	/nfs/dbraw/zinc/48/62/67/622486267.db2.gz	NNXIAAHQAUDKNB-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)n(CC)c1C)C(=O)[O-]	ZINC000910914936	622486378	/nfs/dbraw/zinc/48/63/78/622486378.db2.gz	QABZXWPXQYTUJW-CQSZACIVSA-N	-1	0	292.379	2.664	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(C)c(F)c1)C(=O)[O-]	ZINC000910916307	622486692	/nfs/dbraw/zinc/48/66/92/622486692.db2.gz	UUEQUGCLIXDJTP-CYBMUJFWSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)C(=O)[O-]	ZINC000910916710	622486858	/nfs/dbraw/zinc/48/68/58/622486858.db2.gz	ILXODHYMOIIXQB-ZEOYUPMXSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)cc(F)c1)C(=O)[O-]	ZINC000910915339	622486872	/nfs/dbraw/zinc/48/68/72/622486872.db2.gz	XQTYKYXJXKMSDR-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000910918339	622487165	/nfs/dbraw/zinc/48/71/65/622487165.db2.gz	YMRAQGZXNABUEK-ZDUSSCGKSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1sccc1C)C(=O)[O-]	ZINC000910919208	622487212	/nfs/dbraw/zinc/48/72/12/622487212.db2.gz	UJAJVHYYZKQXCA-SNVBAGLBSA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1=CCCCCC1)C(=O)[O-]	ZINC000910917657	622487214	/nfs/dbraw/zinc/48/72/14/622487214.db2.gz	SXACALGQULLPRH-CYBMUJFWSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)/C=C\c1ccsc1)C(=O)[O-]	ZINC000910918782	622487285	/nfs/dbraw/zinc/48/72/85/622487285.db2.gz	PLSNULPQCSNGCJ-ZHRWSRJISA-N	-1	0	279.361	2.687	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@@H]1CCO[C@H](CCC)C1)C(=O)[O-]	ZINC000910918084	622487330	/nfs/dbraw/zinc/48/73/30/622487330.db2.gz	XJSUYYOBQMXVAA-MCIONIFRSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cccc(C)c1C)C(=O)[O-]	ZINC000910917959	622487392	/nfs/dbraw/zinc/48/73/92/622487392.db2.gz	GRIFPYQNFNZXHO-AWEZNQCLSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](OCC)C1CCCC1)C(=O)[O-]	ZINC000910923288	622487649	/nfs/dbraw/zinc/48/76/49/622487649.db2.gz	RRMPJBUFSYKHAT-ZIAGYGMSSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C(=O)[O-]	ZINC000910921734	622487771	/nfs/dbraw/zinc/48/77/71/622487771.db2.gz	DZKIOEMYAJNDCU-YNEHKIRRSA-N	-1	0	293.388	2.777	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@H](CC)CCC)C(=O)[O-]	ZINC000910922595	622487879	/nfs/dbraw/zinc/48/78/79/622487879.db2.gz	KVZTYYHQWKDYDH-VXGBXAGGSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C1CCC=CCC1)C(=O)[O-]	ZINC000910924039	622488058	/nfs/dbraw/zinc/48/80/58/622488058.db2.gz	XRWDGYUJOANKEH-CYBMUJFWSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)CCCC)C(=O)[O-]	ZINC000910924902	622488105	/nfs/dbraw/zinc/48/81/05/622488105.db2.gz	GNYZOYPFKBNOTQ-NWDGAFQWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC[C@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000910923701	622488417	/nfs/dbraw/zinc/48/84/17/622488417.db2.gz	WBKLJAWNHJDQPH-QWHCGFSZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910971551	622493201	/nfs/dbraw/zinc/49/32/01/622493201.db2.gz	PNMTZGATSXXUOV-GFCCVEGCSA-N	-1	0	291.347	2.719	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN1CCC[C@](C)(C#N)C1	ZINC000833677999	625573156	/nfs/dbraw/zinc/57/31/56/625573156.db2.gz	HXKQPPBAROMMMQ-OAHLLOKOSA-N	-1	0	276.336	2.666	20	30		CFEDRM
C=C(C)CCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000911409494	622520544	/nfs/dbraw/zinc/52/05/44/622520544.db2.gz	UWLAPAYJQCDCEW-NSHDSACASA-N	-1	0	293.388	2.948	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(OC)cc1Cl)C(=O)[O-]	ZINC000819814205	622562371	/nfs/dbraw/zinc/56/23/71/622562371.db2.gz	YRNJQZRQVDJXSF-LBPRGKRZSA-N	-1	0	284.743	2.525	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NN[C@@H](C)c1ccncc1	ZINC000819819304	622564019	/nfs/dbraw/zinc/56/40/19/622564019.db2.gz	WMLGAHJIXKNLLM-LBPRGKRZSA-N	-1	0	275.352	2.753	20	30		CFEDRM
C[C@H]1CCCCN1[N-]C(=O)C(F)(F)c1ccccc1C#N	ZINC000912147494	622648596	/nfs/dbraw/zinc/64/85/96/622648596.db2.gz	SVFPMCJRYDDQQE-NSHDSACASA-N	-1	0	293.317	2.556	20	30		CFEDRM
CNC(=O)c1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1	ZINC000156710632	622957678	/nfs/dbraw/zinc/95/76/78/622957678.db2.gz	VZEHODXGNBTAKZ-UXBLZVDNSA-N	-1	0	295.338	2.956	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000156714375	622962198	/nfs/dbraw/zinc/96/21/98/622962198.db2.gz	VOHFJRHAGBREFX-AATRIKPKSA-N	-1	0	260.268	2.767	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cccnc1	ZINC000157200928	623013063	/nfs/dbraw/zinc/01/30/63/623013063.db2.gz	PCZWXLKMMGECIK-ZZXKWVIFSA-N	-1	0	270.244	2.592	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000059138923	623088789	/nfs/dbraw/zinc/08/87/89/623088789.db2.gz	KVCDSSZXBUPFNM-AAEUAGOBSA-N	-1	0	257.374	2.962	20	30		CFEDRM
CCOCCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000060803150	623156887	/nfs/dbraw/zinc/15/68/87/623156887.db2.gz	DKPQPKPWXYEULL-RIYZIHGNSA-N	-1	0	286.715	2.799	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CC1CC(c2ccccc2)C1	ZINC000823328669	623292770	/nfs/dbraw/zinc/29/27/70/623292770.db2.gz	WLPWWJAXNRVEOL-UHFFFAOYSA-N	-1	0	287.359	2.670	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2nc(C)cc(C)c2C#N)C1	ZINC000062875015	623301489	/nfs/dbraw/zinc/30/14/89/623301489.db2.gz	UDTTXAPLOAUKJK-MRXNPFEDSA-N	-1	0	287.363	2.651	20	30		CFEDRM
Cc1cc(F)cc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1	ZINC000173997380	623378184	/nfs/dbraw/zinc/37/81/84/623378184.db2.gz	SHOGGEBEBOSCNR-AWEZNQCLSA-N	-1	0	288.322	2.515	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc(F)c2[O-])C1	ZINC000824972438	623597461	/nfs/dbraw/zinc/59/74/61/623597461.db2.gz	NTQCTJCGMTYYSB-NSHDSACASA-N	-1	0	263.312	2.960	20	30		CFEDRM
N#CCC1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1	ZINC000825009481	623604959	/nfs/dbraw/zinc/60/49/59/623604959.db2.gz	JBDDYAZRWGYFNP-UHFFFAOYSA-N	-1	0	285.130	2.685	20	30		CFEDRM
CCn1nccc1/C=C/C(=O)c1ccc(F)cc1[O-]	ZINC000152669224	623750872	/nfs/dbraw/zinc/75/08/72/623750872.db2.gz	ZACZUTVBMPTYPD-GQCTYLIASA-N	-1	0	260.268	2.644	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)Cc1cccc(Cl)c1	ZINC000762047587	623859836	/nfs/dbraw/zinc/85/98/36/623859836.db2.gz	KFYKPEQVRARKDL-NSHDSACASA-N	-1	0	295.766	2.618	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2[O-])C1	ZINC000827044103	623929670	/nfs/dbraw/zinc/92/96/70/623929670.db2.gz	ARSUYGDZLDSCOI-SECBINFHSA-N	-1	0	267.275	2.709	20	30		CFEDRM
COc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1	ZINC000916255376	624231110	/nfs/dbraw/zinc/23/11/10/624231110.db2.gz	WIIMAEJXWFAFGC-UHFFFAOYSA-N	-1	0	270.288	2.839	20	30		CFEDRM
Cc1ccc(NN=Cc2ccc(OCC(=O)[O-])cc2)cc1	ZINC000916250341	624231673	/nfs/dbraw/zinc/23/16/73/624231673.db2.gz	VSACVHCAOIXKMQ-UHFFFAOYSA-N	-1	0	284.315	2.904	20	30		CFEDRM
CC(C)=CCCC(C)=CC=Nn1c(=O)c(C)n[n-]c1=S	ZINC000916304076	624237457	/nfs/dbraw/zinc/23/74/57/624237457.db2.gz	YDJIQEBIPZCHLR-USOHRHBCSA-N	-1	0	292.408	2.762	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c1	ZINC000916892083	624291178	/nfs/dbraw/zinc/29/11/78/624291178.db2.gz	AQBJFVDJKLGUEM-OAHLLOKOSA-N	-1	0	284.359	2.766	20	30		CFEDRM
C=CCn1c(=O)[nH]nc1SCC[C@@H]1C[C@H]1C1CC1	ZINC000917210624	624322476	/nfs/dbraw/zinc/32/24/76/624322476.db2.gz	SUVRQCPKNZTIHC-MNOVXSKESA-N	-1	0	265.382	2.698	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2cccc3c2OCCO3)cc1	ZINC000917529620	624354884	/nfs/dbraw/zinc/35/48/84/624354884.db2.gz	SQVBIMUFVUIIFX-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(OC)cc1	ZINC000917554649	624358706	/nfs/dbraw/zinc/35/87/06/624358706.db2.gz	ICFRXKJLSYVDOM-UHFFFAOYSA-N	-1	0	296.334	2.588	20	30		CFEDRM
Cc1ccc(CC/N=C/c2c(O)c(C)ncc2CO)c(C)c1	ZINC000920864314	624776419	/nfs/dbraw/zinc/77/64/19/624776419.db2.gz	RXZZNQTVVSFJCO-VXLYETTFSA-N	-1	0	298.386	2.866	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2cccc3nccn32)c([O-])c1	ZINC000180315423	625013099	/nfs/dbraw/zinc/01/30/99/625013099.db2.gz	LGLPBTIZFXORIB-VMPITWQZSA-N	-1	0	294.310	2.945	20	30		CFEDRM
CC(Cc1ccncc1)N=Nc1ccccc1C(=O)[O-]	ZINC000767761565	625738621	/nfs/dbraw/zinc/73/86/21/625738621.db2.gz	BCUNHQHLGPLVBV-UHFFFAOYSA-N	-1	0	269.304	2.810	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)C)cc1	ZINC000073087361	625771510	/nfs/dbraw/zinc/77/15/10/625771510.db2.gz	OVOIRUYAOGWQSH-JTQLQIEISA-N	-1	0	285.365	2.633	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000073087465	625772281	/nfs/dbraw/zinc/77/22/81/625772281.db2.gz	LDPBJSPWWBBULS-UHFFFAOYSA-N	-1	0	279.361	2.787	20	30		CFEDRM
CCCCCCCC(=O)NCc1ccoc1C(=O)[O-]	ZINC000851618211	634458565	/nfs/dbraw/zinc/45/85/65/634458565.db2.gz	LCFPJRWDDWXOAO-UHFFFAOYSA-N	-1	0	267.325	2.955	20	30		CFEDRM
C[C@@H]1C(N=Nc2cccc(F)n2)CC[C@@H]1CC(=O)[O-]	ZINC000814927760	625893250	/nfs/dbraw/zinc/89/32/50/625893250.db2.gz	FEZBJCZGEQWNMX-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
O=C([O-])c1cccc(C=NOC2CCC2)c1Cl	ZINC000814936705	625927934	/nfs/dbraw/zinc/92/79/34/625927934.db2.gz	GMTDOFJHXFEIST-UHFFFAOYSA-N	-1	0	253.685	2.941	20	30		CFEDRM
CCC[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835007908	625954743	/nfs/dbraw/zinc/95/47/43/625954743.db2.gz	BSJNCCPQWOXKRK-JTQLQIEISA-N	-1	0	268.288	2.737	20	30		CFEDRM
CCOC1CC(CN=Nc2ccc(C(=O)[O-])cc2F)C1	ZINC000835009185	625955780	/nfs/dbraw/zinc/95/57/80/625955780.db2.gz	SNMRPSRBORUILU-UHFFFAOYSA-N	-1	0	280.299	2.737	20	30		CFEDRM
C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2F)C[C@@H]1C	ZINC000835009371	625955860	/nfs/dbraw/zinc/95/58/60/625955860.db2.gz	UWRIGBDMUOAFDK-JGVFFNPUSA-N	-1	0	250.273	2.968	20	30		CFEDRM
C[C@H]1CSCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009692	625957174	/nfs/dbraw/zinc/95/71/74/625957174.db2.gz	YMLPKTOSPSWITQ-ZETCQYMHSA-N	-1	0	268.313	2.675	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)C1CCOCC1	ZINC000835010159	625957277	/nfs/dbraw/zinc/95/72/77/625957277.db2.gz	QTLCKSZEBPATDY-UHFFFAOYSA-N	-1	0	280.299	2.738	20	30		CFEDRM
C[C@H]1CC(=NNCc2ccccc2F)CC[C@@H]1C(=O)[O-]	ZINC000835011772	625958024	/nfs/dbraw/zinc/95/80/24/625958024.db2.gz	TWENAHMVFJVYRR-GWCFXTLKSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cc1F)[C@]1(C)CCCO1	ZINC000835012271	625958494	/nfs/dbraw/zinc/95/84/94/625958494.db2.gz	OIMDPXDRSINDJD-AWEZNQCLSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC(=NNCC(C)C)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814891803	625960135	/nfs/dbraw/zinc/96/01/35/625960135.db2.gz	AJICQBZTEYJCDB-LBPRGKRZSA-N	-1	0	278.352	2.508	20	30		CFEDRM
N#C[C@H](NC(=O)c1cccc(Cl)c1[O-])C1CCCC1	ZINC000921545185	625981518	/nfs/dbraw/zinc/98/15/18/625981518.db2.gz	DFTPLBHFCANMND-LBPRGKRZSA-N	-1	0	278.739	2.858	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl	ZINC000083791520	625997439	/nfs/dbraw/zinc/99/74/39/625997439.db2.gz	UQXKHJXMWLIBBD-WPRPVWTQSA-N	-1	0	287.768	2.782	20	30		CFEDRM
CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055778	626234586	/nfs/dbraw/zinc/23/45/86/626234586.db2.gz	COWBFOAIFYNACR-LLVKDONJSA-N	-1	0	291.413	2.667	20	30		CFEDRM
CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055775	626234634	/nfs/dbraw/zinc/23/46/34/626234634.db2.gz	COWBFOAIFYNACR-NSHDSACASA-N	-1	0	291.413	2.667	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccs1	ZINC000073838064	626396151	/nfs/dbraw/zinc/39/61/51/626396151.db2.gz	MQTIDOLFIKVXHQ-UHFFFAOYSA-N	-1	0	261.368	2.571	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)CSC(C)(C)C	ZINC000073837751	626396145	/nfs/dbraw/zinc/39/61/45/626396145.db2.gz	PKSVRNBDWSDEBV-UHFFFAOYSA-N	-1	0	281.443	2.993	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(F)ccc1F	ZINC000073838425	626396229	/nfs/dbraw/zinc/39/62/29/626396229.db2.gz	IEGZEFXJWDBQEN-UHFFFAOYSA-N	-1	0	291.319	2.788	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1	ZINC000923075094	626449072	/nfs/dbraw/zinc/44/90/72/626449072.db2.gz	HWTWEQJSYMUICO-BDJLRTHQSA-N	-1	0	288.347	2.828	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1ccc(C)c(Cl)c1)C(=O)[O-]	ZINC000923080682	626449405	/nfs/dbraw/zinc/44/94/05/626449405.db2.gz	HICHBGBINDMDRA-CYBMUJFWSA-N	-1	0	295.766	2.727	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000923091268	626450259	/nfs/dbraw/zinc/45/02/59/626450259.db2.gz	VTCKTXZTLKSCJR-UHFFFAOYSA-N	-1	0	286.331	2.557	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])cc1	ZINC000923189365	626455672	/nfs/dbraw/zinc/45/56/72/626455672.db2.gz	VUJJDAUNAUMWJP-QGZVFWFLSA-N	-1	0	287.359	2.535	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923189694	626455697	/nfs/dbraw/zinc/45/56/97/626455697.db2.gz	XQJNUHASDHUNCX-HUUCEWRRSA-N	-1	0	269.385	2.842	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@](C)(CC(C)C)C(=O)[O-]	ZINC000923192802	626456188	/nfs/dbraw/zinc/45/61/88/626456188.db2.gz	ZMKGRKHSEYIUFK-HNNXBMFYSA-N	-1	0	269.385	2.842	20	30		CFEDRM
CC(C)CCCCC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000838819258	626507898	/nfs/dbraw/zinc/50/78/98/626507898.db2.gz	RTMBOIBCVWCOJR-LBPRGKRZSA-N	-1	0	275.352	2.528	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCCCC(C)C)CC1	ZINC000838961861	626517139	/nfs/dbraw/zinc/51/71/39/626517139.db2.gz	LYJHDLRPEFLKSN-UHFFFAOYSA-N	-1	0	287.425	2.758	20	30		CFEDRM
N#Cc1cccc(C=NNc2ccccc2C(=O)[O-])c1	ZINC000839403857	626535511	/nfs/dbraw/zinc/53/55/11/626535511.db2.gz	WLEFLQWQWNNHGR-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CC(F)(F)C(F)(F)F)c1	ZINC000867013209	626538106	/nfs/dbraw/zinc/53/81/06/626538106.db2.gz	OIQRYBUGFBYAND-UHFFFAOYSA-N	-1	0	294.179	2.790	20	30		CFEDRM
C/C=C(\CC)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000789226701	626539343	/nfs/dbraw/zinc/53/93/43/626539343.db2.gz	ICCPQQHORDCGFT-LLMHMKPQSA-N	-1	0	292.360	2.527	20	30		CFEDRM
Cc1ccoc1C(=O)/C=C\c1ccc(O)c(C(=O)[O-])c1	ZINC000809158067	626539475	/nfs/dbraw/zinc/53/94/75/626539475.db2.gz	PYGYPYMOYJHREO-HYXAFXHYSA-N	-1	0	272.256	2.888	20	30		CFEDRM
COC(=O)c1cc(/C=C\C(=O)c2ccc(F)cc2[O-])c[nH]1	ZINC000757476752	626553337	/nfs/dbraw/zinc/55/33/37/626553337.db2.gz	RWSNJSITYVRBNG-DJWKRKHSSA-N	-1	0	289.262	2.542	20	30		CFEDRM
CC(CC1CCOCC1)N=Nc1ccc(C(=O)[O-])cc1	ZINC000757561383	626555391	/nfs/dbraw/zinc/55/53/91/626555391.db2.gz	ONRBZNOZLSPXIE-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
[O-]c1cc(Cl)c(CN=Nc2ncccn2)cc1Cl	ZINC000758098296	626576057	/nfs/dbraw/zinc/57/60/57/626576057.db2.gz	QQNXBQNXRYTQOM-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
[O-]c1cc(Cl)c(C=NNCC(F)F)cc1Cl	ZINC000758110868	626576938	/nfs/dbraw/zinc/57/69/38/626576938.db2.gz	RBQNMDPITAJIBQ-UHFFFAOYSA-N	-1	0	269.078	2.888	20	30		CFEDRM
CCC(CC)NN=C(C)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000758111215	626576941	/nfs/dbraw/zinc/57/69/41/626576941.db2.gz	SQKQWLMWQUHDML-UHFFFAOYSA-N	-1	0	265.313	2.803	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCC(F)(F)F	ZINC000758360933	626589644	/nfs/dbraw/zinc/58/96/44/626589644.db2.gz	HYJNFTDZEPBYCJ-VIFPVBQESA-N	-1	0	284.278	2.568	20	30		CFEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1	ZINC000760228408	626722136	/nfs/dbraw/zinc/72/21/36/626722136.db2.gz	HDYDEVVQKVHZGJ-AVPSXBMNSA-N	-1	0	259.265	2.809	20	30		CFEDRM
CCc1ccc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000760335473	626735656	/nfs/dbraw/zinc/73/56/56/626735656.db2.gz	VAYTXPCKCSWXMH-SNVBAGLBSA-N	-1	0	257.318	2.591	20	30		CFEDRM
Cn1cnc2cc(C=NNc3cccc(C(=O)[O-])c3)ccc21	ZINC000761253262	626819440	/nfs/dbraw/zinc/81/94/40/626819440.db2.gz	LLQQYLVYVGHCAD-UHFFFAOYSA-N	-1	0	294.314	2.718	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)CCCCC	ZINC000762047617	626884444	/nfs/dbraw/zinc/88/44/44/626884444.db2.gz	MBYRFHJXQWMPMU-LBPRGKRZSA-N	-1	0	255.358	2.692	20	30		CFEDRM
C[C@@H]1CC/C(=C\C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000762816902	626940154	/nfs/dbraw/zinc/94/01/54/626940154.db2.gz	DLGITVHLGSOORA-MXBGMFSPSA-N	-1	0	256.305	2.949	20	30		CFEDRM
Cc1nnc(N=NC[C@H](C)c2cccc(Cl)c2)[n-]c1=O	ZINC000763347024	626982152	/nfs/dbraw/zinc/98/21/52/626982152.db2.gz	UWBLBQWKICWPJN-QMMMGPOBSA-N	-1	0	291.742	2.740	20	30		CFEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1C	ZINC000763371943	626983630	/nfs/dbraw/zinc/98/36/30/626983630.db2.gz	NEJWPKGSEDBSAT-UHFFFAOYSA-N	-1	0	269.304	2.843	20	30		CFEDRM
CCOc1ccccc1CN=Nc1ccc(C(=O)[O-])cn1	ZINC000763371588	626983650	/nfs/dbraw/zinc/98/36/50/626983650.db2.gz	FLLDVEJIKRDRAL-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCOCC2CCC2)c1	ZINC000764887149	627104918	/nfs/dbraw/zinc/10/49/18/627104918.db2.gz	GHBFGFAABQOURY-DHDCSXOGSA-N	-1	0	278.308	2.536	20	30		CFEDRM
Cc1cncc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000767366412	627245791	/nfs/dbraw/zinc/24/57/91/627245791.db2.gz	KCLWICMVDQQZGC-GORDUTHDSA-N	-1	0	284.271	2.900	20	30		CFEDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cncs2)s1	ZINC000767722030	627280148	/nfs/dbraw/zinc/28/01/48/627280148.db2.gz	OAILRVHOCFYCRV-UPHRSURJSA-N	-1	0	265.315	2.799	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000770572199	627530825	/nfs/dbraw/zinc/53/08/25/627530825.db2.gz	DSOAJZAVCXNRNV-HJWRWDBZSA-N	-1	0	298.342	2.506	20	30		CFEDRM
C#CCCN(CC(F)(F)F)C(=O)c1c([O-])cccc1F	ZINC000772260181	627693024	/nfs/dbraw/zinc/69/30/24/627693024.db2.gz	BEBXMWVOIMHFCX-UHFFFAOYSA-N	-1	0	289.228	2.559	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC1CCOCC1	ZINC000774436779	627925521	/nfs/dbraw/zinc/92/55/21/627925521.db2.gz	ZOLYJFGCDNNWDC-UHFFFAOYSA-N	-1	0	273.691	2.714	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NOC2CCCC2)c1	ZINC000774603156	627941098	/nfs/dbraw/zinc/94/10/98/627941098.db2.gz	NUOWSEFRNOAGLL-UHFFFAOYSA-N	-1	0	277.320	2.833	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NOC2CCCC2)ccc1[O-]	ZINC000774607293	627941548	/nfs/dbraw/zinc/94/15/48/627941548.db2.gz	FBKBRUZGHIEYOK-UHFFFAOYSA-N	-1	0	250.254	2.594	20	30		CFEDRM
CC(=NOCC(C)C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000776725955	628171609	/nfs/dbraw/zinc/17/16/09/628171609.db2.gz	IFUJFFFSRMLZMW-UHFFFAOYSA-N	-1	0	264.325	2.793	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000777468777	628228698	/nfs/dbraw/zinc/22/86/98/628228698.db2.gz	ZPZBEXWHJLGIIZ-DAFODLJHSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2cc(Cl)ccn2)ccc1[O-]	ZINC000777905541	628264156	/nfs/dbraw/zinc/26/41/56/628264156.db2.gz	LJOXXXOPPMSKAR-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2cc(Cl)ccn2)cc1	ZINC000777907584	628264531	/nfs/dbraw/zinc/26/45/31/628264531.db2.gz	WSQZHUCAXATAQO-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Cc1cnc(C(=O)Nc2ccccc2O[C@H](C)C#N)c([O-])c1	ZINC000779065467	628349434	/nfs/dbraw/zinc/34/94/34/628349434.db2.gz	RJIHYCUUAUAQQE-LLVKDONJSA-N	-1	0	297.314	2.639	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779358468	628376426	/nfs/dbraw/zinc/37/64/26/628376426.db2.gz	QWRQXCVIHNMKOO-WAPJZHGLSA-N	-1	0	298.294	2.995	20	30		CFEDRM
CC[C@H]1C[C@H](CN=Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000779754358	628399965	/nfs/dbraw/zinc/39/99/65/628399965.db2.gz	HMJLFLPJVHRLBM-RISCZKNCSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000779754357	628400080	/nfs/dbraw/zinc/40/00/80/628400080.db2.gz	HMJLFLPJVHRLBM-FZMZJTMJSA-N	-1	0	276.336	2.988	20	30		CFEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccc(C(=O)[O-])cc2)CCO1	ZINC000779754362	628400125	/nfs/dbraw/zinc/40/01/25/628400125.db2.gz	HMJLFLPJVHRLBM-SMDDNHRTSA-N	-1	0	276.336	2.988	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ccc3n[nH]cc3c2)ccc1[O-]	ZINC000779817958	628410746	/nfs/dbraw/zinc/41/07/46/628410746.db2.gz	HJTGLPGHCYKDPW-UHFFFAOYSA-N	-1	0	297.274	2.623	20	30		CFEDRM
COC(=O)c1cccc(NN=Cc2ccc(C(=O)[O-])cc2)c1	ZINC000779825865	628411586	/nfs/dbraw/zinc/41/15/86/628411586.db2.gz	AUWDSTYAGFEGPG-UHFFFAOYSA-N	-1	0	298.298	2.617	20	30		CFEDRM
O=C([O-])c1ccc(NN=C2CCc3cc(O)ccc32)cc1	ZINC000780185831	628437622	/nfs/dbraw/zinc/43/76/22/628437622.db2.gz	ARBAIHPUZAJZQK-UHFFFAOYSA-N	-1	0	282.299	2.853	20	30		CFEDRM
CCSCCCN=Nc1ccc(C(=O)[O-])cc1OC	ZINC000781127214	628523945	/nfs/dbraw/zinc/52/39/45/628523945.db2.gz	HESYTELXHVEPKG-UHFFFAOYSA-N	-1	0	282.365	2.934	20	30		CFEDRM
CC(N=Nc1cccc(C(=O)[O-])c1)[C@@]1(C)CCCO1	ZINC000782109814	628605081	/nfs/dbraw/zinc/60/50/81/628605081.db2.gz	ANYGQQAEEUOBBR-CQSZACIVSA-N	-1	0	262.309	2.742	20	30		CFEDRM
O=C([O-])c1ccccc1N=NC[C@@H]1CCSC1	ZINC000782177994	628609445	/nfs/dbraw/zinc/60/94/45/628609445.db2.gz	YFLNNWUCLBTORW-VIFPVBQESA-N	-1	0	250.323	2.536	20	30		CFEDRM
CC(C)OCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000782336715	628630205	/nfs/dbraw/zinc/63/02/05/628630205.db2.gz	KGZLRBBQFIMZIU-UHFFFAOYSA-N	-1	0	279.384	2.767	20	30		CFEDRM
C[C@H](Oc1cccc(C=NNCCC(C)(C)C)c1)C(=O)[O-]	ZINC000782908110	628663007	/nfs/dbraw/zinc/66/30/07/628663007.db2.gz	PTGKRLODAJRHEV-LBPRGKRZSA-N	-1	0	292.379	2.898	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)o1	ZINC000784829714	628844220	/nfs/dbraw/zinc/84/42/20/628844220.db2.gz	YEDOACSCXMTHCU-ZDUSSCGKSA-N	-1	0	296.326	2.794	20	30		CFEDRM
CCCC(C)(C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000786470887	628959372	/nfs/dbraw/zinc/95/93/72/628959372.db2.gz	INTMSGJOSXIBQM-NSHDSACASA-N	-1	0	275.352	2.528	20	30		CFEDRM
CC#CC(=O)Nc1cc(Cl)cc(Br)c1[O-]	ZINC000788306005	629057160	/nfs/dbraw/zinc/05/71/60/629057160.db2.gz	SZLOHHKTIYOLAI-UHFFFAOYSA-N	-1	0	288.528	2.770	20	30		CFEDRM
Cc1cc(N=NC(C)c2cc(C(=O)[O-])ccc2C)nc(C)n1	ZINC000788425975	629065499	/nfs/dbraw/zinc/06/54/99/629065499.db2.gz	MAEUVOFEJYXCEH-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCC(C)(C)C	ZINC000805898240	629170057	/nfs/dbraw/zinc/17/00/57/629170057.db2.gz	DWTGYFVSDONMGW-LBPRGKRZSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CC(=Cc1ccc(Cl)nc1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000789829440	629190542	/nfs/dbraw/zinc/19/05/42/629190542.db2.gz	OCDPSSLKNKLCOQ-VMPITWQZSA-N	-1	0	286.722	2.559	20	30		CFEDRM
CC(=NNc1ncccc1C)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000790191736	629218945	/nfs/dbraw/zinc/21/89/45/629218945.db2.gz	XKVYUJFSBDSGNK-UHFFFAOYSA-N	-1	0	286.291	2.840	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(C2CCC2)cc1	ZINC000791770947	629354723	/nfs/dbraw/zinc/35/47/23/629354723.db2.gz	GVDFPRTZPOFWJD-HNNXBMFYSA-N	-1	0	282.343	2.579	20	30		CFEDRM
CCSc1ccccc1C(C)=NN[C@@H](CC)C(=O)[O-]	ZINC000793057115	629480769	/nfs/dbraw/zinc/48/07/69/629480769.db2.gz	KPWPGICACSBNBH-LBPRGKRZSA-N	-1	0	280.393	2.975	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(SC(F)F)cc1)C(=O)[O-]	ZINC000793056619	629480800	/nfs/dbraw/zinc/48/08/00/629480800.db2.gz	IFMUICJKAULPHF-JTQLQIEISA-N	-1	0	288.319	2.788	20	30		CFEDRM
CC[C@H](NN=Cc1cnc(C2CCCC2)s1)C(=O)[O-]	ZINC000793056926	629480846	/nfs/dbraw/zinc/48/08/46/629480846.db2.gz	YLFQLCRMLYREQO-NSHDSACASA-N	-1	0	281.381	2.587	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(-c2ccncc2)cc1)C(=O)[O-]	ZINC000793056533	629480860	/nfs/dbraw/zinc/48/08/60/629480860.db2.gz	VJTMTZVKWIORFS-INIZCTEOSA-N	-1	0	297.358	2.925	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H](c2ccccc2)[C@@H]1C)C(=O)[O-]	ZINC000793070482	629482385	/nfs/dbraw/zinc/48/23/85/629482385.db2.gz	BKQNRKHWSKCFNF-UHTWSYAYSA-N	-1	0	260.337	2.619	20	30		CFEDRM
CC[C@H](NN=C1CCC[C@@H](c2ncccc2C)C1)C(=O)[O-]	ZINC000793073079	629483624	/nfs/dbraw/zinc/48/36/24/629483624.db2.gz	YDYJXYXXRGVMFH-OCCSQVGLSA-N	-1	0	289.379	2.856	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000793073415	629483648	/nfs/dbraw/zinc/48/36/48/629483648.db2.gz	UWKZWAAKUDSLKB-SNVBAGLBSA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@H](NN=C(CC1CC1)c1ccccc1)C(=O)[O-]	ZINC000793073479	629483795	/nfs/dbraw/zinc/48/37/95/629483795.db2.gz	WGTKVQRUEBQYRB-ZDUSSCGKSA-N	-1	0	260.337	2.644	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000793072847	629483811	/nfs/dbraw/zinc/48/38/11/629483811.db2.gz	QKRJLJMBNCZRSU-LBPRGKRZSA-N	-1	0	293.323	2.505	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(OC(C)C)cc1)C(=O)[O-]	ZINC000793077774	629484576	/nfs/dbraw/zinc/48/45/76/629484576.db2.gz	IFLLTWVWBRWPCZ-CQSZACIVSA-N	-1	0	278.352	2.651	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc2cccc(OC)c2o1)C(=O)[O-]	ZINC000793080420	629484975	/nfs/dbraw/zinc/48/49/75/629484975.db2.gz	YSFDTDPKWSVDDU-NSHDSACASA-N	-1	0	290.319	2.618	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(C(C)C)cc1)C(=O)[O-]	ZINC000793080335	629485030	/nfs/dbraw/zinc/48/50/30/629485030.db2.gz	XHHINVYBXKTCCP-CQSZACIVSA-N	-1	0	262.353	2.987	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CC2CC(F)(F)C2)c1	ZINC000793654504	629582877	/nfs/dbraw/zinc/58/28/77/629582877.db2.gz	MBFUPEJWUVIQKC-VIZOYTHASA-N	-1	0	270.235	2.765	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)CSCc1ccc(C#N)cc1	ZINC000794854744	629695205	/nfs/dbraw/zinc/69/52/05/629695205.db2.gz	WRVOERQJQCBEPP-LBPRGKRZSA-N	-1	0	292.404	2.885	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1ccnc(F)c1	ZINC000794854588	629695299	/nfs/dbraw/zinc/69/52/99/629695299.db2.gz	IRFPJMBLZIUJRY-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
CC(C)n1nccc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000794935746	629707124	/nfs/dbraw/zinc/70/71/24/629707124.db2.gz	AQXRYMAOKXWQNI-BQYQJAHWSA-N	-1	0	298.342	2.987	20	30		CFEDRM
Cn1cc2c(n1)CC/C(=C/c1cc(F)c([O-])c(F)c1)C2=O	ZINC000794962680	629710290	/nfs/dbraw/zinc/71/02/90/629710290.db2.gz	USNHDXCHAPJPCV-WTKPLQERSA-N	-1	0	290.269	2.616	20	30		CFEDRM
O=C1Nc2cccc(Cl)c2C1=N[N-]c1ncccc1F	ZINC000794990961	629718427	/nfs/dbraw/zinc/71/84/27/629718427.db2.gz	RZNRJYFHQSYHPN-UHFFFAOYSA-N	-1	0	290.685	2.642	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1sc(C)cc1C	ZINC000835512170	629808425	/nfs/dbraw/zinc/80/84/25/629808425.db2.gz	KMIXUUYUIQGUBV-UHFFFAOYSA-N	-1	0	287.406	2.526	20	30		CFEDRM
CCc1ccc2occ(C([O-])=C(C#N)C(=O)NC(C)C)c2c1	ZINC000796791214	629968335	/nfs/dbraw/zinc/96/83/35/629968335.db2.gz	DJFNYCQSNSIQNY-ZDUSSCGKSA-N	-1	0	298.342	2.842	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	ZINC000797705026	630097357	/nfs/dbraw/zinc/09/73/57/630097357.db2.gz	XCICECIEBHOBKE-HZSPNIEDSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](CC)c1ccc(C)cc1	ZINC000797718004	630098174	/nfs/dbraw/zinc/09/81/74/630098174.db2.gz	LSUXTMYLRJVXIU-AWEZNQCLSA-N	-1	0	290.363	2.728	20	30		CFEDRM
C[C@@H]1CC[C@@H](C=Nn2c(=O)c3ccccc3[n-]c2=S)C1	ZINC000800809300	630406575	/nfs/dbraw/zinc/40/65/75/630406575.db2.gz	IPRDEAGSBLAZPM-GHMZBOCLSA-N	-1	0	287.388	2.955	20	30		CFEDRM
Cc1[nH]c(CN=Nc2cc(Cl)ccn2)cc1C(=O)[O-]	ZINC000800815691	630407682	/nfs/dbraw/zinc/40/76/82/630407682.db2.gz	KGHNAXPCPAINHJ-UHFFFAOYSA-N	-1	0	278.699	2.516	20	30		CFEDRM
CC1(C)SC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000801646430	630463762	/nfs/dbraw/zinc/46/37/62/630463762.db2.gz	RFFMTTGFTZJDBO-HOVAHTAHSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=CCCCCCCNC(=O)C[C@@]1(C(=O)[O-])CCSC1	ZINC000804599860	630762843	/nfs/dbraw/zinc/76/28/43/630762843.db2.gz	RSWMERDIHGDKIR-HNNXBMFYSA-N	-1	0	299.436	2.837	20	30		CFEDRM
C#Cc1cncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1	ZINC000807261277	630871333	/nfs/dbraw/zinc/87/13/33/630871333.db2.gz	SMOZFIRRPLVJKX-UHFFFAOYSA-N	-1	0	290.681	2.813	20	30		CFEDRM
C[C@H]1CC=C(C(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000836780388	630881638	/nfs/dbraw/zinc/88/16/38/630881638.db2.gz	SUTWXEGHZFUCCP-JTQLQIEISA-N	-1	0	256.305	2.949	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1	ZINC000837047939	630945939	/nfs/dbraw/zinc/94/59/39/630945939.db2.gz	KZUNTLKJKXEXQN-AGIUHOORSA-N	-1	0	255.358	2.594	20	30		CFEDRM
Cc1cncc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000809158420	631091459	/nfs/dbraw/zinc/09/14/59/631091459.db2.gz	YIURCSFIKHJSAI-RQOWECAXSA-N	-1	0	283.283	2.690	20	30		CFEDRM
O=C(C#CC1CC1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000837652985	631097606	/nfs/dbraw/zinc/09/76/06/631097606.db2.gz	GONZBJGPTMIGLD-UHFFFAOYSA-N	-1	0	284.142	2.729	20	30		CFEDRM
C[C@@H]1CC[C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])O1	ZINC000840708903	631175675	/nfs/dbraw/zinc/17/56/75/631175675.db2.gz	FRSKWHGVMDBDPD-GMWWZTKCSA-N	-1	0	298.726	2.940	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000042301416	649997452	/nfs/dbraw/zinc/99/74/52/649997452.db2.gz	HXZSJNIGDPMGIN-UHFFFAOYSA-N	-1	0	299.735	2.935	20	30		CFEDRM
C#CCCCS(=O)(=O)[N-]c1noc2ccc(Cl)cc21	ZINC000840950081	631279245	/nfs/dbraw/zinc/27/92/45/631279245.db2.gz	JLYRZIIDWBTUIT-UHFFFAOYSA-N	-1	0	298.751	2.636	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)n1	ZINC000810559120	631391269	/nfs/dbraw/zinc/39/12/69/631391269.db2.gz	MAUZAFLFFFVGDP-UHFFFAOYSA-N	-1	0	296.311	2.635	20	30		CFEDRM
CC(NNc1ccc(C(=O)[O-])cc1F)=C1CC1(F)F	ZINC000841642001	631441675	/nfs/dbraw/zinc/44/16/75/631441675.db2.gz	ZOOONLICVYDNRY-QMMMGPOBSA-N	-1	0	272.226	2.967	20	30		CFEDRM
C=C[C@H](CCC(=O)[O-])[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000841811870	631474746	/nfs/dbraw/zinc/47/47/46/631474746.db2.gz	PZTVRSNKEAHBBK-MRVPVSSYSA-N	-1	0	287.718	2.694	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)c2occc2C(C)C)CC1	ZINC000810987571	631491221	/nfs/dbraw/zinc/49/12/21/631491221.db2.gz	QIRHSEFXVKUTOI-UHFFFAOYSA-N	-1	0	297.376	2.571	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CC2(C)CCCC2)CC1	ZINC000810984470	631491438	/nfs/dbraw/zinc/49/14/38/631491438.db2.gz	CBDMYHODBKYFFG-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2ccc([O-])c(F)c2)n1	ZINC000811689514	631606255	/nfs/dbraw/zinc/60/62/55/631606255.db2.gz	FQPHVJMCEGZOHN-ARJAWSKDSA-N	-1	0	274.276	2.756	20	30		CFEDRM
C=CCSCCNC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811822010	631628161	/nfs/dbraw/zinc/62/81/61/631628161.db2.gz	YIABPEKPMBYQQV-UHFFFAOYSA-N	-1	0	299.779	2.687	20	30		CFEDRM
CC(C)Cn1nccc1C=NNc1ccc(C(=O)[O-])cc1	ZINC000842523165	631651722	/nfs/dbraw/zinc/65/17/22/631651722.db2.gz	WASOTKQUWBAWQD-UHFFFAOYSA-N	-1	0	286.335	2.683	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC23CC(C2)C3)c1Cl	ZINC000842544455	631660134	/nfs/dbraw/zinc/66/01/34/631660134.db2.gz	TZVLVWHFOZOSSH-UHFFFAOYSA-N	-1	0	264.712	2.514	20	30		CFEDRM
Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(C(F)F)n1	ZINC000812221793	631669592	/nfs/dbraw/zinc/66/95/92/631669592.db2.gz	DUIBPEOILSCBTM-UHFFFAOYSA-N	-1	0	294.261	2.502	20	30		CFEDRM
Cn1cc(/C=C/C(=O)c2ccccc2[O-])c(C(F)F)n1	ZINC000812243606	631677918	/nfs/dbraw/zinc/67/79/18/631677918.db2.gz	PKBRCZUCBLHZTK-VOTSOKGWSA-N	-1	0	278.258	2.959	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1csc(C)n1	ZINC000812369740	631697269	/nfs/dbraw/zinc/69/72/69/631697269.db2.gz	POBPXWPFWLVNLP-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1O	ZINC000812443004	631719186	/nfs/dbraw/zinc/71/91/86/631719186.db2.gz	KZVWYTHIPOCCEV-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
Cc1nn(C)c(Cl)c1C=NNc1ccc(C(=O)[O-])cc1	ZINC000812486602	631724939	/nfs/dbraw/zinc/72/49/39/631724939.db2.gz	XOGGJKFYQOVCIW-UHFFFAOYSA-N	-1	0	292.726	2.526	20	30		CFEDRM
C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@H]1C(=O)[O-]	ZINC000843037368	631808346	/nfs/dbraw/zinc/80/83/46/631808346.db2.gz	WXFRIEUKMNTTTP-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
O=C([O-])CCOc1cccc(C=NOCCC2CC2)c1	ZINC000814247190	632045963	/nfs/dbraw/zinc/04/59/63/632045963.db2.gz	VQPNDLOREHABOS-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-]	ZINC000814682880	632108147	/nfs/dbraw/zinc/10/81/47/632108147.db2.gz	SVQMWPFPHXFXRM-RNCFNFMXSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(CN=Nc2ccccc2[N+](=O)[O-])c1	ZINC000814686248	632108886	/nfs/dbraw/zinc/10/88/86/632108886.db2.gz	ZEFHVYSEPSBRRK-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)nn1	ZINC000814698279	632110653	/nfs/dbraw/zinc/11/06/53/632110653.db2.gz	XOHAANPUHWJBRR-UHFFFAOYSA-N	-1	0	282.731	2.563	20	30		CFEDRM
C[C@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1nc2ccccc2[nH]1	ZINC000814708672	632111651	/nfs/dbraw/zinc/11/16/51/632111651.db2.gz	KHWFUJSSSNFBQT-UWVGGRQHSA-N	-1	0	286.335	2.852	20	30		CFEDRM
C[C@@H]1CC(N=Nc2nncc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000814706349	632111716	/nfs/dbraw/zinc/11/17/16/632111716.db2.gz	XZVRIQAUALMFKD-MFKMUULPSA-N	-1	0	298.346	2.919	20	30		CFEDRM
CCCCCNC(=S)NN=C1CC[C@H](C(=O)[O-])C[C@H]1C	ZINC000814763435	632118902	/nfs/dbraw/zinc/11/89/02/632118902.db2.gz	CNAJQFYUNKBUHB-MNOVXSKESA-N	-1	0	299.440	2.518	20	30		CFEDRM
CC(N=Nc1cncc(Cl)n1)c1csc(C(=O)[O-])c1	ZINC000814797806	632126426	/nfs/dbraw/zinc/12/64/26/632126426.db2.gz	PUWKSNHSHQPTEM-UHFFFAOYSA-N	-1	0	296.739	2.726	20	30		CFEDRM
C[C@H]1C(=NNCc2cccc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814804741	632128008	/nfs/dbraw/zinc/12/80/08/632128008.db2.gz	CXBQJRRDNJXHCP-ZYHUDNBSSA-N	-1	0	278.327	2.792	20	30		CFEDRM
CC(=NNC1CCCC1)c1cccc(O[C@@H](C)C(=O)[O-])c1	ZINC000814832757	632134557	/nfs/dbraw/zinc/13/45/57/632134557.db2.gz	MPMHMMMGEHCIOJ-LBPRGKRZSA-N	-1	0	290.363	2.795	20	30		CFEDRM
Cc1ccc(N=NC2CCCc3cc(C(=O)[O-])ccc32)nn1	ZINC000814840832	632136131	/nfs/dbraw/zinc/13/61/31/632136131.db2.gz	SBBPBFMOBOLTSF-UHFFFAOYSA-N	-1	0	296.330	2.636	20	30		CFEDRM
Cc1ccc(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)nn1	ZINC000814840992	632136480	/nfs/dbraw/zinc/13/64/80/632136480.db2.gz	WZZNUIBIHPILGW-QWRGUYRKSA-N	-1	0	290.367	2.710	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc(F)cn2)CC[C@H]1C(=O)[O-]	ZINC000814842273	632136926	/nfs/dbraw/zinc/13/69/26/632136926.db2.gz	ACOUHPHYQGFIKD-GZMMTYOYSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CCC(CC)NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814851610	632138653	/nfs/dbraw/zinc/13/86/53/632138653.db2.gz	QYWWWDBVZGIDFQ-UHFFFAOYSA-N	-1	0	274.364	2.937	20	30		CFEDRM
Cc1ccnc(NN=Cc2cccc(C(=O)[O-])c2)c1	ZINC000814867881	632142468	/nfs/dbraw/zinc/14/24/68/632142468.db2.gz	HDIUZNKVOASQBZ-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
Cc1cccc(CNN=C2CC[C@H](C(=O)[O-])[C@H](C)C2)c1	ZINC000814873373	632144842	/nfs/dbraw/zinc/14/48/42/632144842.db2.gz	YLSOGDGAQKBPAA-DOMZBBRYSA-N	-1	0	274.364	2.961	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NNC[C@H](C)C#N	ZINC000814881200	632147041	/nfs/dbraw/zinc/14/70/41/632147041.db2.gz	LAWQXJMEZKUTSJ-LLVKDONJSA-N	-1	0	253.346	2.537	20	30		CFEDRM
CC(C)CON=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814883915	632148458	/nfs/dbraw/zinc/14/84/58/632148458.db2.gz	HIALMCABLKIROL-UHFFFAOYSA-N	-1	0	261.321	2.831	20	30		CFEDRM
CC(=NO[C@H]1CCCCO1)c1csc(C(=O)[O-])c1	ZINC000814887139	632148996	/nfs/dbraw/zinc/14/89/96/632148996.db2.gz	JFRRWHCJTHZOLW-NSHDSACASA-N	-1	0	269.322	2.714	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@H]1C1CC1	ZINC000814887386	632149178	/nfs/dbraw/zinc/14/91/78/632149178.db2.gz	NHZAXXPYAFHDRR-NSHDSACASA-N	-1	0	274.320	2.981	20	30		CFEDRM
C[C@@H]1CC(=NNCc2ccccc2)CC[C@@H]1C(=O)[O-]	ZINC000814888322	632150170	/nfs/dbraw/zinc/15/01/70/632150170.db2.gz	VSPHYUNUHOBCAJ-RISCZKNCSA-N	-1	0	260.337	2.653	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@H](C(=O)[O-])C[C@@H]1C	ZINC000814911364	632160711	/nfs/dbraw/zinc/16/07/11/632160711.db2.gz	DKAIRLOUCRUWOQ-QWRGUYRKSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC000814911311	632160860	/nfs/dbraw/zinc/16/08/60/632160860.db2.gz	ATDPJLSHIOPADA-CMPLNLGQSA-N	-1	0	261.325	2.679	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NNC1CCCCC1	ZINC000814910526	632160953	/nfs/dbraw/zinc/16/09/53/632160953.db2.gz	ZKMBHFGCPTYOBM-UHFFFAOYSA-N	-1	0	252.358	2.930	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])=NOC[C@@H]1CCOC1	ZINC000814912251	632161628	/nfs/dbraw/zinc/16/16/28/632161628.db2.gz	NSPRCAZTFSKYSP-CYBMUJFWSA-N	-1	0	271.357	2.841	20	30		CFEDRM
CC[C@@H](C)NN=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814913746	632162309	/nfs/dbraw/zinc/16/23/09/632162309.db2.gz	UHJSRJBCNYYDFP-SNVBAGLBSA-N	-1	0	260.337	2.618	20	30		CFEDRM
CC[C@@H](C)NN=C1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814913590	632162503	/nfs/dbraw/zinc/16/25/03/632162503.db2.gz	QRORVNDNFMGXPW-ZRKZCGFPSA-N	-1	0	260.337	2.547	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814916583	632163255	/nfs/dbraw/zinc/16/32/55/632163255.db2.gz	JECAKOWUFFNCFJ-WDEREUQCSA-N	-1	0	290.367	2.889	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CC[C@@H](C(=O)[O-])C[C@H]1C	ZINC000814916580	632163382	/nfs/dbraw/zinc/16/33/82/632163382.db2.gz	JECAKOWUFFNCFJ-GHMZBOCLSA-N	-1	0	290.367	2.889	20	30		CFEDRM
C[C@H]1C(=NNCC2CCCC2)CC[C@@H]1CC(=O)[O-]	ZINC000814933473	632171813	/nfs/dbraw/zinc/17/18/13/632171813.db2.gz	PCWHRRYQEQBARY-ZYHUDNBSSA-N	-1	0	252.358	2.643	20	30		CFEDRM
CC(N=NC[C@H]1CCSC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814934701	632172600	/nfs/dbraw/zinc/17/26/00/632172600.db2.gz	CDTRSIYKTPOSFU-UPJWGTAASA-N	-1	0	298.452	2.842	20	30		CFEDRM
CC(=NNC[C@@H]1CCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814934501	632172746	/nfs/dbraw/zinc/17/27/46/632172746.db2.gz	AHUNQIZXBQXBEO-AAEUAGOBSA-N	-1	0	286.441	2.986	20	30		CFEDRM
CC(N=Nc1ncncc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000814939864	632175118	/nfs/dbraw/zinc/17/51/18/632175118.db2.gz	GUHHCIYUXMGZER-SECBINFHSA-N	-1	0	282.319	2.685	20	30		CFEDRM
C[C@H]1C(N=Nc2ncncc2F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814939933	632175379	/nfs/dbraw/zinc/17/53/79/632175379.db2.gz	JQOZYWXIOIDXSA-DTWKUNHWSA-N	-1	0	294.330	2.541	20	30		CFEDRM
CC(=NOCCC1CC1)c1cc(C(=O)[O-])cs1	ZINC000814941937	632176259	/nfs/dbraw/zinc/17/62/59/632176259.db2.gz	ZQJRRVXNIREVRX-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
CCCCCCOc1ccc(C=NNCC(=O)[O-])cc1	ZINC000814956815	632179084	/nfs/dbraw/zinc/17/90/84/632179084.db2.gz	MERPXCYFGSQKGC-UHFFFAOYSA-N	-1	0	278.352	2.654	20	30		CFEDRM
O=C([O-])CNN=Cc1cc(Cl)ccc1OC1CCCC1	ZINC000814960054	632180038	/nfs/dbraw/zinc/18/00/38/632180038.db2.gz	JWLQKHKZQUUAKM-UHFFFAOYSA-N	-1	0	296.754	2.670	20	30		CFEDRM
O=C([O-])CNN=C1CCCc2c(Cl)sc(Cl)c21	ZINC000814958563	632180060	/nfs/dbraw/zinc/18/00/60/632180060.db2.gz	BPBNTQQRXCYXTA-UHFFFAOYSA-N	-1	0	293.175	2.770	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(Oc2ccccc2)cc1	ZINC000814958535	632180083	/nfs/dbraw/zinc/18/00/83/632180083.db2.gz	ZOFXDEQLMOCVCV-UHFFFAOYSA-N	-1	0	284.315	2.877	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(Oc2cccc(F)c2)cc1	ZINC000814960882	632180460	/nfs/dbraw/zinc/18/04/60/632180460.db2.gz	SGQBVFVTKMXCSK-UHFFFAOYSA-N	-1	0	288.278	2.626	20	30		CFEDRM
CC[C@](C)(CN=Nc1cccc(C(=O)[O-])c1C)OC	ZINC000844622313	632265733	/nfs/dbraw/zinc/26/57/33/632265733.db2.gz	BSQJTDBXHYXBHR-CQSZACIVSA-N	-1	0	264.325	2.906	20	30		CFEDRM
C=C[C@H](C)ON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000844623519	632266842	/nfs/dbraw/zinc/26/68/42/632266842.db2.gz	HKWHLAGMIZEJQN-QMMMGPOBSA-N	-1	0	263.293	2.918	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cc(C)nn1C	ZINC000844623310	632266937	/nfs/dbraw/zinc/26/69/37/632266937.db2.gz	LPEBCEIOWZNLDF-UHFFFAOYSA-N	-1	0	286.335	2.571	20	30		CFEDRM
Cc1c(NN=Cc2ccnn2C(C)C)cccc1C(=O)[O-]	ZINC000844623380	632267060	/nfs/dbraw/zinc/26/70/60/632267060.db2.gz	MOOUGXBYFHEEIJ-UHFFFAOYSA-N	-1	0	286.335	2.917	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@@H](C#N)CCc1ccccc1	ZINC000816981692	632545198	/nfs/dbraw/zinc/54/51/98/632545198.db2.gz	XWTVGIPPTLKYNO-DZGCQCFKSA-N	-1	0	274.364	2.853	20	30		CFEDRM
N#CC(C(=O)C1CC1)=C([O-])c1sccc1Br	ZINC000845847803	632579174	/nfs/dbraw/zinc/57/91/74/632579174.db2.gz	YXRWXQUIWYXWNK-ZETCQYMHSA-N	-1	0	298.161	2.812	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1c(C)cc(C)cc1Cl	ZINC000846152490	632649263	/nfs/dbraw/zinc/64/92/63/632649263.db2.gz	ULQKCJQNCFOPER-SNVBAGLBSA-N	-1	0	296.754	2.518	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1CCc2c1cccc2Cl	ZINC000846535542	632725688	/nfs/dbraw/zinc/72/56/88/632725688.db2.gz	DRKDUUBJLQXJOC-LBPRGKRZSA-N	-1	0	265.740	2.994	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1nc(-c2ccccc2)oc1C	ZINC000846538155	632727966	/nfs/dbraw/zinc/72/79/66/632727966.db2.gz	RBBGASLHVCGSEX-UHFFFAOYSA-N	-1	0	286.331	2.816	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(F)(F)c1ccc(F)cc1	ZINC000846539446	632728777	/nfs/dbraw/zinc/72/87/77/632728777.db2.gz	HQKNZGFUIAXDMG-UHFFFAOYSA-N	-1	0	259.227	2.541	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@]1(C)CCCc2ccccc21	ZINC000846540314	632729722	/nfs/dbraw/zinc/72/97/22/632729722.db2.gz	ZLBKCONGVCLOBK-MRXNPFEDSA-N	-1	0	259.349	2.905	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)CSCc1ccc(F)cc1	ZINC000846541881	632731284	/nfs/dbraw/zinc/73/12/84/632731284.db2.gz	OSKBSLDCOHJBNN-JTQLQIEISA-N	-1	0	269.341	2.681	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Oc1cccc(C)c1	ZINC000846545009	632732840	/nfs/dbraw/zinc/73/28/40/632732840.db2.gz	DJFDBHLWVOVNPU-OCCSQVGLSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(C)(C)c1ccc(F)cc1	ZINC000846544912	632733015	/nfs/dbraw/zinc/73/30/15/632733015.db2.gz	LGNXKCLFUUSWJL-JTQLQIEISA-N	-1	0	251.301	2.726	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1csc(-c2ccc(C)o2)n1	ZINC000846545642	632734079	/nfs/dbraw/zinc/73/40/79/632734079.db2.gz	YDIANQHPOLHRER-VIFPVBQESA-N	-1	0	292.360	2.876	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCc2sccc21	ZINC000846547702	632736501	/nfs/dbraw/zinc/73/65/01/632736501.db2.gz	LUCIOAIAUDAKPZ-MWLCHTKSSA-N	-1	0	251.351	2.790	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000846547613	632736672	/nfs/dbraw/zinc/73/66/72/632736672.db2.gz	BBSBENRTHPJSAD-IUODEOHRSA-N	-1	0	288.347	2.584	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)SCc1ccccc1	ZINC000846549382	632737208	/nfs/dbraw/zinc/73/72/08/632737208.db2.gz	JVHBHYHNEFPBAG-RYUDHWBXSA-N	-1	0	265.378	2.931	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)[C@H]1OCCc2sccc21	ZINC000846552444	632739852	/nfs/dbraw/zinc/73/98/52/632739852.db2.gz	HSPBQZWPHKNMAF-OUJBWJOFSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(C(F)(F)F)cc1	ZINC000846552014	632739952	/nfs/dbraw/zinc/73/99/52/632739952.db2.gz	YZEULEPNSRVDJD-VIFPVBQESA-N	-1	0	289.253	2.707	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846555263	632742200	/nfs/dbraw/zinc/74/22/00/632742200.db2.gz	TWODVZHPJLQJRO-HQJQHLMTSA-N	-1	0	290.146	2.649	20	30		CFEDRM
CCCCCCCCC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000106535661	632799236	/nfs/dbraw/zinc/79/92/36/632799236.db2.gz	YKBRSNDIZZALLC-CYBMUJFWSA-N	-1	0	257.374	2.962	20	30		CFEDRM
CC(C)(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000847624778	633011201	/nfs/dbraw/zinc/01/12/01/633011201.db2.gz	XXCWPNULWSEYMK-CQSZACIVSA-N	-1	0	284.359	2.585	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000848245020	633223032	/nfs/dbraw/zinc/22/30/32/633223032.db2.gz	RHXYTINTOCOQJT-CYBMUJFWSA-N	-1	0	282.771	2.567	20	30		CFEDRM
Cc1c(NN=Cc2cc3n(n2)CCCC3)cccc1C(=O)[O-]	ZINC000848415579	633253253	/nfs/dbraw/zinc/25/32/53/633253253.db2.gz	VHIWQULKQKXBMQ-UHFFFAOYSA-N	-1	0	298.346	2.672	20	30		CFEDRM
CC(C)OCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848414330	633253272	/nfs/dbraw/zinc/25/32/72/633253272.db2.gz	LZVMHGPXDGXEKP-UHFFFAOYSA-N	-1	0	264.325	2.527	20	30		CFEDRM
CC[C@H](C)[C@@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848415012	633253274	/nfs/dbraw/zinc/25/32/74/633253274.db2.gz	VGVJGLOLMVTLJO-SMDDNHRTSA-N	-1	0	278.352	2.773	20	30		CFEDRM
CC[C@H](C)[C@H](CN=Nc1ccc(CC(=O)[O-])cc1)OC	ZINC000848415006	633253342	/nfs/dbraw/zinc/25/33/42/633253342.db2.gz	VGVJGLOLMVTLJO-FZMZJTMJSA-N	-1	0	278.352	2.773	20	30		CFEDRM
CC(C)(F)CC/N=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000849171849	633579167	/nfs/dbraw/zinc/57/91/67/633579167.db2.gz	HJWYRXQMHZLUES-ZSOIEALJSA-N	-1	0	254.261	2.858	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc(O)cc1	ZINC000849240589	633588037	/nfs/dbraw/zinc/58/80/37/633588037.db2.gz	QFHNUQCJYRLGCH-TWGQIWQCSA-N	-1	0	269.304	2.605	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2cn(C3CCC3)nn2)c([O-])c1	ZINC000849247045	633590064	/nfs/dbraw/zinc/59/00/64/633590064.db2.gz	OSVQLVIPHHDQLX-VURMDHGXSA-N	-1	0	283.331	2.913	20	30		CFEDRM
C#CC[C@H]1CCCN(c2c3ccccc3nnc2C(=O)[O-])C1	ZINC000849348589	633624636	/nfs/dbraw/zinc/62/46/36/633624636.db2.gz	RAGXRMJJLOEOMC-LBPRGKRZSA-N	-1	0	295.342	2.568	20	30		CFEDRM
C#CC[C@@H]1CCCN(c2c3ccccc3nnc2C(=O)[O-])C1	ZINC000849348588	633625064	/nfs/dbraw/zinc/62/50/64/633625064.db2.gz	RAGXRMJJLOEOMC-GFCCVEGCSA-N	-1	0	295.342	2.568	20	30		CFEDRM
C=CCC1(NS(=O)(=O)c2ccccc2[O-])CCCCC1	ZINC000849396326	633630722	/nfs/dbraw/zinc/63/07/22/633630722.db2.gz	COPQCMHURLVNKA-UHFFFAOYSA-N	-1	0	295.404	2.950	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)CC#N	ZINC000850738900	634068410	/nfs/dbraw/zinc/06/84/10/634068410.db2.gz	GPEZXDTYAHHRLN-ZWNOBZJWSA-N	-1	0	293.326	2.918	20	30		CFEDRM
CO[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1	ZINC000852997993	634870928	/nfs/dbraw/zinc/87/09/28/634870928.db2.gz	GKQMWSNJMVIXIY-WNLSXJKCSA-N	-1	0	292.335	2.925	20	30		CFEDRM
CO[C@H](CN=Nc1ccc(C(=O)[O-])nc1)C1CCCCC1	ZINC000853354435	634981478	/nfs/dbraw/zinc/98/14/78/634981478.db2.gz	JBNWATWGDDEMHJ-CQSZACIVSA-N	-1	0	291.351	2.773	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NN1CCCC[C@@H]1C	ZINC000853382030	634989046	/nfs/dbraw/zinc/98/90/46/634989046.db2.gz	QUEXIWMFLLFMPU-GRYCIOLGSA-N	-1	0	252.358	2.738	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NOCC2CCC2)c1)C(=O)[O-]	ZINC000853439484	635000500	/nfs/dbraw/zinc/00/05/00/635000500.db2.gz	ILPCTXNUYXCSQB-LLVKDONJSA-N	-1	0	277.320	2.689	20	30		CFEDRM
O=C([O-])CCOc1ccc(C=NOCC2CCC2)cc1	ZINC000853439492	635000875	/nfs/dbraw/zinc/00/08/75/635000875.db2.gz	ISQLFKKMNJMYRT-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
CC#CCCCC(=O)n1[n-]c(=O)c2ccc(OC)cc21	ZINC000854506146	635320768	/nfs/dbraw/zinc/32/07/68/635320768.db2.gz	POMDLTKUGJRDTC-UHFFFAOYSA-N	-1	0	272.304	2.584	20	30		CFEDRM
C[C@H](C#N)N(C(=O)c1c(O)cccc1Cl)C1CC1	ZINC000855582563	635590197	/nfs/dbraw/zinc/59/01/97/635590197.db2.gz	JYUSKGQOPZVMTL-MRVPVSSYSA-N	-1	0	264.712	2.562	20	30		CFEDRM
C#CCO[N-]C(=O)C1(Sc2ccccc2)CCCC1	ZINC000855603380	635596205	/nfs/dbraw/zinc/59/62/05/635596205.db2.gz	NCCYZURBTMIMJO-UHFFFAOYSA-N	-1	0	275.373	2.773	20	30		CFEDRM
C=CCCO[N-]C(=O)CSCc1ccc(F)cc1	ZINC000856028722	635704218	/nfs/dbraw/zinc/70/42/18/635704218.db2.gz	MPXFYYKKEINGOP-UHFFFAOYSA-N	-1	0	269.341	2.683	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Sc1ccc(OC)cc1	ZINC000856030595	635705345	/nfs/dbraw/zinc/70/53/45/635705345.db2.gz	JJQFXEBKZVXTFS-LLVKDONJSA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](C)Oc1ccc(F)cc1Cl	ZINC000856032687	635707744	/nfs/dbraw/zinc/70/77/44/635707744.db2.gz	SMXARAXJKWTZND-SECBINFHSA-N	-1	0	287.718	2.870	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](CC)Oc1ccccc1C	ZINC000856032937	635707883	/nfs/dbraw/zinc/70/78/83/635707883.db2.gz	TVNQLRXHFPVDQH-ZDUSSCGKSA-N	-1	0	263.337	2.776	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cccc(Cl)c2)CC(=O)C1	ZINC000856035909	635709768	/nfs/dbraw/zinc/70/97/68/635709768.db2.gz	NEQCHEMQANAOCF-UHFFFAOYSA-N	-1	0	293.750	2.565	20	30		CFEDRM
C=CCCO[N-]C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000856036189	635709978	/nfs/dbraw/zinc/70/99/78/635709978.db2.gz	VFLAYHFIMFJLBP-UHFFFAOYSA-N	-1	0	276.311	2.599	20	30		CFEDRM
CCCC[C@H](ON=C(C)C)C(=O)[N-]OCC1CCC1	ZINC000856349988	635792480	/nfs/dbraw/zinc/79/24/80/635792480.db2.gz	NIUAYFOWYQYRDP-ZDUSSCGKSA-N	-1	0	270.373	2.806	20	30		CFEDRM
O=C(COC1CCCCC1)[N-]S(=O)(=O)c1ccccc1	ZINC000048407023	650265454	/nfs/dbraw/zinc/26/54/54/650265454.db2.gz	OROIQRQRQUQOGJ-UHFFFAOYSA-N	-1	0	297.376	2.681	20	30		CFEDRM
CC(C)c1ccc(SCC(=O)[N-]S(C)(=O)=O)cc1	ZINC000048481087	650268749	/nfs/dbraw/zinc/26/87/49/650268749.db2.gz	CNEKSQAXCOHRHW-UHFFFAOYSA-N	-1	0	287.406	2.818	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1F	ZINC000048499528	650269371	/nfs/dbraw/zinc/26/93/71/650269371.db2.gz	MBWMTWNGSONKIX-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000048519026	650269769	/nfs/dbraw/zinc/26/97/69/650269769.db2.gz	SDJBCTILTUAHCS-UHFFFAOYSA-N	-1	0	271.338	2.531	20	30		CFEDRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519777	650270026	/nfs/dbraw/zinc/27/00/26/650270026.db2.gz	DHGGSRZTWZSJMN-UHFFFAOYSA-N	-1	0	277.292	2.656	20	30		CFEDRM
C#Cc1cccc([N-]S(=O)(=O)c2cc(C)ccc2F)c1	ZINC000048653767	650274238	/nfs/dbraw/zinc/27/42/38/650274238.db2.gz	YRXWAXPSOQQOLE-UHFFFAOYSA-N	-1	0	289.331	2.916	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2CCOCC2)c1[O-]	ZINC000194613660	636794651	/nfs/dbraw/zinc/79/46/51/636794651.db2.gz	UXNNGQUDEZBVGJ-OVCLIPMQSA-N	-1	0	298.726	2.799	20	30		CFEDRM
CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F	ZINC000075040242	650312039	/nfs/dbraw/zinc/31/20/39/650312039.db2.gz	CPVDQUJNVPDAEK-QMMMGPOBSA-N	-1	0	291.369	2.531	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@@H](C)CC)c1	ZINC000861898135	637254420	/nfs/dbraw/zinc/25/44/20/637254420.db2.gz	CWGOVYZNMMLOQX-NWDGAFQWSA-N	-1	0	290.363	2.761	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000118779491	637283872	/nfs/dbraw/zinc/28/38/72/637283872.db2.gz	MGLZCNMCJJKKIT-VIFPVBQESA-N	-1	0	289.360	2.738	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCCO1	ZINC000863118384	637563810	/nfs/dbraw/zinc/56/38/10/637563810.db2.gz	WFIWYTMSBPDJMR-CYBMUJFWSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000864166778	637900217	/nfs/dbraw/zinc/90/02/17/637900217.db2.gz	TUNNIHUNKJTAJQ-WFASDCNBSA-N	-1	0	285.343	2.636	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](C[C@@H]1CCCOC1)C(=O)[O-]	ZINC000864174694	637901769	/nfs/dbraw/zinc/90/17/69/637901769.db2.gz	KXFMGWZUDQOMSV-UONOGXRCSA-N	-1	0	299.411	2.733	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1	ZINC000864178489	637904469	/nfs/dbraw/zinc/90/44/69/637904469.db2.gz	BJFMKNXBWHWDQQ-MXMFLMJRSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-]	ZINC000864182936	637906463	/nfs/dbraw/zinc/90/64/63/637906463.db2.gz	FVMJRKSWQPNVJK-WPRPVWTQSA-N	-1	0	287.768	2.564	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000864183162	637906769	/nfs/dbraw/zinc/90/67/69/637906769.db2.gz	CSAXAWUOJMKKKM-SDDRHHMPSA-N	-1	0	299.798	2.937	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000864183166	637906836	/nfs/dbraw/zinc/90/68/36/637906836.db2.gz	CSAXAWUOJMKKKM-WOPDTQHZSA-N	-1	0	299.798	2.937	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)c1ccccc1CC)C(=O)[O-]	ZINC000864186240	637908361	/nfs/dbraw/zinc/90/83/61/637908361.db2.gz	LIJPZELBYBEKJE-LBPRGKRZSA-N	-1	0	281.739	2.575	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C(C)=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000864186943	637908688	/nfs/dbraw/zinc/90/86/88/637908688.db2.gz	AGWQLBKJIOGDFU-FPAJZGIOSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1ccc(C(F)F)o1)C(=O)[O-]	ZINC000864189743	637909226	/nfs/dbraw/zinc/90/92/26/637909226.db2.gz	SVRZXULYRMKWLV-ZCFIWIBFSA-N	-1	0	293.653	2.543	20	30		CFEDRM
COC(C)(C)CC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000864347197	637947573	/nfs/dbraw/zinc/94/75/73/637947573.db2.gz	MCCNYHRUWLCAFC-NTEUORMPSA-N	-1	0	266.297	2.534	20	30		CFEDRM
C=CCCCCCNC(=O)N[C@H](CC(=C)Cl)C(=O)[O-]	ZINC000864527570	638011938	/nfs/dbraw/zinc/01/19/38/638011938.db2.gz	DPDVEWHOGXIVBD-LLVKDONJSA-N	-1	0	288.775	2.628	20	30		CFEDRM
CCCn1cc(/C=C\C(=O)c2ccc(C)cc2[O-])nn1	ZINC000865220790	638226822	/nfs/dbraw/zinc/22/68/22/638226822.db2.gz	QGOHYRGBWJXTSC-ALCCZGGFSA-N	-1	0	271.320	2.598	20	30		CFEDRM
Cc1csc(C[NH2+][C@H](C)c2cccc(C#N)c2[O-])n1	ZINC000866224232	638773565	/nfs/dbraw/zinc/77/35/65/638773565.db2.gz	SBUVROMHUGLNTA-SNVBAGLBSA-N	-1	0	273.361	2.880	20	30		CFEDRM
C[C@H]([NH2+][C@H](CCO)c1ccco1)c1cccc(C#N)c1[O-]	ZINC000866340771	638799427	/nfs/dbraw/zinc/79/94/27/638799427.db2.gz	LZJTUSQYZPVUGS-SMDDNHRTSA-N	-1	0	286.331	2.631	20	30		CFEDRM
CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1[O-]	ZINC000866366985	638806047	/nfs/dbraw/zinc/80/60/47/638806047.db2.gz	DYJIFOMDQQDWCO-NWDGAFQWSA-N	-1	0	284.363	2.892	20	30		CFEDRM
O=C(CC(F)(F)C(F)(F)F)[N-]OCCC(F)(F)F	ZINC000867550050	638884339	/nfs/dbraw/zinc/88/43/39/638884339.db2.gz	GDCODKIZMPOLFY-UHFFFAOYSA-N	-1	0	289.122	2.574	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1	ZINC000077940232	650465023	/nfs/dbraw/zinc/46/50/23/650465023.db2.gz	GWZTVRTVXRJXEQ-UHFFFAOYSA-N	-1	0	265.334	2.606	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	ZINC000869154143	639051181	/nfs/dbraw/zinc/05/11/81/639051181.db2.gz	NCRVWVAJNCZLOU-NSHDSACASA-N	-1	0	290.319	2.639	20	30		CFEDRM
C[C@@H]1CCCC[C@H]1OCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870692738	639774916	/nfs/dbraw/zinc/77/49/16/639774916.db2.gz	MFQBDLGCQIGOPF-IUODEOHRSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C2CC3(C2)CCCCC3)CC1	ZINC000870838587	641091507	/nfs/dbraw/zinc/09/15/07/641091507.db2.gz	GBXPMRUMFNXVRW-UHFFFAOYSA-N	-1	0	297.420	2.512	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1CCC#N	ZINC000871947767	641522950	/nfs/dbraw/zinc/52/29/50/641522950.db2.gz	CZJCIAWOUDYMFD-GFCCVEGCSA-N	-1	0	259.284	2.777	20	30		CFEDRM
CCc1c(C(C)C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871954769	641527967	/nfs/dbraw/zinc/52/79/67/641527967.db2.gz	NFMBIRDGVIPJQT-SNVBAGLBSA-N	-1	0	290.754	2.991	20	30		CFEDRM
CCC(N=Nc1ccccc1C(=O)[O-])[C@@H]1CCCOC1	ZINC000872338018	641759236	/nfs/dbraw/zinc/75/92/36/641759236.db2.gz	MANLVXVGKXRJFW-LLVKDONJSA-N	-1	0	276.336	2.989	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CCC[C@@H]1F	ZINC000872360119	641768217	/nfs/dbraw/zinc/76/82/17/641768217.db2.gz	BALGPBXENKKEGL-VIFPVBQESA-N	-1	0	266.272	2.683	20	30		CFEDRM
CC1(C)C[C@@H](NN=Cc2ccc(F)c(F)c2[O-])CCO1	ZINC000872365730	641772511	/nfs/dbraw/zinc/77/25/11/641772511.db2.gz	DHQKLCXFPYVCRP-JTQLQIEISA-N	-1	0	284.306	2.552	20	30		CFEDRM
CC[C@@H](NN=C(C)c1cc2c(ccnc2Cl)o1)C(=O)[O-]	ZINC000872376920	641780628	/nfs/dbraw/zinc/78/06/28/641780628.db2.gz	VOTNGNNKTBCNRF-SECBINFHSA-N	-1	0	295.726	2.658	20	30		CFEDRM
CC1(C)CCC(NN=Cc2c[nH]c(C(=O)[O-])c2)CC1	ZINC000872395102	641790224	/nfs/dbraw/zinc/79/02/24/641790224.db2.gz	CJTFFVYFJBHMQH-UHFFFAOYSA-N	-1	0	263.341	2.605	20	30		CFEDRM
O=C([O-])C1CCC(=NNC[C@@H]2CCCC2(F)F)CC1	ZINC000872405517	641795194	/nfs/dbraw/zinc/79/51/94/641795194.db2.gz	BFTKBLYXTGUMKX-AXDSSHIGSA-N	-1	0	274.311	2.642	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNC[C@@H]2CCCC2(F)F)ccc1[O-]	ZINC000872410588	641799249	/nfs/dbraw/zinc/79/92/49/641799249.db2.gz	OMACZNFVQMJKHK-JTQLQIEISA-N	-1	0	299.277	2.659	20	30		CFEDRM
O=C([O-])C1CCC(=NNCc2ccc3ccccc3n2)CC1	ZINC000872410048	641799298	/nfs/dbraw/zinc/79/92/98/641799298.db2.gz	STMWTTUJEATDDD-UHFFFAOYSA-N	-1	0	297.358	2.955	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1	ZINC000872741156	641917993	/nfs/dbraw/zinc/91/79/93/641917993.db2.gz	YKPMYLFGVUDJOF-OLZOCXBDSA-N	-1	0	297.395	2.507	20	30		CFEDRM
CCCCCCCNC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872881672	641955251	/nfs/dbraw/zinc/95/52/51/641955251.db2.gz	PZWJWWJTSZROIK-UHFFFAOYSA-N	-1	0	275.414	2.669	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000872885460	641955981	/nfs/dbraw/zinc/95/59/81/641955981.db2.gz	LFXLLWMUHRSYMP-SFHVURJKSA-N	-1	0	299.370	2.546	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-]	ZINC000873006085	641982845	/nfs/dbraw/zinc/98/28/45/641982845.db2.gz	YOCCDFFOQNSZBK-GHMZBOCLSA-N	-1	0	287.425	2.690	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NCc1ccccc1C(=O)[O-]	ZINC000874398590	642379679	/nfs/dbraw/zinc/37/96/79/642379679.db2.gz	NUCTWSOPHDMHFO-LBPRGKRZSA-N	-1	0	290.363	2.929	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000874405113	642380151	/nfs/dbraw/zinc/38/01/51/642380151.db2.gz	OFOZENUXTWCWPV-NWDGAFQWSA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC000874419599	642382021	/nfs/dbraw/zinc/38/20/21/642382021.db2.gz	BUDWEZYNLOOHDB-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1c(F)cccc1-c1cc(C=O)cc(C(=O)[O-])c1	ZINC000874969620	642566692	/nfs/dbraw/zinc/56/66/92/642566692.db2.gz	DSRGKONJEUPHRN-UHFFFAOYSA-N	-1	0	269.231	2.875	20	30		CFEDRM
CCCn1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2C)nn1	ZINC000876498137	642893603	/nfs/dbraw/zinc/89/36/03/642893603.db2.gz	PQWXUQJKDUHOLX-VOTSOKGWSA-N	-1	0	299.330	2.591	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)c1cccc(F)c1F	ZINC000086054635	650794937	/nfs/dbraw/zinc/79/49/37/650794937.db2.gz	MBOOXTGLOKZYFA-UHFFFAOYSA-N	-1	0	289.303	2.542	20	30		CFEDRM
CCOc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1	ZINC000086056569	650795459	/nfs/dbraw/zinc/79/54/59/650795459.db2.gz	QVYRXROUKLGRTL-UHFFFAOYSA-N	-1	0	297.376	2.662	20	30		CFEDRM
C=C(C)C[C@@H](NCc1cccc(Cl)c1[O-])C(=O)OC	ZINC000877690894	643456295	/nfs/dbraw/zinc/45/62/95/643456295.db2.gz	WCHDVKJYUOVLEI-GFCCVEGCSA-N	-1	0	283.755	2.643	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2scnc2C2CC2)c1	ZINC000089846888	650856140	/nfs/dbraw/zinc/85/61/40/650856140.db2.gz	ZVKQTRPSSPFNQG-UHFFFAOYSA-N	-1	0	285.328	2.850	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000089963614	650860526	/nfs/dbraw/zinc/86/05/26/650860526.db2.gz	YZBIOVYIBQJUIX-BAQGIRSFSA-N	-1	0	273.741	2.951	20	30		CFEDRM
CC1(C)CO[C@@H](CCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000879066622	644130461	/nfs/dbraw/zinc/13/04/61/644130461.db2.gz	PZHRKXLXIKOKFS-LBPRGKRZSA-N	-1	0	288.347	2.798	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127866270	644341356	/nfs/dbraw/zinc/34/13/56/644341356.db2.gz	LIMGJJGHQAVZBB-OAHLLOKOSA-N	-1	0	294.310	2.548	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@@H](C)C2	ZINC000092462863	650920216	/nfs/dbraw/zinc/92/02/16/650920216.db2.gz	ZQORPQGBFBDMIL-SNVBAGLBSA-N	-1	0	293.388	2.586	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cc1	ZINC000092467544	650920319	/nfs/dbraw/zinc/92/03/19/650920319.db2.gz	DBDOBNIVJCHTOH-JTQLQIEISA-N	-1	0	296.754	2.683	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H]2CCCO2)c1[O-]	ZINC000025257628	645316251	/nfs/dbraw/zinc/31/62/51/645316251.db2.gz	ZDFSXVYFABMZSE-XPWNQWCVSA-N	-1	0	284.699	2.552	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)c2ccsc2)c1	ZINC000304335998	651021925	/nfs/dbraw/zinc/02/19/25/651021925.db2.gz	WBLHXMLWRDWIFD-IAEDUXEVSA-N	-1	0	292.316	2.514	20	30		CFEDRM
CC1(C)CO[C@@H](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000887270691	647256563	/nfs/dbraw/zinc/25/65/63/647256563.db2.gz	RLZJUBIBBWHUIV-WFSQQTBHSA-N	-1	0	292.335	2.925	20	30		CFEDRM
COC[C@H]1C[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000887270327	647256645	/nfs/dbraw/zinc/25/66/45/647256645.db2.gz	MAPZWZDINKEURA-VRUVGMARSA-N	-1	0	298.726	2.798	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC000887326649	647272467	/nfs/dbraw/zinc/27/24/67/647272467.db2.gz	IXMTUSFQKDXHCN-GFCCVEGCSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)CC1	ZINC000887327145	647272888	/nfs/dbraw/zinc/27/28/88/647272888.db2.gz	YNUHFRDMLJZQKM-CQSZACIVSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-]	ZINC000887327153	647273207	/nfs/dbraw/zinc/27/32/07/647273207.db2.gz	YPQHBGMJTXFVTK-JTQLQIEISA-N	-1	0	255.358	2.594	20	30		CFEDRM
C#CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)C(C)C	ZINC000928624218	648937761	/nfs/dbraw/zinc/93/77/61/648937761.db2.gz	BMXOLWCPCYPVAT-UHFFFAOYSA-N	-1	0	274.345	2.600	20	30		CFEDRM
CC[C@H](C#N)NC(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000931330262	649410585	/nfs/dbraw/zinc/41/05/85/649410585.db2.gz	DFCBLXPHNVKQQR-SSDOTTSWSA-N	-1	0	273.119	2.731	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C1CC1	ZINC000932379549	649588663	/nfs/dbraw/zinc/58/86/63/649588663.db2.gz	QNNLZZQPUIPNPG-SNVBAGLBSA-N	-1	0	285.130	2.731	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3c(c2)OCO3)c1	ZINC000254754576	651094942	/nfs/dbraw/zinc/09/49/42/651094942.db2.gz	MSRJULONYPRVFP-UHFFFAOYSA-N	-1	0	286.243	2.780	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])c(F)c2F)c1	ZINC001243515816	782249058	/nfs/dbraw/zinc/24/90/58/782249058.db2.gz	YEARAPOJPMZEGG-UHFFFAOYSA-N	-1	0	292.216	2.930	20	30		CFEDRM
N#Cc1nc(-c2ccc(Cl)c([O-])c2)cc2nc[nH]c21	ZINC001243577255	782288152	/nfs/dbraw/zinc/28/81/52/782288152.db2.gz	VEFTXTMJOLCSCF-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
CCc1nc(C#N)cc(-c2ccc(Cl)c([O-])c2)n1	ZINC001243578946	782289656	/nfs/dbraw/zinc/28/96/56/782289656.db2.gz	MEJBBBISQAIKFI-UHFFFAOYSA-N	-1	0	259.696	2.937	20	30		CFEDRM
N#Cc1c([O-])csc1Nc1ccc2[nH]cnc2c1	ZINC001209844757	770141920	/nfs/dbraw/zinc/14/19/20/770141920.db2.gz	ORIJEJICUMQMLB-UHFFFAOYSA-N	-1	0	256.290	2.945	20	30		CFEDRM
Cc1ccc(Nc2nc(N(C)C)[n-]c(=O)c2N=O)c(C#N)c1	ZINC001210566293	770313948	/nfs/dbraw/zinc/31/39/48/770313948.db2.gz	XHNAYZBMCNQZKR-UHFFFAOYSA-N	-1	0	298.306	2.570	20	30		CFEDRM
COc1nccc(Nc2cc(C#N)c(F)cc2[O-])c1OC	ZINC001211093286	770433381	/nfs/dbraw/zinc/43/33/81/770433381.db2.gz	VWZJJMMVHSPWGP-UHFFFAOYSA-N	-1	0	289.266	2.559	20	30		CFEDRM
O=C(/C=C\c1ccc(F)nc1)c1cc(F)ccc1[O-]	ZINC000588523962	770929875	/nfs/dbraw/zinc/92/98/75/770929875.db2.gz	MOGXKFWFOYWPCZ-RJRFIUFISA-N	-1	0	261.227	2.962	20	30		CFEDRM
Cn1ncc(Cl)c1/C=C\C(=O)c1ccccc1[O-]	ZINC000588535290	770950699	/nfs/dbraw/zinc/95/06/99/770950699.db2.gz	ZUPHZMXJEBRDGE-SREVYHEPSA-N	-1	0	262.696	2.675	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)c([O-])c1	ZINC000588579042	775132584	/nfs/dbraw/zinc/13/25/84/775132584.db2.gz	LFBRIEWVRDAVHV-VURMDHGXSA-N	-1	0	285.347	2.943	20	30		CFEDRM
COC(=O)Cc1cccc(Nc2scc([O-])c2C#N)c1	ZINC001213709971	775138853	/nfs/dbraw/zinc/13/88/53/775138853.db2.gz	QAVDDVNMQDUWBO-UHFFFAOYSA-N	-1	0	288.328	2.784	20	30		CFEDRM
Cc1ccc(Nc2cc(F)cnc2C#N)cc1C(=O)[O-]	ZINC001211599099	775172521	/nfs/dbraw/zinc/17/25/21/775172521.db2.gz	APALZQVOFMOQEV-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
CCCCCCC[C@H](C)OCCS(=O)(=O)[O-]	ZINC001224568870	775221618	/nfs/dbraw/zinc/22/16/18/775221618.db2.gz	OJAAFDYEFLEFBK-NSHDSACASA-N	-1	0	252.376	2.640	20	30		CFEDRM
C#Cc1cccnc1Nc1ccc(C(=O)[O-])cc1C	ZINC001211616353	775251425	/nfs/dbraw/zinc/25/14/25/775251425.db2.gz	ITGVKKHPHZQRLQ-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225562879	775501472	/nfs/dbraw/zinc/50/14/72/775501472.db2.gz	NLSKSTUXKMQCAP-ZCFIWIBFSA-N	-1	0	262.762	2.701	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1nc(Cl)cc(=O)[n-]1	ZINC001225563199	775502615	/nfs/dbraw/zinc/50/26/15/775502615.db2.gz	SABJDOGMOCFKQL-VIFPVBQESA-N	-1	0	266.728	2.819	20	30		CFEDRM
C=C1O[C@H](CC)C(=O)C1Oc1ccccc1[S-]	ZINC001225588297	775514111	/nfs/dbraw/zinc/51/41/11/775514111.db2.gz	QPTMAHCUGRKLPX-SECBINFHSA-N	-1	0	250.319	2.964	20	30		CFEDRM
CCCCCCCC(=O)N[C@H]1CC=C(C(=O)[O-])C1	ZINC000694984909	775640294	/nfs/dbraw/zinc/64/02/94/775640294.db2.gz	JGRBPOBFQJKEOX-LBPRGKRZSA-N	-1	0	253.342	2.637	20	30		CFEDRM
C=C(C)C(=O)OC[C@@H](C)Oc1cccc([S-])c1	ZINC001226017437	775669485	/nfs/dbraw/zinc/66/94/85/775669485.db2.gz	YVVMVJKJRHFPSZ-SNVBAGLBSA-N	-1	0	252.335	2.862	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N	ZINC001226068461	775687721	/nfs/dbraw/zinc/68/77/21/775687721.db2.gz	PLYDDDQJHWQUPM-LDYMZIIASA-N	-1	0	296.248	2.858	20	30		CFEDRM
O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc(/C=N/O)c1)C2	ZINC001226110207	775702469	/nfs/dbraw/zinc/70/24/69/775702469.db2.gz	ONYSLBAZGKODOW-FCNRDGCESA-N	-1	0	298.298	2.949	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@H](C)OCc2ccccc2)c1C#N	ZINC001226222252	775741513	/nfs/dbraw/zinc/74/15/13/775741513.db2.gz	XBTMZQRJLDQECM-ZDUSSCGKSA-N	-1	0	298.342	2.951	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H]2CCOc3ccccc32)c1C#N	ZINC001226221031	775741781	/nfs/dbraw/zinc/74/17/81/775741781.db2.gz	GQZOBSULURMHSP-AWEZNQCLSA-N	-1	0	282.299	2.870	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C#N)c2cccc(F)c2)c1C#N	ZINC001226223825	775742566	/nfs/dbraw/zinc/74/25/66/775742566.db2.gz	VDJHJMZLYOZZRQ-ZDUSSCGKSA-N	-1	0	283.262	2.750	20	30		CFEDRM
C[C@@H](Oc1nccc(/C=N/O)n1)c1cccc(F)c1	ZINC001226253855	775756337	/nfs/dbraw/zinc/75/63/37/775756337.db2.gz	NCAPSBTZVZFKAW-PTPOTIKZSA-N	-1	0	261.256	2.564	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2[N+](=O)[O-])C1	ZINC001226330835	775781435	/nfs/dbraw/zinc/78/14/35/775781435.db2.gz	DFLJNDBFFPQYLW-CMPLNLGQSA-N	-1	0	291.307	2.770	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347887	775786310	/nfs/dbraw/zinc/78/63/10/775786310.db2.gz	WTKPMXAQIQHEPJ-MRVPVSSYSA-N	-1	0	274.242	2.772	20	30		CFEDRM
C#C[C@@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556584	775873126	/nfs/dbraw/zinc/87/31/26/775873126.db2.gz	PRLOVABOSDSGFX-SCZZXKLOSA-N	-1	0	289.722	2.565	20	30		CFEDRM
C=CC[C@@H](Oc1nc[n-]c(=O)c1Br)C(C)C	ZINC001226722072	775938603	/nfs/dbraw/zinc/93/86/03/775938603.db2.gz	NEJOYEUSVHMHFH-MRVPVSSYSA-N	-1	0	287.157	2.924	20	30		CFEDRM
C=C[C@@H](CC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226780876	775960814	/nfs/dbraw/zinc/96/08/14/775960814.db2.gz	CJOXTRVVLHLWRJ-ZETCQYMHSA-N	-1	0	273.130	2.597	20	30		CFEDRM
CC#CC[C@H](CC)Oc1n[n-]c(=O)cc1Br	ZINC001226849733	775990340	/nfs/dbraw/zinc/99/03/40/775990340.db2.gz	PTUCQJNKJZBWMF-QMMMGPOBSA-N	-1	0	285.141	2.516	20	30		CFEDRM
CC#CC[C@@H](CC)Oc1n[n-]c(=O)cc1Br	ZINC001226849732	775990939	/nfs/dbraw/zinc/99/09/39/775990939.db2.gz	PTUCQJNKJZBWMF-MRVPVSSYSA-N	-1	0	285.141	2.516	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)nc2cnccc21)[C@@H](CC)CCCC	ZINC001226973913	776040031	/nfs/dbraw/zinc/04/00/31/776040031.db2.gz	KIMYXTOPYNZMTB-SWLSCSKDSA-N	-1	0	299.374	2.915	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2ccccc21	ZINC001226977874	776044835	/nfs/dbraw/zinc/04/48/35/776044835.db2.gz	VNUFLXAJGJKRBM-ZWNOBZJWSA-N	-1	0	254.289	2.516	20	30		CFEDRM
C=C[C@H](Oc1[n-]c(=O)nc2[nH]ccc21)c1ccccc1	ZINC001227275187	776167869	/nfs/dbraw/zinc/16/78/69/776167869.db2.gz	VUMJVLJPVHJMPY-LBPRGKRZSA-N	-1	0	267.288	2.970	20	30		CFEDRM
Cc1ccc2nc(=O)[n-]c(O[C@@H]3CC[C@@H](C#N)C3)c2c1	ZINC001227350704	776183644	/nfs/dbraw/zinc/18/36/44/776183644.db2.gz	MZDQZQFDDPOWTH-GHMZBOCLSA-N	-1	0	269.304	2.715	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)CCCC2	ZINC000124458414	776209030	/nfs/dbraw/zinc/20/90/30/776209030.db2.gz	YGLBCCYWVAVQSN-MRXNPFEDSA-N	-1	0	296.370	2.510	20	30		CFEDRM
C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=S)nnc2C)O1	ZINC001227598162	776237754	/nfs/dbraw/zinc/23/77/54/776237754.db2.gz	GTVHFXLHYAAQQE-HZMBPMFUSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C[C@@H](Oc1ccc(O)c(C#N)c1C#N)C1=CC=C[CH]1	ZINC001227617919	776246588	/nfs/dbraw/zinc/24/65/88/776246588.db2.gz	JEVXIOWSRDADKH-SNVBAGLBSA-N	-1	0	251.265	2.603	20	30		CFEDRM
C=CCC(CC=C)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227713670	776266540	/nfs/dbraw/zinc/26/65/40/776266540.db2.gz	PXIRGHJAWLCIFJ-SECBINFHSA-N	-1	0	262.309	2.673	20	30		CFEDRM
N#Cc1cc(Nc2ccc(F)c(F)c2[O-])ccc1N	ZINC001213443418	776413651	/nfs/dbraw/zinc/41/36/51/776413651.db2.gz	JEAWCNIKCKXBAL-UHFFFAOYSA-N	-1	0	261.231	2.868	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21	ZINC001228240533	776431742	/nfs/dbraw/zinc/43/17/42/776431742.db2.gz	OOSTWRHSYKXCEE-MRVPVSSYSA-N	-1	0	275.264	2.587	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1ccc(-n2nn[n-]c2=S)cc1	ZINC001228439021	776491975	/nfs/dbraw/zinc/49/19/75/776491975.db2.gz	WHNYDRZGDWYMEU-LBPRGKRZSA-N	-1	0	288.376	2.522	20	30		CFEDRM
C#CC[C@@H](CC)Oc1c(O)ccc2c(C)cc(=O)oc21	ZINC001228621490	776542134	/nfs/dbraw/zinc/54/21/34/776542134.db2.gz	APOSRIDSPZBJIY-LLVKDONJSA-N	-1	0	272.300	2.988	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)ccc1C#N)c1cccc([N+](=O)[O-])c1	ZINC001228902541	776651642	/nfs/dbraw/zinc/65/16/42/776651642.db2.gz	RMIJEQUWNCCSFD-SECBINFHSA-N	-1	0	285.259	2.707	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1	ZINC001228900365	776651647	/nfs/dbraw/zinc/65/16/47/776651647.db2.gz	FGPJASWUIZBRJN-ZDUSSCGKSA-N	-1	0	265.272	2.693	20	30		CFEDRM
C[C@H](Oc1ncnc2ccc(C#N)cc21)C1=CC=C[CH]1	ZINC001229104546	776720192	/nfs/dbraw/zinc/72/01/92/776720192.db2.gz	UCWWPEYMUUGHJO-NSHDSACASA-N	-1	0	262.292	2.969	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229136430	776729071	/nfs/dbraw/zinc/72/90/71/776729071.db2.gz	BPWGZHKZXHPIHI-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137950	776730585	/nfs/dbraw/zinc/73/05/85/776730585.db2.gz	QNXIEPGJOYBDSZ-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137949	776730797	/nfs/dbraw/zinc/73/07/97/776730797.db2.gz	QNXIEPGJOYBDSZ-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
[O-]/N=C(\O[C@@H]1CCOC[C@@H]1F)c1ccc(Cl)cc1	ZINC001223593675	776737888	/nfs/dbraw/zinc/73/78/88/776737888.db2.gz	MCNLYTSKUZHWHD-LUNDZONKSA-N	-1	0	273.691	2.619	20	30		CFEDRM
C#C[C@H](CCC)Oc1c(O)c(OC)cc2ccc(=O)oc21	ZINC001229214831	776754436	/nfs/dbraw/zinc/75/44/36/776754436.db2.gz	HQKZSRHUGMYWKY-LLVKDONJSA-N	-1	0	288.299	2.688	20	30		CFEDRM
C#C[C@@H](CCC)Oc1[n-]c(=O)nc2c(C)cccc12	ZINC001229407822	776802509	/nfs/dbraw/zinc/80/25/09/776802509.db2.gz	PTIGFQIGWOFARH-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-]	ZINC001231072281	777131220	/nfs/dbraw/zinc/13/12/20/777131220.db2.gz	UEWZIPZZAJYMPT-ZETCQYMHSA-N	-1	0	287.703	2.867	20	30		CFEDRM
N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(OC2CC2)c1C#N	ZINC001231229072	777175592	/nfs/dbraw/zinc/17/55/92/777175592.db2.gz	YMNRDMWCXLIIAE-UHFFFAOYSA-N	-1	0	295.254	2.738	20	30		CFEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@H](C)C#C[Si](C)(C)C)[n-]1	ZINC001231265118	777180799	/nfs/dbraw/zinc/18/07/99/777180799.db2.gz	YOVNCNCTBXHPIC-SNVBAGLBSA-N	-1	0	294.383	2.652	20	30		CFEDRM
C=CC[C@@H](Oc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1	ZINC001231307713	777188773	/nfs/dbraw/zinc/18/87/73/777188773.db2.gz	IUTBTVSTYHWQTK-SNVBAGLBSA-N	-1	0	265.700	2.860	20	30		CFEDRM
N#CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O	ZINC001231455266	777223701	/nfs/dbraw/zinc/22/37/01/777223701.db2.gz	LWBDPAREPNOMFV-UHFFFAOYSA-N	-1	0	296.326	2.616	20	30		CFEDRM
CCCN(CCC#N)Cc1cc(C(=O)[O-])ccc1F	ZINC001231458082	777225694	/nfs/dbraw/zinc/22/56/94/777225694.db2.gz	QUCYKPVVYLWWRL-UHFFFAOYSA-N	-1	0	264.300	2.650	20	30		CFEDRM
C=CCOC(=O)[C@@H](Nc1ccccc1C(=O)[O-])[C@@H](C)CC	ZINC001167959994	777291146	/nfs/dbraw/zinc/29/11/46/777291146.db2.gz	RAWUFONIRUAWFR-FZMZJTMJSA-N	-1	0	291.347	2.941	20	30		CFEDRM
CCCCN(CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1	ZINC001231752877	777323998	/nfs/dbraw/zinc/32/39/98/777323998.db2.gz	QIUYEBVXVXUFSI-UHFFFAOYSA-N	-1	0	290.363	2.909	20	30		CFEDRM
Cc1ccsc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000126616493	777394321	/nfs/dbraw/zinc/39/43/21/777394321.db2.gz	PGIVUMJIQRYVHN-CYBMUJFWSA-N	-1	0	298.367	2.695	20	30		CFEDRM
Cc1ccccc1C([O-])=C(C#N)C(=O)NCc1ccccc1	ZINC000126628943	777404729	/nfs/dbraw/zinc/40/47/29/777404729.db2.gz	RYDYVKWQGPFHPD-INIZCTEOSA-N	-1	0	292.338	2.634	20	30		CFEDRM
Cc1cccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c1	ZINC000126642212	777419345	/nfs/dbraw/zinc/41/93/45/777419345.db2.gz	GYZRWNUNFIMPGA-MRXNPFEDSA-N	-1	0	292.338	2.634	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CC[C@H](CF)C(F)(F)C2)c1	ZINC001232673998	777638925	/nfs/dbraw/zinc/63/89/25/777638925.db2.gz	PLQNHPYPBPATPM-GFCCVEGCSA-N	-1	0	284.281	2.691	20	30		CFEDRM
CN(CCC#N)Cc1c([O-])cc(Br)cc1F	ZINC001233026942	777770401	/nfs/dbraw/zinc/77/04/01/777770401.db2.gz	IQAKOEZPFBIUSF-UHFFFAOYSA-N	-1	0	287.132	2.639	20	30		CFEDRM
N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(F)c1	ZINC000127235021	777938695	/nfs/dbraw/zinc/93/86/95/777938695.db2.gz	YTLAIQSFTZGNRM-AWEZNQCLSA-N	-1	0	288.322	2.597	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1n[n-]c(=O)cc1Cl	ZINC001233587680	777999175	/nfs/dbraw/zinc/99/91/75/777999175.db2.gz	WXSWRDJXEVDYAS-VIFPVBQESA-N	-1	0	254.717	2.797	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234530275	778244574	/nfs/dbraw/zinc/24/45/74/778244574.db2.gz	JSBKWROMUHEWLP-LBPRGKRZSA-N	-1	0	281.315	2.778	20	30		CFEDRM
C=C[C@@H](CC)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234529209	778245286	/nfs/dbraw/zinc/24/52/86/778245286.db2.gz	CTVYFSMRXGFMQJ-JTQLQIEISA-N	-1	0	255.277	2.550	20	30		CFEDRM
CCC[C@@H](C)Oc1[n-]c(=O)nc2ccc(C#N)cc21	ZINC001234531306	778246098	/nfs/dbraw/zinc/24/60/98/778246098.db2.gz	XTKHTWQECABSAV-SECBINFHSA-N	-1	0	257.293	2.774	20	30		CFEDRM
CCC1=C(Oc2nc3ccsc3[n-]2)C(=O)[C@H](C)O1	ZINC001234847865	778307804	/nfs/dbraw/zinc/30/78/04/778307804.db2.gz	MJNMPWOZXYXOMZ-LURJTMIESA-N	-1	0	264.306	2.613	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1ccc(CCCC)cc1)C(=O)[O-]	ZINC000159743879	778580216	/nfs/dbraw/zinc/58/02/16/778580216.db2.gz	KKSVPASNDNYJJM-CQSZACIVSA-N	-1	0	288.347	2.627	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])cc3)ccc12	ZINC001236056052	778671002	/nfs/dbraw/zinc/67/10/02/778671002.db2.gz	XPTWTGJJJLDPDK-UHFFFAOYSA-N	-1	0	263.256	2.800	20	30		CFEDRM
Cc1c(Cl)c(-c2cnc(C#N)cn2)ccc1C(=O)[O-]	ZINC001236108595	778697652	/nfs/dbraw/zinc/69/76/52/778697652.db2.gz	PJOJXYYOUGNPQB-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1cnnc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1	ZINC001236151228	778718734	/nfs/dbraw/zinc/71/87/34/778718734.db2.gz	PIFVHKIQBBNEMI-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
C[C@@H]1CC[C@H](CCC(=O)Nc2cc(C#N)ccc2[O-])O1	ZINC000176410102	779129237	/nfs/dbraw/zinc/12/92/37/779129237.db2.gz	BMLTUJLBBGWVDK-ZYHUDNBSSA-N	-1	0	274.320	2.550	20	30		CFEDRM
N#CCC1CN(Cc2cc(F)c([O-])c(Cl)c2)C1	ZINC001237988710	779222917	/nfs/dbraw/zinc/22/29/17/779222917.db2.gz	FQCZSKHJWYJYAW-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
N#CCCN(CCC#N)Cc1cc(Cl)c([O-])cc1F	ZINC001238149672	779263658	/nfs/dbraw/zinc/26/36/58/779263658.db2.gz	LXYQZZPFNJPKHR-UHFFFAOYSA-N	-1	0	281.718	2.814	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(C(=O)[O-])cc1F)CCC2	ZINC001239254871	779486278	/nfs/dbraw/zinc/48/62/78/779486278.db2.gz	SBUPIZGJJLFZHY-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1ccnc(-c2cc(F)c(C(=O)[O-])c(F)c2)c1F	ZINC001239333460	779522836	/nfs/dbraw/zinc/52/28/36/779522836.db2.gz	QBSOZMMPJBLROW-UHFFFAOYSA-N	-1	0	278.189	2.736	20	30		CFEDRM
Cc1c(C#N)ccnc1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239333075	779523049	/nfs/dbraw/zinc/52/30/49/779523049.db2.gz	BOOFAVRQCXWTGG-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
N#Cc1ccc(-c2cc(F)c(C(=O)[O-])c(F)c2)cn1	ZINC001239345908	779530513	/nfs/dbraw/zinc/53/05/13/779530513.db2.gz	JSQNRJHNUKMKQP-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
CSc1ccc(C)c(C([O-])=C(C#N)C(=O)NC(C)C)c1	ZINC000130785813	779558067	/nfs/dbraw/zinc/55/80/67/779558067.db2.gz	NESHCOPXZAUVFY-CYBMUJFWSA-N	-1	0	290.388	2.564	20	30		CFEDRM
Cn1cc(-c2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1	ZINC001240296572	780053226	/nfs/dbraw/zinc/05/32/26/780053226.db2.gz	MWAZCYBPJKHMLO-YAXRCOADSA-N	-1	0	269.226	2.914	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNCc1ccc(F)cc1	ZINC001116290205	780103468	/nfs/dbraw/zinc/10/34/68/780103468.db2.gz	CNGSITCSRXNNPI-UHFFFAOYSA-N	-1	0	289.266	2.563	20	30		CFEDRM
C=CCCO[N-]C(=O)c1cc(=O)c2ccc(Cl)cc2o1	ZINC001168626476	780122179	/nfs/dbraw/zinc/12/21/79/780122179.db2.gz	BNEWMKWBHBGEFK-UHFFFAOYSA-N	-1	0	293.706	2.684	20	30		CFEDRM
N#CCc1cccc(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240545679	780240121	/nfs/dbraw/zinc/24/01/21/780240121.db2.gz	AUYZXBDPNRODFF-BQYQJAHWSA-N	-1	0	264.284	2.912	20	30		CFEDRM
COc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1CC#N	ZINC001240548853	780242392	/nfs/dbraw/zinc/24/23/92/780242392.db2.gz	NIHPUWJTXISUQA-VMPITWQZSA-N	-1	0	294.310	2.921	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccc(C)nc1C#N	ZINC001240735165	780402304	/nfs/dbraw/zinc/40/23/04/780402304.db2.gz	RBRWETPDUYCSEX-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240974083	780562740	/nfs/dbraw/zinc/56/27/40/780562740.db2.gz	WVCRDXMDYRDXTC-UHFFFAOYSA-N	-1	0	295.294	2.639	20	30		CFEDRM
O=C([O-])Cc1ccc(-c2cccc(/C=N/O)c2)cc1	ZINC001240975566	780564718	/nfs/dbraw/zinc/56/47/18/780564718.db2.gz	RZXSCEKRSHATJW-MHWRWJLKSA-N	-1	0	255.273	2.789	20	30		CFEDRM
Cc1cnc(-c2cc(C(=O)[O-])ccc2C)c(C#N)c1	ZINC001240999756	780583482	/nfs/dbraw/zinc/58/34/82/780583482.db2.gz	UYFNMGAPAMTJNQ-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(-c2cc(C(=O)[O-])ccc2C)c(C#N)n1	ZINC001241001160	780584603	/nfs/dbraw/zinc/58/46/03/780584603.db2.gz	SMAKXASMUVQKRW-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nc2c(cc1C#N)COCC2	ZINC001241000496	780584746	/nfs/dbraw/zinc/58/47/46/780584746.db2.gz	FTRPZYBADQXOTB-UHFFFAOYSA-N	-1	0	294.310	2.700	20	30		CFEDRM
CCc1nnc(-c2ccccc2[O-])c(C#N)c1CC	ZINC001241008621	780589235	/nfs/dbraw/zinc/58/92/35/780589235.db2.gz	MMKKCXRNGJFDTG-UHFFFAOYSA-N	-1	0	253.305	2.846	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(C)cc2[O-])n1	ZINC001241031114	780604283	/nfs/dbraw/zinc/60/42/83/780604283.db2.gz	YWJMWWUUIGTCGT-UHFFFAOYSA-N	-1	0	257.318	2.751	20	30		CFEDRM
COC(=O)c1ccc(-c2c(F)cc([O-])cc2F)c(C#N)c1	ZINC001241122677	780652462	/nfs/dbraw/zinc/65/24/62/780652462.db2.gz	UUUMKXIRMVRZAO-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
C#CCO[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000700567961	780701696	/nfs/dbraw/zinc/70/16/96/780701696.db2.gz	WWRPRJVVFKVEPK-SECBINFHSA-N	-1	0	269.753	2.502	20	30		CFEDRM
N#CCc1cccnc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241241179	780724785	/nfs/dbraw/zinc/72/47/85/780724785.db2.gz	CZYXPCPNFRGJAQ-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
Cc1nc(-c2ccc(F)c(C(=O)[O-])c2)ccc1CC#N	ZINC001241243139	780725973	/nfs/dbraw/zinc/72/59/73/780725973.db2.gz	VLZZMEXUEMEQJI-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1cnc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)c1	ZINC001241241826	780726146	/nfs/dbraw/zinc/72/61/46/780726146.db2.gz	PSISQULYVOIMCA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(C#N)nc1-c1ccc(F)c(C(=O)[O-])c1	ZINC001241244094	780729001	/nfs/dbraw/zinc/72/90/01/780729001.db2.gz	XPANFBAJIMUINP-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1cnc(-c2ccc(F)c(C(=O)[O-])c2)cc1C#N	ZINC001241245548	780729697	/nfs/dbraw/zinc/72/96/97/780729697.db2.gz	UZWXFBHBMHNHGV-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)n1	ZINC001241245206	780730158	/nfs/dbraw/zinc/73/01/58/780730158.db2.gz	INLGYFNKFJYXEU-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cc(-c2c(F)ccc([O-])c2F)cnc1F	ZINC001241294179	780764064	/nfs/dbraw/zinc/76/40/64/780764064.db2.gz	WXZDIABGFGDPER-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
C=CCn1ccc2c1ncnc2-c1cccc(C(=O)[O-])c1	ZINC001241357324	780806217	/nfs/dbraw/zinc/80/62/17/780806217.db2.gz	OFAAQQHRKKCFRG-UHFFFAOYSA-N	-1	0	279.299	2.983	20	30		CFEDRM
N#Cc1cc(Nc2cccc(O)c2F)c([O-])cc1F	ZINC001212552565	781049388	/nfs/dbraw/zinc/04/93/88/781049388.db2.gz	YFVJTUNXXWPORV-UHFFFAOYSA-N	-1	0	262.215	2.991	20	30		CFEDRM
CCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000703727909	781052856	/nfs/dbraw/zinc/05/28/56/781052856.db2.gz	OCRAHMYEQJUWIP-CHWSQXEVSA-N	-1	0	284.400	2.709	20	30		CFEDRM
CCCCCCCNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000703732586	781053611	/nfs/dbraw/zinc/05/36/11/781053611.db2.gz	COZSFPSAWFEKJJ-STQMWFEESA-N	-1	0	269.385	2.964	20	30		CFEDRM
COc1cc(-c2cc(/C=N/[O-])ccc2F)c(F)cn1	ZINC001241663316	781056194	/nfs/dbraw/zinc/05/61/94/781056194.db2.gz	FHRQSPDGOQPOGS-UBKPWBPPSA-N	-1	0	264.231	2.844	20	30		CFEDRM
N#Cc1cc(-c2cncc(C(=O)[O-])c2)nc2ccccc12	ZINC001241800361	781131411	/nfs/dbraw/zinc/13/14/11/781131411.db2.gz	RJBBHXHPQMSMOK-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1ccc(OC(F)F)cc1-c1cncc(C(=O)[O-])c1	ZINC001241804488	781136275	/nfs/dbraw/zinc/13/62/75/781136275.db2.gz	WYGUNAQHUAJDQI-UHFFFAOYSA-N	-1	0	290.225	2.920	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cc(F)cc(C(=O)[O-])c2)n1	ZINC001241816978	781141666	/nfs/dbraw/zinc/14/16/66/781141666.db2.gz	ORIRLHGRNJOHSN-UHFFFAOYSA-N	-1	0	289.291	2.574	20	30		CFEDRM
Cc1cnc(-c2cc(F)cc(C(=O)[O-])c2)c(/C=N/O)c1	ZINC001241823376	781144900	/nfs/dbraw/zinc/14/49/00/781144900.db2.gz	HQGGVKLZLZSFHO-REZTVBANSA-N	-1	0	274.251	2.702	20	30		CFEDRM
COc1ccc(-c2ncccc2CC#N)cc1C(=O)[O-]	ZINC001241855039	781154931	/nfs/dbraw/zinc/15/49/31/781154931.db2.gz	AWTUXDGRUOEEHX-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(-c2cc(C)c(C#N)c(C)n2)cc1C(=O)[O-]	ZINC001241865328	781158082	/nfs/dbraw/zinc/15/80/82/781158082.db2.gz	NGRZDNCBFVZRNN-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1ccc(-c2ccc(C#N)c(CC#N)c2)cc1C(=O)[O-]	ZINC001241869024	781159941	/nfs/dbraw/zinc/15/99/41/781159941.db2.gz	YETJHVPWNNUSLL-UHFFFAOYSA-N	-1	0	292.294	2.998	20	30		CFEDRM
COc1ccc(-c2ccc(C#N)cc2C#N)cc1C(=O)[O-]	ZINC001241875388	781161838	/nfs/dbraw/zinc/16/18/38/781161838.db2.gz	WIVJOBMMPUQNPS-UHFFFAOYSA-N	-1	0	278.267	2.804	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(OC)c(C(=O)[O-])c2)c1	ZINC001241874957	781161931	/nfs/dbraw/zinc/16/19/31/781161931.db2.gz	OVXRDXMYMJDMNZ-UHFFFAOYSA-N	-1	0	267.284	2.827	20	30		CFEDRM
[O-]/N=C/c1cc(-c2ccnnc2)cc(C(F)(F)F)c1	ZINC001242061877	781255207	/nfs/dbraw/zinc/25/52/07/781255207.db2.gz	WXFLJOIIFBANRZ-NGYBGAFCSA-N	-1	0	267.210	2.971	20	30		CFEDRM
COc1cc(C#N)cnc1-c1cc(C(=O)[O-])cc(F)c1C	ZINC001242205914	781326189	/nfs/dbraw/zinc/32/61/89/781326189.db2.gz	XGCCZLVWASDIHQ-UHFFFAOYSA-N	-1	0	286.262	2.775	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cc(C(=O)[O-])cc(F)c2C)n1	ZINC001242209640	781327260	/nfs/dbraw/zinc/32/72/60/781327260.db2.gz	KLAUBZUKXPTBAM-UHFFFAOYSA-N	-1	0	285.278	2.723	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ncc2c(C#N)c[nH]c2n1	ZINC001242208883	781327461	/nfs/dbraw/zinc/32/74/61/781327461.db2.gz	WUDRANZLFDIWFZ-UHFFFAOYSA-N	-1	0	296.261	2.642	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cccnc1CC#N	ZINC001242211744	781328949	/nfs/dbraw/zinc/32/89/49/781328949.db2.gz	RLXHTUKYAWFVKI-UHFFFAOYSA-N	-1	0	270.263	2.960	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1cccc(CC(=O)[O-])c1	ZINC001242266165	781351092	/nfs/dbraw/zinc/35/10/92/781351092.db2.gz	YFPXZYQQHCJOCF-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#CCc1cc(-c2ccc(C(=O)[O-])nc2)ccc1F	ZINC001242336220	781407725	/nfs/dbraw/zinc/40/77/25/781407725.db2.gz	FBPMFQDYTQAPGI-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cnc2cc(-c3ccc(C(=O)[O-])nc3)ccc2c1	ZINC001242337756	781409470	/nfs/dbraw/zinc/40/94/70/781409470.db2.gz	HTJJTEZOHKMBBT-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(F)c2[O-])c(C#N)c1	ZINC001242350583	781422842	/nfs/dbraw/zinc/42/28/42/781422842.db2.gz	HCZYHXLBTQIBKJ-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
COc1ccnc(-c2cccc(Cl)c2[O-])c1C#N	ZINC001242362554	781435966	/nfs/dbraw/zinc/43/59/66/781435966.db2.gz	JHALUSOVWIKUPR-UHFFFAOYSA-N	-1	0	260.680	2.988	20	30		CFEDRM
Cc1nc(-c2cccc(C(=O)[O-])c2F)ccc1C#N	ZINC001242376401	781445276	/nfs/dbraw/zinc/44/52/76/781445276.db2.gz	KCRPENWXFOSWIA-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1c2c(cnc1-c1cccc(C(=O)[O-])c1F)CCC2	ZINC001242379204	781448551	/nfs/dbraw/zinc/44/85/51/781448551.db2.gz	ZDYKAOUUAPPPNA-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C)nc1C#N	ZINC001242390690	781459152	/nfs/dbraw/zinc/45/91/52/781459152.db2.gz	BJSZOGFAKUVQRK-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1cccnc1CC#N	ZINC001242392425	781461431	/nfs/dbraw/zinc/46/14/31/781461431.db2.gz	VBJYGVIUURPAJE-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
N#Cc1cc(-c2ncnc(-c3cccc(F)c3)n2)ccc1[O-]	ZINC001242562788	781601813	/nfs/dbraw/zinc/60/18/13/781601813.db2.gz	IBTYKOTWSWCHEL-UHFFFAOYSA-N	-1	0	292.273	2.922	20	30		CFEDRM
N#Cc1cc(F)ccc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC001242584911	781617866	/nfs/dbraw/zinc/61/78/66/781617866.db2.gz	XHZRHCLEYJNXOI-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
CCC(CC)(CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000165056158	282122980	/nfs/dbraw/zinc/12/29/80/282122980.db2.gz	XAWLLNUVEMLCJA-UHFFFAOYSA-N	-1	0	291.307	2.769	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1cc(C)c([N+](=O)[O-])c(C#N)c1)C(=O)[O-]	ZINC000595967159	349772970	/nfs/dbraw/zinc/77/29/70/349772970.db2.gz	YPQUWAGNJQEWOS-UFBFGSQYSA-N	-1	0	291.307	2.686	20	30		CFEDRM
N#Cc1nc(N2CCC[C@@H](CCC(=O)[O-])C2)ccc1Cl	ZINC000595972933	349773946	/nfs/dbraw/zinc/77/39/46/349773946.db2.gz	BWNFKLYZPVBQOD-JTQLQIEISA-N	-1	0	293.754	2.688	20	30		CFEDRM
CC(C)(CCC(=O)[O-])NC(=O)CC1(C#N)CCCCC1	ZINC000595987090	349774892	/nfs/dbraw/zinc/77/48/92/349774892.db2.gz	UGUYEOUCTACWQY-UHFFFAOYSA-N	-1	0	280.368	2.610	20	30		CFEDRM
CCC(CC)(CN=c1[n-]c(C#N)c(Cl)s1)OC	ZINC000596241473	349837300	/nfs/dbraw/zinc/83/73/00/349837300.db2.gz	FWTIHVOLXZQDTF-UHFFFAOYSA-N	-1	0	273.789	2.707	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccn(C(C)C)n2)n1	ZINC000073087259	346960568	/nfs/dbraw/zinc/96/05/68/346960568.db2.gz	JJGIANSCPWJOPA-JTQLQIEISA-N	-1	0	274.349	2.719	20	30		CFEDRM
N#Cc1[n-]c(=NC[C@H]2CCC3(CCCC3)O2)sc1Cl	ZINC000596296065	349855638	/nfs/dbraw/zinc/85/56/38/349855638.db2.gz	FWTMCSORRDPWMU-SECBINFHSA-N	-1	0	297.811	2.994	20	30		CFEDRM
C=CCCSCCN=c1nc(C2CC2)[n-]s1	ZINC000596413052	349894417	/nfs/dbraw/zinc/89/44/17/349894417.db2.gz	BWRCVCWYJAGTMJ-UHFFFAOYSA-N	-1	0	255.412	2.559	20	30		CFEDRM
CCc1noc(C)c1C([O-])=C(C#N)c1nc(C)cs1	ZINC000048787310	346477298	/nfs/dbraw/zinc/47/72/98/346477298.db2.gz	BUSMYENTDBNSIQ-SECBINFHSA-N	-1	0	275.333	2.800	20	30		CFEDRM
CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)n[nH]1	ZINC000066516898	346766002	/nfs/dbraw/zinc/76/60/02/346766002.db2.gz	HNAFFPSRSBGKRT-LLVKDONJSA-N	-1	0	294.314	2.993	20	30		CFEDRM
CCS(=O)(=O)[N-]C(=O)C=Cc1ccnc2ccccc12	ZINC000077956616	347220554	/nfs/dbraw/zinc/22/05/54/347220554.db2.gz	IAQSHIRXJFKAPB-BQYQJAHWSA-N	-1	0	290.344	2.554	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000089285142	347515385	/nfs/dbraw/zinc/51/53/85/347515385.db2.gz	LCTQBVWDAHNWKF-BDAKNGLRSA-N	-1	0	299.314	2.827	20	30		CFEDRM
CC(C)C[C@H](CNc1ccnc(C#N)c1)CC(=O)[O-]	ZINC000088274104	347500439	/nfs/dbraw/zinc/50/04/39/347500439.db2.gz	VXSMAVIYTDCGEN-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000094334702	347695608	/nfs/dbraw/zinc/69/56/08/347695608.db2.gz	GIVAAYLKRPHYOH-APPZFPTMSA-N	-1	0	299.252	2.637	20	30		CFEDRM
N#Cc1cnc2ccccc2c1N[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097066700	347706075	/nfs/dbraw/zinc/70/60/75/347706075.db2.gz	IGXFHPGIDVHUQF-PWSUYJOCSA-N	-1	0	281.315	2.772	20	30		CFEDRM
C=CCCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000135979883	347908777	/nfs/dbraw/zinc/90/87/77/347908777.db2.gz	MUKURLBPWUUULC-UHFFFAOYSA-N	-1	0	264.281	2.695	20	30		CFEDRM
N#CC[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000397873304	348566007	/nfs/dbraw/zinc/56/60/07/348566007.db2.gz	XYUYAFDEYIOSFI-SNVBAGLBSA-N	-1	0	278.739	2.811	20	30		CFEDRM
CCN(CCC#N)C(=O)c1cccc(Br)c1[O-]	ZINC000530753268	348648709	/nfs/dbraw/zinc/64/87/09/348648709.db2.gz	DVKQDMLVDPPPPM-UHFFFAOYSA-N	-1	0	297.152	2.530	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(NCCCCC(=O)[O-])n1	ZINC000591326672	349010445	/nfs/dbraw/zinc/01/04/45/349010445.db2.gz	AADAHLJDENICSC-UHFFFAOYSA-N	-1	0	275.352	2.918	20	30		CFEDRM
Cc1c(C#N)c(N[C@@H]2CC[C@H](C(=O)[O-])C2)nc2ccccc12	ZINC000592420888	349118359	/nfs/dbraw/zinc/11/83/59/349118359.db2.gz	MASUYLAQLPUAGM-NWDGAFQWSA-N	-1	0	295.342	2.502	20	30		CFEDRM
Cc1c(C#N)c(=NC(=O)C(CC(C)C)CC(C)C)[n-]n1C	ZINC000592649142	349145737	/nfs/dbraw/zinc/14/57/37/349145737.db2.gz	JGGIXSOROWMCBT-UHFFFAOYSA-N	-1	0	290.411	2.669	20	30		CFEDRM
CC[C@@H](CC1CCCC1)C(=O)N=c1[n-]n(C)c(C)c1C#N	ZINC000592648047	349145778	/nfs/dbraw/zinc/14/57/78/349145778.db2.gz	YOKPUJIZKCWLPJ-ZDUSSCGKSA-N	-1	0	288.395	2.567	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)F)ccc1F	ZINC000593216699	349229392	/nfs/dbraw/zinc/22/93/92/349229392.db2.gz	BWFRXLPZWFPQOS-MRVPVSSYSA-N	-1	0	292.282	2.807	20	30		CFEDRM
Cc1c(Cl)cnc(NC2(CC(=O)[O-])CCC2)c1C#N	ZINC000593325526	349247261	/nfs/dbraw/zinc/24/72/61/349247261.db2.gz	DQWGISLZYFEVIG-UHFFFAOYSA-N	-1	0	279.727	2.724	20	30		CFEDRM
C=CCCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000594403195	349414229	/nfs/dbraw/zinc/41/42/29/349414229.db2.gz	NCMPIXJPNBVOEW-UHFFFAOYSA-N	-1	0	278.308	2.777	20	30		CFEDRM
C[C@@H](C#N)N(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1	ZINC000598138194	350209047	/nfs/dbraw/zinc/20/90/47/350209047.db2.gz	WRPVMHPVCPSRBM-QMMMGPOBSA-N	-1	0	298.264	2.928	20	30		CFEDRM
CC1=CC[C@](C)(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CC1	ZINC000598735159	350323311	/nfs/dbraw/zinc/32/33/11/350323311.db2.gz	QJTUCCSQISUTJU-INIZCTEOSA-N	-1	0	284.363	2.656	20	30		CFEDRM
C=C(C)C[C@@H](N=c1[n-]c(C2CCCC2)ns1)C(=O)OC	ZINC000601226276	350702605	/nfs/dbraw/zinc/70/26/05/350702605.db2.gz	DRNVXVNQJXOQMT-LLVKDONJSA-N	-1	0	295.408	2.537	20	30		CFEDRM
Cc1[n-]n(CCc2ccccc2F)c(=O)c1CCC#N	ZINC000601947352	350814229	/nfs/dbraw/zinc/81/42/29/350814229.db2.gz	RICNTQDKOIFOQW-CYBMUJFWSA-N	-1	0	273.311	2.506	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])CCCC1	ZINC000601990764	350824720	/nfs/dbraw/zinc/82/47/20/350824720.db2.gz	FYSBIPKQUMCRFZ-VXGBXAGGSA-N	-1	0	299.436	2.834	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CCCC1	ZINC000601990763	350824764	/nfs/dbraw/zinc/82/47/64/350824764.db2.gz	FYSBIPKQUMCRFZ-RYUDHWBXSA-N	-1	0	299.436	2.834	20	30		CFEDRM
CCCC[C@@H](CC)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000601738219	350769783	/nfs/dbraw/zinc/76/97/83/350769783.db2.gz	PIRAYCQGEKILGZ-SNVBAGLBSA-N	-1	0	274.368	2.736	20	30		CFEDRM
CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1	ZINC000601987448	350823816	/nfs/dbraw/zinc/82/38/16/350823816.db2.gz	XUXBWDSSUYFYCI-CQSZACIVSA-N	-1	0	278.283	2.527	20	30		CFEDRM
C[C@H]1CCc2[n-]n(-c3cccc(C#N)c3)c(=O)c2C1	ZINC000601933343	350807180	/nfs/dbraw/zinc/80/71/80/350807180.db2.gz	XIWGEWZYBJQNFJ-GWCFXTLKSA-N	-1	0	253.305	2.697	20	30		CFEDRM
Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1CCC#N	ZINC000601937143	350809204	/nfs/dbraw/zinc/80/92/04/350809204.db2.gz	ZOABRBVQVUZHMJ-GFCCVEGCSA-N	-1	0	286.291	2.546	20	30		CFEDRM
CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(F)c(C#N)c1	ZINC000601988172	350824109	/nfs/dbraw/zinc/82/41/09/350824109.db2.gz	ZDPUQSINMPQCQV-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCC[C@@H]1C#N	ZINC000602979001	351080040	/nfs/dbraw/zinc/08/00/40/351080040.db2.gz	ZTSZYSUFWYDICH-MWLCHTKSSA-N	-1	0	288.376	2.521	20	30		CFEDRM
CCC(C)(C)c1n[n-]c(=NCCc2ccc(C#N)cc2)o1	ZINC000603405239	351157644	/nfs/dbraw/zinc/15/76/44/351157644.db2.gz	OFRLQXDUGKJUDC-UHFFFAOYSA-N	-1	0	284.363	2.705	20	30		CFEDRM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1CCC#N	ZINC000603923717	351191822	/nfs/dbraw/zinc/19/18/22/351191822.db2.gz	MNSWVUBYDADADC-GFCCVEGCSA-N	-1	0	261.712	2.982	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c(F)c1	ZINC000610056247	351532857	/nfs/dbraw/zinc/53/28/57/351532857.db2.gz	KZNBANJKVFPZSS-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2c([O-])cc(F)cc2F)[C@H]1C#N	ZINC000618038000	352703118	/nfs/dbraw/zinc/70/31/18/352703118.db2.gz	VNKDBYYUIVGECD-LBPRGKRZSA-N	-1	0	294.301	2.825	20	30		CFEDRM
Cc1cscc1[N-]S(=O)(=O)c1cccc(CC#N)c1	ZINC000619463471	353026963	/nfs/dbraw/zinc/02/69/63/353026963.db2.gz	FIUIJWLYRMPOBV-UHFFFAOYSA-N	-1	0	292.385	2.923	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C(=O)[O-]	ZINC000621538071	353375997	/nfs/dbraw/zinc/37/59/97/353375997.db2.gz	FIKHNDOIMBIRCA-OLZOCXBDSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=CCC1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCC1	ZINC000621558725	353378808	/nfs/dbraw/zinc/37/88/08/353378808.db2.gz	PKVHNOOASGNVSS-UHFFFAOYSA-N	-1	0	285.343	2.973	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611355	353384097	/nfs/dbraw/zinc/38/40/97/353384097.db2.gz	AWGQQMYZRROGON-BDAKNGLRSA-N	-1	0	282.365	2.621	20	30		CFEDRM
Cc1nocc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000626467599	354272512	/nfs/dbraw/zinc/27/25/12/354272512.db2.gz	ZIXBUXQWKVCFBZ-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CC[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000628492476	354607926	/nfs/dbraw/zinc/60/79/26/354607926.db2.gz	VSWXRQTYGWHYSM-SSDOTTSWSA-N	-1	0	272.757	2.540	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)c1ccc(C(=O)[O-])cc1F	ZINC000630228761	355030309	/nfs/dbraw/zinc/03/03/09/355030309.db2.gz	DXUYCNZWFMAGLO-UHFFFAOYSA-N	-1	0	279.311	2.856	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000630232315	355030870	/nfs/dbraw/zinc/03/08/70/355030870.db2.gz	JMXOABSGFYHPMT-LBPRGKRZSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1	ZINC000630258142	355033904	/nfs/dbraw/zinc/03/39/04/355033904.db2.gz	KGBVXUZGQVIEEY-SECBINFHSA-N	-1	0	281.283	2.582	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1	ZINC000630301469	355045774	/nfs/dbraw/zinc/04/57/74/355045774.db2.gz	MMLKCFCAHTXPSA-CYBMUJFWSA-N	-1	0	259.305	2.566	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630182276	355024487	/nfs/dbraw/zinc/02/44/87/355024487.db2.gz	NDZFPISHKYMJKO-JSGCOSHPSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cnc2C)C1	ZINC000630205374	355027749	/nfs/dbraw/zinc/02/77/49/355027749.db2.gz	CZBVWWQKPYTCQT-GFCCVEGCSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=CCCCCCNC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000630202426	355027876	/nfs/dbraw/zinc/02/78/76/355027876.db2.gz	GECVXMIUFAGXAS-UHFFFAOYSA-N	-1	0	276.336	2.564	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000630301815	355046510	/nfs/dbraw/zinc/04/65/10/355046510.db2.gz	PQWAGUBDYNCLND-AWEZNQCLSA-N	-1	0	273.332	2.874	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1ccnc(C(=O)[O-])c1	ZINC000630313162	355048660	/nfs/dbraw/zinc/04/86/60/355048660.db2.gz	FACKQCVTVLNGLK-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CC)CCCC)C(=O)[O-]	ZINC000630318662	355049725	/nfs/dbraw/zinc/04/97/25/355049725.db2.gz	LJLCYBFWRFUGER-NWDGAFQWSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccc(C)cc1C)C(=O)[O-]	ZINC000630319115	355049962	/nfs/dbraw/zinc/04/99/62/355049962.db2.gz	SGBVTQPETWZLGJ-OAHLLOKOSA-N	-1	0	289.375	2.772	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-]	ZINC000630319329	355050044	/nfs/dbraw/zinc/05/00/44/355050044.db2.gz	YIILGFAQAAFVRF-ZDUSSCGKSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000630320190	355050146	/nfs/dbraw/zinc/05/01/46/355050146.db2.gz	QLRNLWAOYVIFGE-HNNXBMFYSA-N	-1	0	289.375	2.690	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(F)ccc1CC)C(=O)[O-]	ZINC000630321751	355050731	/nfs/dbraw/zinc/05/07/31/355050731.db2.gz	MOZJRDCLCSQOTA-ZDUSSCGKSA-N	-1	0	279.311	2.537	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000630325043	355052459	/nfs/dbraw/zinc/05/24/59/355052459.db2.gz	GPNTZDIDQVRROO-UPJWGTAASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1ccc(C)c(OCC)c1)C(=O)[O-]	ZINC000630327331	355052988	/nfs/dbraw/zinc/05/29/88/355052988.db2.gz	ZFWCWZQUBXRZOJ-ZDUSSCGKSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000630327871	355053026	/nfs/dbraw/zinc/05/30/26/355053026.db2.gz	YSEYJERWLYSZNY-QWHCGFSZSA-N	-1	0	259.305	2.779	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000630327127	355053110	/nfs/dbraw/zinc/05/31/10/355053110.db2.gz	XGBALNWZMQYCSY-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Nc1cccc(OCC)c1)C(=O)[O-]	ZINC000630544592	355107561	/nfs/dbraw/zinc/10/75/61/355107561.db2.gz	HBDBGPBKQLZUGT-CYBMUJFWSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N(CC(=O)[O-])C1CCC1	ZINC000630494220	355095171	/nfs/dbraw/zinc/09/51/71/355095171.db2.gz	GIYVCPIQRXWDBP-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc([C@@H]2C[C@@H]2C)o1	ZINC000630960383	355231291	/nfs/dbraw/zinc/23/12/91/355231291.db2.gz	OUNMIIQZBGJXHS-WCQYABFASA-N	-1	0	285.347	2.792	20	30		CFEDRM
CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000633899149	356029011	/nfs/dbraw/zinc/02/90/11/356029011.db2.gz	DLGZTNBKYSTGRX-NSHDSACASA-N	-1	0	294.314	2.843	20	30		CFEDRM
C=CC(C)(C)CNC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000666108177	540992099	/nfs/dbraw/zinc/99/20/99/540992099.db2.gz	UCAFSEYWWIFBDC-ZDUSSCGKSA-N	-1	0	275.348	2.573	20	30		CFEDRM
CCOc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435338628	240303957	/nfs/dbraw/zinc/30/39/57/240303957.db2.gz	HKWBPLVTAJUNJE-FLIBITNWSA-N	-1	0	295.342	2.909	20	30		CFEDRM
C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)c1ccc(F)cc1	ZINC000442953129	241024046	/nfs/dbraw/zinc/02/40/46/241024046.db2.gz	WRLOOMUAOWLVPB-LLVKDONJSA-N	-1	0	298.317	2.936	20	30		CFEDRM
N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1	ZINC000013253214	372021067	/nfs/dbraw/zinc/02/10/67/372021067.db2.gz	TWDRRBVNKLQPNI-UHFFFAOYSA-N	-1	0	286.331	2.922	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C#N)c1	ZINC000016146774	372099681	/nfs/dbraw/zinc/09/96/81/372099681.db2.gz	RUZBWAQWJKTACC-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000016129682	372100086	/nfs/dbraw/zinc/10/00/86/372100086.db2.gz	QRGIAHGAPLHBRH-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cccnn2)n1	ZINC000528965685	383684115	/nfs/dbraw/zinc/68/41/15/383684115.db2.gz	FHPIEGJTMLJAQI-VIFPVBQESA-N	-1	0	272.333	2.547	20	30		CFEDRM
Cc1occc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000041496182	372844244	/nfs/dbraw/zinc/84/42/44/372844244.db2.gz	WGSYUNSEMQZPOV-LLVKDONJSA-N	-1	0	265.272	2.954	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)s1	ZINC000042317693	372906118	/nfs/dbraw/zinc/90/61/18/372906118.db2.gz	XKXGTIXWCIFLJM-UHFFFAOYSA-N	-1	0	273.379	2.892	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)c(F)c1	ZINC000043584842	372992808	/nfs/dbraw/zinc/99/28/08/372992808.db2.gz	NMDRQUNTGFHZEV-NSHDSACASA-N	-1	0	276.311	2.779	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)[C@H]1CC=CCC1	ZINC000049502265	373306022	/nfs/dbraw/zinc/30/60/22/373306022.db2.gz	WDMMAMZXCKKHRP-NSHDSACASA-N	-1	0	271.382	2.962	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1	ZINC000069538332	374072642	/nfs/dbraw/zinc/07/26/42/374072642.db2.gz	SQISSOIGEYQZLS-UHFFFAOYSA-N	-1	0	285.340	2.554	20	30		CFEDRM
C=CCN(CC=C)Cc1nc(=O)c2sccc2[n-]1	ZINC000072591970	374268972	/nfs/dbraw/zinc/26/89/72/374268972.db2.gz	MOIRLFAMLKRIKN-UHFFFAOYSA-N	-1	0	261.350	2.571	20	30		CFEDRM
Cc1cc(C)c(C#N)c(NC[C@@H](CC(C)C)C(=O)[O-])n1	ZINC000094703492	375374486	/nfs/dbraw/zinc/37/44/86/375374486.db2.gz	FRWXZTKVFHJBPI-GFCCVEGCSA-N	-1	0	275.352	2.729	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000094703381	375374641	/nfs/dbraw/zinc/37/46/41/375374641.db2.gz	GFDDIEYBKVDQNE-LLVKDONJSA-N	-1	0	291.307	2.625	20	30		CFEDRM
C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCCCC1	ZINC000101638795	375649792	/nfs/dbraw/zinc/64/97/92/375649792.db2.gz	XVOIHRWDWNWOTI-JTQLQIEISA-N	-1	0	285.351	2.698	20	30		CFEDRM
CC[C@H](CC1CCCCC1)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000508768331	247181890	/nfs/dbraw/zinc/18/18/90/247181890.db2.gz	DPJFZDSXQCTUIJ-CYBMUJFWSA-N	-1	0	288.395	2.947	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1nc(C)c(C(=O)[O-])s1	ZINC000679400064	542188489	/nfs/dbraw/zinc/18/84/89/542188489.db2.gz	DREWTECULMMYJN-UHFFFAOYSA-N	-1	0	294.376	2.534	20	30		CFEDRM
N#Cc1cc(F)c(NCCCCCC(=O)[O-])c(F)c1	ZINC000133547594	377940022	/nfs/dbraw/zinc/94/00/22/377940022.db2.gz	VDMZUKZJNANESI-UHFFFAOYSA-N	-1	0	268.263	2.893	20	30		CFEDRM
C[C@@H]1C[C@H](/C([O-])=N/Cc2cn3ccsc3n2)CCC1=O	ZINC000328947932	378442167	/nfs/dbraw/zinc/44/21/67/378442167.db2.gz	VXMDPNYXRXGRSU-NXEZZACHSA-N	-1	0	291.376	2.858	20	30		CFEDRM
CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(C)(C)C2)[n-]1	ZINC000334455831	379329637	/nfs/dbraw/zinc/32/96/37/379329637.db2.gz	GOOSWWUKHJOZQD-LLVKDONJSA-N	-1	0	288.395	2.696	20	30		CFEDRM
C=CCN(C)C(=O)c1cc(F)cc(Br)c1[O-]	ZINC000335778538	379873154	/nfs/dbraw/zinc/87/31/54/379873154.db2.gz	KMYNIJWYRBOUNM-UHFFFAOYSA-N	-1	0	288.116	2.552	20	30		CFEDRM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000335988731	380201793	/nfs/dbraw/zinc/20/17/93/380201793.db2.gz	DMURYYAZIOWFEH-UHFFFAOYSA-N	-1	0	276.317	2.514	20	30		CFEDRM
CCc1c(C([O-])=C(C#N)c2nc(C)cs2)ccn1C	ZINC000355113670	381621442	/nfs/dbraw/zinc/62/14/42/381621442.db2.gz	CEPAXUWMYSMLLI-NSHDSACASA-N	-1	0	273.361	2.843	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000349291400	381877218	/nfs/dbraw/zinc/87/72/18/381877218.db2.gz	ZGQQAXGASXOCQQ-JTQLQIEISA-N	-1	0	280.287	2.658	20	30		CFEDRM
C=CCC1(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)CCC1	ZINC000362003659	381878422	/nfs/dbraw/zinc/87/84/22/381878422.db2.gz	WCTAOBQVCRGLJI-UHFFFAOYSA-N	-1	0	273.258	2.535	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCC1	ZINC000361792483	381863299	/nfs/dbraw/zinc/86/32/99/381863299.db2.gz	NAAZFJWHFFKHHQ-UHFFFAOYSA-N	-1	0	279.409	2.942	20	30		CFEDRM
CC#CCCCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1	ZINC000186439759	381911455	/nfs/dbraw/zinc/91/14/55/381911455.db2.gz	MVMIIZUSSPUCKG-UHFFFAOYSA-N	-1	0	272.308	2.505	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000293030094	381956883	/nfs/dbraw/zinc/95/68/83/381956883.db2.gz	LFTFSVLIAJQFGT-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
N#Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1F	ZINC000186777425	382010980	/nfs/dbraw/zinc/01/09/80/382010980.db2.gz	XBFPHXNUQHQOEB-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000417790328	382069506	/nfs/dbraw/zinc/06/95/06/382069506.db2.gz	IJJURWARPIXCTH-ZDUSSCGKSA-N	-1	0	288.347	2.744	20	30		CFEDRM
CCc1ccc2occ(C(=O)N=c3[nH][n-]c(C)c3C#N)c2c1	ZINC000357234716	382070678	/nfs/dbraw/zinc/07/06/78/382070678.db2.gz	ASWYRFMOOWLZQK-UHFFFAOYSA-N	-1	0	294.314	2.573	20	30		CFEDRM
Cc1n[n-]c(=N[C@@H]2CCCc3cc(C#N)ccc32)s1	ZINC000419016339	382217443	/nfs/dbraw/zinc/21/74/43/382217443.db2.gz	OZUWJYAULGHPKL-CYBMUJFWSA-N	-1	0	270.361	2.630	20	30		CFEDRM
C[C@@H](C1CC1)n1cc(Nc2nccc(C#N)c2[N+](=O)[O-])cn1	ZINC000302394268	382245180	/nfs/dbraw/zinc/24/51/80/382245180.db2.gz	ISWDLFQDFIEISX-VIFPVBQESA-N	-1	0	298.306	2.773	20	30		CFEDRM
C[C@H](C1CC1)n1nccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188495346	382424424	/nfs/dbraw/zinc/42/44/24/382424424.db2.gz	LIKADSWWGWOMSI-SNVBAGLBSA-N	-1	0	296.330	2.684	20	30		CFEDRM
CC(C)(C)Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]1	ZINC000188542314	382432329	/nfs/dbraw/zinc/43/23/29/382432329.db2.gz	SLYAHRGRXPHOLV-UHFFFAOYSA-N	-1	0	298.346	2.828	20	30		CFEDRM
N#CC(=C([O-])c1ncoc1-c1ccccc1)c1ccncn1	ZINC000680617249	542342759	/nfs/dbraw/zinc/34/27/59/542342759.db2.gz	KRBZWOQQLTYADE-GFCCVEGCSA-N	-1	0	290.282	2.622	20	30		CFEDRM
Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1ccncn1	ZINC000680617030	542342840	/nfs/dbraw/zinc/34/28/40/542342840.db2.gz	BQMWQOVWRHLOKB-GFCCVEGCSA-N	-1	0	297.362	2.535	20	30		CFEDRM
Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1ccncn1	ZINC000680617031	542343170	/nfs/dbraw/zinc/34/31/70/542343170.db2.gz	BQMWQOVWRHLOKB-LBPRGKRZSA-N	-1	0	297.362	2.535	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@H]1CCC[C@H](C)C1)C(=O)[O-]	ZINC000316431669	382529619	/nfs/dbraw/zinc/52/96/19/382529619.db2.gz	JKGOAIKUNWIOJO-AVGNSLFASA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c1ccccc1	ZINC000190720680	382678884	/nfs/dbraw/zinc/67/88/84/382678884.db2.gz	ZZMHDLJQRLDHCM-XEZPLFJOSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@H](C)CCC(=O)[O-])c1ccccc1	ZINC000191148974	382693156	/nfs/dbraw/zinc/69/31/56/382693156.db2.gz	WPTOFHYARPQNBR-OLZOCXBDSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000191232225	382696568	/nfs/dbraw/zinc/69/65/68/382696568.db2.gz	SYVREWGMMCPMKL-ZDUSSCGKSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCOc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1	ZINC000194296467	382739502	/nfs/dbraw/zinc/73/95/02/382739502.db2.gz	WEMPEBRHFYNVOC-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C[C@@H](Oc1cccc(/C=C/c2ccc(C#N)cn2)c1)C(=O)[O-]	ZINC000194596266	382749466	/nfs/dbraw/zinc/74/94/66/382749466.db2.gz	UZMVGOUOOXYNEB-HOSRBBHYSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-]c1cc(C)on1	ZINC000194793735	382754580	/nfs/dbraw/zinc/75/45/80/382754580.db2.gz	GCNLKNVNSYNSSS-UHFFFAOYSA-N	-1	0	260.359	2.695	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC)c1	ZINC000442659857	382942234	/nfs/dbraw/zinc/94/22/34/382942234.db2.gz	RFPBOZDEBAVIHL-UHFFFAOYSA-N	-1	0	296.326	2.939	20	30		CFEDRM
Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1CC(C)C	ZINC000442680797	382944691	/nfs/dbraw/zinc/94/46/91/382944691.db2.gz	PXLNKBAGIGYICR-UHFFFAOYSA-N	-1	0	298.346	2.677	20	30		CFEDRM
C=CCCS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F	ZINC000541310125	382964450	/nfs/dbraw/zinc/96/44/50/382964450.db2.gz	WMQQFPADSZTWMB-LLVKDONJSA-N	-1	0	299.358	2.993	20	30		CFEDRM
COC(=O)N1CCC[C@H]([C@H](C)/N=C\c2ccccc2O)C1	ZINC000495471634	382989865	/nfs/dbraw/zinc/98/98/65/382989865.db2.gz	ALQYKMJJDAQXJZ-NCQPTCLOSA-N	-1	0	290.363	2.678	20	30		CFEDRM
N#CCC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1	ZINC000541951514	382968133	/nfs/dbraw/zinc/96/81/33/382968133.db2.gz	GNJQTQCIDYWGGK-UHFFFAOYSA-N	-1	0	288.376	2.523	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1ccc(CC)c(F)c1)C(=O)[O-]	ZINC000580758763	383080929	/nfs/dbraw/zinc/08/09/29/383080929.db2.gz	LQVJXPXPVMTECM-ZDUSSCGKSA-N	-1	0	294.326	2.929	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N(CC(=O)[O-])C(C)C)c1	ZINC000565577107	383180506	/nfs/dbraw/zinc/18/05/06/383180506.db2.gz	MMOKMIXJSKJPCH-UHFFFAOYSA-N	-1	0	292.335	2.578	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1	ZINC000556680235	383151519	/nfs/dbraw/zinc/15/15/19/383151519.db2.gz	UBQLPAYZMKYATO-NWDGAFQWSA-N	-1	0	282.384	2.768	20	30		CFEDRM
CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000515071152	383157704	/nfs/dbraw/zinc/15/77/04/383157704.db2.gz	QUGIEQPCMYXCRQ-ZDUSSCGKSA-N	-1	0	298.264	2.833	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)sn2)n1	ZINC000562496985	383158641	/nfs/dbraw/zinc/15/86/41/383158641.db2.gz	USYWTUWYFNFMRX-QMMMGPOBSA-N	-1	0	263.347	2.707	20	30		CFEDRM
C=CCCCCNC(=O)N(CCC)[C@@H](CC)C(=O)[O-]	ZINC000515133297	383158661	/nfs/dbraw/zinc/15/86/61/383158661.db2.gz	XEHVXDVJUGBIBV-LBPRGKRZSA-N	-1	0	270.373	2.628	20	30		CFEDRM
N#CCC1(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CC1	ZINC000516312550	383163976	/nfs/dbraw/zinc/16/39/76/383163976.db2.gz	GDAMAPOVNOTOGO-UHFFFAOYSA-N	-1	0	298.264	2.835	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Cl)c1[O-]	ZINC000520504551	383259974	/nfs/dbraw/zinc/25/99/74/383259974.db2.gz	XTSQTJFVJSRDEN-KCJUWKMLSA-N	-1	0	267.712	2.575	20	30		CFEDRM
C=C(CC)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000567978708	383338963	/nfs/dbraw/zinc/33/89/63/383338963.db2.gz	PJUKGFQWWNQXJY-UHFFFAOYSA-N	-1	0	264.281	2.600	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1coc2c1cccc2C)C(=O)[O-]	ZINC000425250405	383349876	/nfs/dbraw/zinc/34/98/76/383349876.db2.gz	FOUVCCFKCBWCOS-ZDUSSCGKSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634916046	383403028	/nfs/dbraw/zinc/40/30/28/383403028.db2.gz	NJUVDGNEMSBDMI-BXUZGUMPSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634944679	383416088	/nfs/dbraw/zinc/41/60/88/383416088.db2.gz	BZPBMSWTYVVCKF-HUUCEWRRSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)CC1(CC(=O)[O-])CCCC1	ZINC000634945816	383416459	/nfs/dbraw/zinc/41/64/59/383416459.db2.gz	ZVUZSCUSIXNBIZ-ZDUSSCGKSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)C[C@H](C(=O)[O-])c2ccccc2)C1	ZINC000634939029	383412890	/nfs/dbraw/zinc/41/28/90/383412890.db2.gz	YUHIXNHJKDDELG-ZFWWWQNUSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)C[C@H](C(=O)[O-])c1ccccc1	ZINC000634941396	383413542	/nfs/dbraw/zinc/41/35/42/383413542.db2.gz	BFUJJMFNGBIYAA-KGLIPLIRSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCCCNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634832778	383372641	/nfs/dbraw/zinc/37/26/41/383372641.db2.gz	MJLFMNUGEYLRKM-AWEZNQCLSA-N	-1	0	281.377	2.563	20	30		CFEDRM
C=C(C)CCNC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634839511	383375492	/nfs/dbraw/zinc/37/54/92/383375492.db2.gz	LWBIYMJDSDEBIW-INIZCTEOSA-N	-1	0	293.338	2.641	20	30		CFEDRM
COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)ccc1C#N	ZINC000340589511	383480799	/nfs/dbraw/zinc/48/07/99/383480799.db2.gz	QKRDGTCBHSUDCI-HYXAFXHYSA-N	-1	0	280.283	2.830	20	30		CFEDRM
N#Cc1csc(/C=C/c2cc(C(=O)[O-])ccn2)c1	ZINC000340594265	383481671	/nfs/dbraw/zinc/48/16/71/383481671.db2.gz	MEAFGZCEVHJSKJ-OWOJBTEDSA-N	-1	0	256.286	2.883	20	30		CFEDRM
N#Cc1cc(/C=C/c2cc(C(=O)[O-])ccn2)ccc1F	ZINC000340588691	383479795	/nfs/dbraw/zinc/47/97/95/383479795.db2.gz	KTVUARUUJHPVLF-HNQUOIGGSA-N	-1	0	268.247	2.961	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]c(C(F)(F)F)ns1	ZINC000340929945	383507513	/nfs/dbraw/zinc/50/75/13/383507513.db2.gz	BJPGKLUEYPDRHI-UHFFFAOYSA-N	-1	0	278.303	2.721	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000635518250	383576927	/nfs/dbraw/zinc/57/69/27/383576927.db2.gz	AVZWPZDQFDEEAO-UHFFFAOYSA-N	-1	0	284.400	2.779	20	30		CFEDRM
N#C[C@H](Sc1n[n-]c(=NC2CC2)s1)c1ccccc1	ZINC000570224968	383584326	/nfs/dbraw/zinc/58/43/26/383584326.db2.gz	AFFOJSHVCLQYKQ-NSHDSACASA-N	-1	0	288.401	2.891	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-]	ZINC000262953583	383646888	/nfs/dbraw/zinc/64/68/88/383646888.db2.gz	QWVCTZJGEZJTGM-CABCVRRESA-N	-1	0	287.359	2.642	20	30		CFEDRM
C[C@H]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000570964978	383651713	/nfs/dbraw/zinc/65/17/13/383651713.db2.gz	BXPJVZQXPHUXIR-CABZTGNLSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000272089442	385445088	/nfs/dbraw/zinc/44/50/88/385445088.db2.gz	KWKYYKQNQHYIGT-LLVKDONJSA-N	-1	0	277.320	2.515	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000272089443	385445486	/nfs/dbraw/zinc/44/54/86/385445486.db2.gz	KWKYYKQNQHYIGT-NSHDSACASA-N	-1	0	277.320	2.515	20	30		CFEDRM
CCOc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000681352697	542442479	/nfs/dbraw/zinc/44/24/79/542442479.db2.gz	CZZUWQGCZZVNCU-SECBINFHSA-N	-1	0	297.270	2.705	20	30		CFEDRM
C#CC[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1	ZINC000263330318	533212932	/nfs/dbraw/zinc/21/29/32/533212932.db2.gz	USAYEWUEZPEALT-AWEZNQCLSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000237412491	131028180	/nfs/dbraw/zinc/02/81/80/131028180.db2.gz	LGZRPRBEHMYRRL-SECBINFHSA-N	-1	0	297.738	2.958	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000263293300	131288993	/nfs/dbraw/zinc/28/89/93/131288993.db2.gz	RPGVTEBLVYPIQB-SLEUVZQESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@@H](Cc1ccccc1)N=c1nc(COC)[n-]s1	ZINC000413581659	393785341	/nfs/dbraw/zinc/78/53/41/393785341.db2.gz	QSGRKQLVSICWGN-ZDUSSCGKSA-N	-1	0	289.404	2.706	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)o1	ZINC000346237293	393924418	/nfs/dbraw/zinc/92/44/18/393924418.db2.gz	IEPWORDJAFRVJV-LLVKDONJSA-N	-1	0	292.298	2.725	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2sccc2C#N)c1	ZINC000436867771	394030963	/nfs/dbraw/zinc/03/09/63/394030963.db2.gz	FRQHTQSJQPERNA-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
C=CCCCS(=O)(=O)Nc1cc(C(F)(F)F)ccn1	ZINC000291844009	394268955	/nfs/dbraw/zinc/26/89/55/394268955.db2.gz	HWBQZRQSTJLNIV-UHFFFAOYSA-N	-1	0	294.298	2.808	20	30		CFEDRM
CCCCCCCCC(=O)N1CCC[C@H](c2nnn[n-]2)C1	ZINC000155462223	394316745	/nfs/dbraw/zinc/31/67/45/394316745.db2.gz	ASPMFLUCOJTSOQ-ZDUSSCGKSA-N	-1	0	293.415	2.656	20	30		CFEDRM
N#CCCCCNC(=O)c1cc(F)cc(Cl)c1[O-]	ZINC000178296754	394387229	/nfs/dbraw/zinc/38/72/29/394387229.db2.gz	DTCDDYNTEJCZIR-UHFFFAOYSA-N	-1	0	270.691	2.608	20	30		CFEDRM
CSc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)n1	ZINC000647185994	395209092	/nfs/dbraw/zinc/20/90/92/395209092.db2.gz	ZJRCLGUDJPRHTF-NSHDSACASA-N	-1	0	298.371	2.700	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nc(C2CC2)cs1	ZINC000647379723	395320681	/nfs/dbraw/zinc/32/06/81/395320681.db2.gz	ILXAEUGHPUDZTE-LLVKDONJSA-N	-1	0	294.339	2.777	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-]	ZINC000647597997	395395631	/nfs/dbraw/zinc/39/56/31/395395631.db2.gz	BEFTWUVUOHNNRJ-QJPTWQEYSA-N	-1	0	267.369	2.594	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CCC2)n1)c1ccccn1	ZINC000192505166	543083345	/nfs/dbraw/zinc/08/33/45/543083345.db2.gz	FHTAXHKRSHVTPK-LLVKDONJSA-N	-1	0	267.288	2.827	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1ncccc1SC	ZINC000650490882	397811728	/nfs/dbraw/zinc/81/17/28/397811728.db2.gz	LFGDOTBNXJBEOX-UHFFFAOYSA-N	-1	0	272.395	2.511	20	30		CFEDRM
COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000356219274	155186117	/nfs/dbraw/zinc/18/61/17/155186117.db2.gz	LTVFGINLDPULNP-YWEYNIOJSA-N	-1	0	280.283	2.830	20	30		CFEDRM
Cc1cc(NCCC(=O)[O-])n2c3ccccc3nc2c1C#N	ZINC000347231293	162632582	/nfs/dbraw/zinc/63/25/82/162632582.db2.gz	KBCFOQIPBXCWOF-UHFFFAOYSA-N	-1	0	294.314	2.554	20	30		CFEDRM
CCSc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000351694403	163177141	/nfs/dbraw/zinc/17/71/41/163177141.db2.gz	PDUQCKKTIAMJCS-UHFFFAOYSA-N	-1	0	297.343	2.517	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C	ZINC000007056909	170265156	/nfs/dbraw/zinc/26/51/56/170265156.db2.gz	LTMFHKSRHRREEZ-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
N#Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1	ZINC000022238710	171380940	/nfs/dbraw/zinc/38/09/40/171380940.db2.gz	LADGUTKWUKPDNO-HNNXBMFYSA-N	-1	0	294.310	2.504	20	30		CFEDRM
N#Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1	ZINC000022238709	171381025	/nfs/dbraw/zinc/38/10/25/171381025.db2.gz	LADGUTKWUKPDNO-OAHLLOKOSA-N	-1	0	294.310	2.504	20	30		CFEDRM
N#Cc1ccccc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000035347615	172140170	/nfs/dbraw/zinc/14/01/70/172140170.db2.gz	RFERTIRXRRACBM-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000654810367	414003261	/nfs/dbraw/zinc/00/32/61/414003261.db2.gz	CBUFXFOHIVJXBG-NSHDSACASA-N	-1	0	282.365	2.529	20	30		CFEDRM
C=CCCCCCNC(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000665315310	414279501	/nfs/dbraw/zinc/27/95/01/414279501.db2.gz	ZWTGARBTVIEHAN-CYBMUJFWSA-N	-1	0	282.384	2.533	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1ccc(C(=O)[O-])cc1F	ZINC000659223868	414472919	/nfs/dbraw/zinc/47/29/19/414472919.db2.gz	WMBORGDECMOSEZ-UHFFFAOYSA-N	-1	0	291.322	2.909	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-]	ZINC000659155140	414457582	/nfs/dbraw/zinc/45/75/82/414457582.db2.gz	YSLNXMZJNFLBDI-JXQTWKCFSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCCC(=O)[O-]	ZINC000659166739	414459939	/nfs/dbraw/zinc/45/99/39/414459939.db2.gz	RJBPAFPBXCPLPF-STQMWFEESA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659167920	414460578	/nfs/dbraw/zinc/46/05/78/414460578.db2.gz	RSHMNJOOVANLPB-FQUUOJAGSA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)Cc2cccc(C(=O)[O-])c2)C1	ZINC000659170569	414461727	/nfs/dbraw/zinc/46/17/27/414461727.db2.gz	ZHUAYGDAVZRRJL-CYBMUJFWSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1	ZINC000659170198	414462086	/nfs/dbraw/zinc/46/20/86/414462086.db2.gz	RLTWLZHFRLLHDZ-CQSZACIVSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1	ZINC000659181760	414463459	/nfs/dbraw/zinc/46/34/59/414463459.db2.gz	UDZXRYJUJSFUBM-LALPHHSUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655876773	414486795	/nfs/dbraw/zinc/48/67/95/414486795.db2.gz	SSDGGGUOIKQGFR-MROQNXINSA-N	-1	0	296.411	2.776	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000656490349	414592712	/nfs/dbraw/zinc/59/27/12/414592712.db2.gz	ALMAPFNWMUXZGE-AWEZNQCLSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=CCCNC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1	ZINC000656588487	414610674	/nfs/dbraw/zinc/61/06/74/414610674.db2.gz	LQTLPTLAAGHUJI-UHFFFAOYSA-N	-1	0	296.754	2.512	20	30		CFEDRM
C=CCOc1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1	ZINC000663032071	414646287	/nfs/dbraw/zinc/64/62/87/414646287.db2.gz	GUZDDSKYZUPPOM-ZDUSSCGKSA-N	-1	0	291.347	2.937	20	30		CFEDRM
O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1C[C@@H]1C1CC1	ZINC000329116011	227308190	/nfs/dbraw/zinc/30/81/90/227308190.db2.gz	TUXFWHIKMJENQB-NEPJUHHUSA-N	-1	0	284.319	2.811	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000353020019	227923748	/nfs/dbraw/zinc/92/37/48/227923748.db2.gz	CDCOCCKGPXMDNR-SECBINFHSA-N	-1	0	281.271	2.868	20	30		CFEDRM
CCOC(=O)c1cnc(-c2ccc([O-])c(F)c2)c(C#N)c1	ZINC001240785596	782032137	/nfs/dbraw/zinc/03/21/37/782032137.db2.gz	HOZZAKRDNAHZLR-UHFFFAOYSA-N	-1	0	286.262	2.642	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCCC1)c1ccccc1F	ZINC000049513500	260662066	/nfs/dbraw/zinc/66/20/66/260662066.db2.gz	JELXWRXLYJQODR-UHFFFAOYSA-N	-1	0	285.340	2.793	20	30		CFEDRM
C=CCCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000248615259	260917575	/nfs/dbraw/zinc/91/75/75/260917575.db2.gz	ZEORQBNPAMDUHL-AGIUHOORSA-N	-1	0	265.353	2.587	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1	ZINC000155082357	261097903	/nfs/dbraw/zinc/09/79/03/261097903.db2.gz	ZYQBKKSKSHMMEL-AMIBQAJDSA-N	-1	0	290.319	2.677	20	30		CFEDRM
C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)c([O-])c(F)c2)C1	ZINC000183633851	261983499	/nfs/dbraw/zinc/98/34/99/261983499.db2.gz	MHBUYBSKKVRUPR-PSLIRLAXSA-N	-1	0	294.301	2.873	20	30		CFEDRM
CCCN(CC#N)C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000184300045	262015798	/nfs/dbraw/zinc/01/57/98/262015798.db2.gz	XGTFLSRCSVUMJT-UHFFFAOYSA-N	-1	0	270.691	2.560	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2cc(C)cc(C(=O)[O-])c2)nc1	ZINC001243176303	782037613	/nfs/dbraw/zinc/03/76/13/782037613.db2.gz	AHHXDLIOBQEVTJ-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
Cc1ccc(F)cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188214905	262285290	/nfs/dbraw/zinc/28/52/90/262285290.db2.gz	XOLCUVNLVXBXPQ-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1	ZINC000272586894	263007237	/nfs/dbraw/zinc/00/72/37/263007237.db2.gz	ZIJYPXDTKOYLLQ-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CC(=O)c1cc(F)cc(CN2CCC(C)(C#N)CC2)c1O	ZINC000272588373	263007224	/nfs/dbraw/zinc/00/72/24/263007224.db2.gz	PCNMBKKUIIIEPC-UHFFFAOYSA-N	-1	0	290.338	2.860	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000281874491	263072770	/nfs/dbraw/zinc/07/27/70/263072770.db2.gz	RQYLMTIUYLWBNN-PXZBTUPGSA-N	-1	0	290.319	2.701	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2c(C)noc2C)n1	ZINC000041521216	263286785	/nfs/dbraw/zinc/28/67/85/263286785.db2.gz	XUJKIOCMYTWKKH-SECBINFHSA-N	-1	0	261.306	2.546	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1ccc(C#N)c(O)c1	ZINC000189146410	264272887	/nfs/dbraw/zinc/27/28/87/264272887.db2.gz	YBAVFWQVSMZISQ-NSHDSACASA-N	-1	0	258.321	2.738	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccccc1	ZINC000190679932	264425171	/nfs/dbraw/zinc/42/51/71/264425171.db2.gz	XAMPDRAGKKIVIF-ZFWWWQNUSA-N	-1	0	289.375	2.962	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)NCCCCCC(=O)[O-])c1	ZINC000308088793	267304302	/nfs/dbraw/zinc/30/43/02/267304302.db2.gz	ICWYQBCIRAXERK-UHFFFAOYSA-N	-1	0	289.335	2.633	20	30		CFEDRM
Cc1ccc2ncc(C#N)c(OCCCC(=O)[O-])c2c1	ZINC000516065366	268049065	/nfs/dbraw/zinc/04/90/65/268049065.db2.gz	IHIRPXSRNLVTJB-UHFFFAOYSA-N	-1	0	270.288	2.659	20	30		CFEDRM
CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000410544462	278883006	/nfs/dbraw/zinc/88/30/06/278883006.db2.gz	WDMKVXHXPSTWNL-OCCSQVGLSA-N	-1	0	288.395	2.912	20	30		CFEDRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C#N)ccc1F	ZINC000074932480	280508300	/nfs/dbraw/zinc/50/83/00/280508300.db2.gz	ISWSXHJBRFSXQL-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CC(=Cc1sccc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000559577939	282007700	/nfs/dbraw/zinc/00/77/00/282007700.db2.gz	FNYAAOKGSHGYHQ-RMKNXTFCSA-N	-1	0	271.345	2.880	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C#N)c(Cl)c2)C1	ZINC000263130109	297216293	/nfs/dbraw/zinc/21/62/93/297216293.db2.gz	FWHAPYPWGPBSAY-MWLCHTKSSA-N	-1	0	278.739	2.759	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(Cl)cc2C#N)C1	ZINC000263271702	297344141	/nfs/dbraw/zinc/34/41/41/297344141.db2.gz	WCHDKFBFKCOUMC-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
COc1ccc(C#N)c(-c2ccc(C(=O)[O-])cc2C)n1	ZINC001243211766	782073541	/nfs/dbraw/zinc/07/35/41/782073541.db2.gz	FPBLDMQHFMMGRW-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000274677292	328212710	/nfs/dbraw/zinc/21/27/10/328212710.db2.gz	JBISHLZLNZZWSL-UHFFFAOYSA-N	-1	0	256.664	2.673	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])nc1	ZINC000172356652	322423918	/nfs/dbraw/zinc/42/39/18/322423918.db2.gz	ISTNYFQIOBZTEG-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1	ZINC000176997261	323688244	/nfs/dbraw/zinc/68/82/44/323688244.db2.gz	WXWYKDSTWJLMHD-UHFFFAOYSA-N	-1	0	274.226	2.794	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ccccc2F)cc1[O-]	ZINC000188209962	324009992	/nfs/dbraw/zinc/00/99/92/324009992.db2.gz	KXBVJAPBQUKMIS-UHFFFAOYSA-N	-1	0	256.236	2.655	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)cc1[O-]	ZINC000188551566	324018014	/nfs/dbraw/zinc/01/80/14/324018014.db2.gz	XTDVTNFCAHZJQS-UHFFFAOYSA-N	-1	0	292.216	2.933	20	30		CFEDRM
N#Cc1csc(-c2nc(-c3ccc4n[nH]nc4c3)no2)c1	ZINC000350474152	324218705	/nfs/dbraw/zinc/21/87/05/324218705.db2.gz	CHJUDFAYTGWESW-UHFFFAOYSA-N	-1	0	294.299	2.608	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000187550055	326829050	/nfs/dbraw/zinc/82/90/50/326829050.db2.gz	ZEORQBNPAMDUHL-JHJVBQTASA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)[O-]	ZINC000261589670	327089411	/nfs/dbraw/zinc/08/94/11/327089411.db2.gz	UBRYSVBYNAXWBZ-QMMMGPOBSA-N	-1	0	259.758	2.863	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1C	ZINC000042274385	327236613	/nfs/dbraw/zinc/23/66/13/327236613.db2.gz	FSBHRWXWQFKQKA-UHFFFAOYSA-N	-1	0	267.350	2.749	20	30		CFEDRM
C=CCCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000574890121	327256768	/nfs/dbraw/zinc/25/67/68/327256768.db2.gz	ORYGFOKJMVDVGT-UHFFFAOYSA-N	-1	0	278.308	2.777	20	30		CFEDRM
CC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)o1	ZINC000559989920	327275867	/nfs/dbraw/zinc/27/58/67/327275867.db2.gz	YCWFFJKYLGJJSN-JTQLQIEISA-N	-1	0	293.282	2.849	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2ccc(F)cc2[O-])CC1	ZINC000335384853	327470250	/nfs/dbraw/zinc/47/02/50/327470250.db2.gz	PPAWSNMMXKDYHC-UHFFFAOYSA-N	-1	0	276.311	2.687	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCOCC2CC2)c(=O)c1CCC#N	ZINC000181688856	329235680	/nfs/dbraw/zinc/23/56/80/329235680.db2.gz	ZJNAHARSXDJYHF-UHFFFAOYSA-N	-1	0	291.395	2.769	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000398211930	329439565	/nfs/dbraw/zinc/43/95/65/329439565.db2.gz	JYWBXOIYPNEATG-TUAOUCFPSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)NC1(C(=O)[O-])CCCCC1	ZINC000398228937	329440335	/nfs/dbraw/zinc/44/03/35/329440335.db2.gz	RKLFJZIGTXKEMR-LBPRGKRZSA-N	-1	0	282.384	2.818	20	30		CFEDRM
C=CCCCNC(=O)N=c1[n-]nc(-c2ccccc2)s1	ZINC000564040358	329659103	/nfs/dbraw/zinc/65/91/03/329659103.db2.gz	SEIQUHAAMKYCQZ-UHFFFAOYSA-N	-1	0	288.376	2.715	20	30		CFEDRM
C[C@@H](O)CCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000418893880	329681163	/nfs/dbraw/zinc/68/11/63/329681163.db2.gz	AKTKLXKGKVTDIQ-LLVKDONJSA-N	-1	0	279.384	2.503	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000237964804	329695287	/nfs/dbraw/zinc/69/52/87/329695287.db2.gz	PROCJYUQANEMLI-UHFFFAOYSA-N	-1	0	273.332	2.769	20	30		CFEDRM
C#CCN(C(=O)CCc1ccccc1C(=O)[O-])C1CCCC1	ZINC000262076316	329999353	/nfs/dbraw/zinc/99/93/53/329999353.db2.gz	DNWXWUOTCWMECN-UHFFFAOYSA-N	-1	0	299.370	2.722	20	30		CFEDRM
C#CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1	ZINC000262591538	330022376	/nfs/dbraw/zinc/02/23/76/330022376.db2.gz	UZGDSHIGOUBRGX-KBPBESRZSA-N	-1	0	291.391	2.672	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000262746086	330028984	/nfs/dbraw/zinc/02/89/84/330028984.db2.gz	ANOBNWVUKDIGTN-LBPRGKRZSA-N	-1	0	253.342	2.589	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)C(=O)[O-]	ZINC000262773835	330030635	/nfs/dbraw/zinc/03/06/35/330030635.db2.gz	ANFZMDRRVOJPSU-CYBMUJFWSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1ccccc1C)C(=O)[O-]	ZINC000262821712	330034272	/nfs/dbraw/zinc/03/42/72/330034272.db2.gz	FCKGFFICXBGMSG-CQSZACIVSA-N	-1	0	289.375	2.808	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(=O)[O-]	ZINC000262838649	330035008	/nfs/dbraw/zinc/03/50/08/330035008.db2.gz	GQZQQAQOGKECDV-IHRRRGAJSA-N	-1	0	281.396	2.984	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C(C)(C)c1ccccc1F)C(=O)[O-]	ZINC000262868237	330035790	/nfs/dbraw/zinc/03/57/90/330035790.db2.gz	JIJALRHYDGBCQB-CYBMUJFWSA-N	-1	0	293.338	2.639	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](c1ccccc1)C(C)C)C(=O)[O-]	ZINC000262887230	330036254	/nfs/dbraw/zinc/03/62/54/330036254.db2.gz	LDVJGUHGLKDSOL-HUUCEWRRSA-N	-1	0	289.375	2.962	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]	ZINC000263204471	330049007	/nfs/dbraw/zinc/04/90/07/330049007.db2.gz	VPRZQJMSDOGLHS-RYUDHWBXSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000263314097	330052297	/nfs/dbraw/zinc/05/22/97/330052297.db2.gz	YJHIAFGEESSEHR-WFASDCNBSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1	ZINC000263340825	330052657	/nfs/dbraw/zinc/05/26/57/330052657.db2.gz	RXJZPQSFVVDNKZ-LBPRGKRZSA-N	-1	0	291.347	2.796	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1nc(Cl)ccc1O)OCC	ZINC000279695231	330123897	/nfs/dbraw/zinc/12/38/97/330123897.db2.gz	ISVUAACBIMVZHW-JTQLQIEISA-N	-1	0	284.743	2.750	20	30		CFEDRM
C=CCOc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1	ZINC000533124059	330349705	/nfs/dbraw/zinc/34/97/05/330349705.db2.gz	FPSIBRPDWVQHHS-ZZXKWVIFSA-N	-1	0	282.299	2.910	20	30		CFEDRM
CCCc1nc(=Nc2cccc(CC#N)c2)s[n-]1	ZINC000450895751	331005628	/nfs/dbraw/zinc/00/56/28/331005628.db2.gz	YSHUCSIANUMXLK-UHFFFAOYSA-N	-1	0	258.350	2.722	20	30		CFEDRM
C=C(C)CCNC(=O)c1cnc2c(C)cc(F)cc2c1O	ZINC000452721228	331073826	/nfs/dbraw/zinc/07/38/26/331073826.db2.gz	ZAPXRMGLSDHWNX-UHFFFAOYSA-N	-1	0	288.322	2.672	20	30		CFEDRM
C=CC(C)(C)CNC(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000452777416	331076865	/nfs/dbraw/zinc/07/68/65/331076865.db2.gz	NETKJIHVCIZLMR-UHFFFAOYSA-N	-1	0	285.347	2.520	20	30		CFEDRM
C=C(C)CCNC(=O)N=c1[n-]nc(CCCCC)s1	ZINC000454237023	331142467	/nfs/dbraw/zinc/14/24/67/331142467.db2.gz	VSJVFCBMRNNFMC-UHFFFAOYSA-N	-1	0	282.413	2.780	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)N=c1nc(CCC)[n-]s1	ZINC000455383394	331168111	/nfs/dbraw/zinc/16/81/11/331168111.db2.gz	SADSPJJJFSVDBJ-UHFFFAOYSA-N	-1	0	282.413	2.636	20	30		CFEDRM
C=CCn1cccc1C(=O)N=c1[n-]nc(CCCC)s1	ZINC000488372137	332002623	/nfs/dbraw/zinc/00/26/23/332002623.db2.gz	KWVWHWUFDDYSNU-UHFFFAOYSA-N	-1	0	290.392	2.542	20	30		CFEDRM
C#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)C	ZINC000491526027	332230557	/nfs/dbraw/zinc/23/05/57/332230557.db2.gz	WLZYWMRYVQCONZ-VIFPVBQESA-N	-1	0	285.265	2.587	20	30		CFEDRM
N#CC(=C([O-])c1cncc(F)c1)c1nc2ccccc2o1	ZINC000177731981	333062454	/nfs/dbraw/zinc/06/24/54/333062454.db2.gz	IXJOYMUGFHKQGN-LLVKDONJSA-N	-1	0	281.246	2.852	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(CSC)cc1)C(=O)[O-]	ZINC000315875817	333384115	/nfs/dbraw/zinc/38/41/15/333384115.db2.gz	JVQPIMDKDQPOTD-CYBMUJFWSA-N	-1	0	293.388	2.699	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1ccccc1Cl)C(=O)[O-]	ZINC000315893962	333384368	/nfs/dbraw/zinc/38/43/68/333384368.db2.gz	LSZAGYHCFBQSMF-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
Cc1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c(C)o1	ZINC000551816673	334263206	/nfs/dbraw/zinc/26/32/06/334263206.db2.gz	LNNJXAMFIYAFAG-LLVKDONJSA-N	-1	0	294.314	2.966	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2conc2C2CC2)n1	ZINC000565096115	334538372	/nfs/dbraw/zinc/53/83/72/334538372.db2.gz	HKJPJMWFVCXTHY-VIFPVBQESA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(SC)cc1)C(=O)[O-]	ZINC000262906859	334578140	/nfs/dbraw/zinc/57/81/40/334578140.db2.gz	MTOACCJHWHVCLA-LBPRGKRZSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1csc2c1CCCC2)C(=O)[O-]	ZINC000263000126	334583122	/nfs/dbraw/zinc/58/31/22/334583122.db2.gz	WFXUZJGLLGTEGP-LBPRGKRZSA-N	-1	0	293.388	2.776	20	30		CFEDRM
CC(C)(C#N)CCS(=O)(=O)[N-]c1scnc1C1CC1	ZINC000580557203	335280237	/nfs/dbraw/zinc/28/02/37/335280237.db2.gz	KYUPJLOULAKQJG-UHFFFAOYSA-N	-1	0	299.421	2.702	20	30		CFEDRM
N#CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1	ZINC000579611822	335822097	/nfs/dbraw/zinc/82/20/97/335822097.db2.gz	YHVFROIFCQLDMC-UHFFFAOYSA-N	-1	0	284.237	2.539	20	30		CFEDRM
C=CC(C)(C)CN=c1[n-]nc(C(F)(F)F)s1	ZINC000384915731	336134229	/nfs/dbraw/zinc/13/42/29/336134229.db2.gz	DDBIRQBVUBUYNV-UHFFFAOYSA-N	-1	0	251.277	2.603	20	30		CFEDRM
COc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1C#N	ZINC001243322605	782137496	/nfs/dbraw/zinc/13/74/96/782137496.db2.gz	IKEQEDBPSUZCBQ-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
N#Cc1cnc2ccc(-c3ccc([O-])c(F)c3F)cn12	ZINC001243343514	782149723	/nfs/dbraw/zinc/14/97/23/782149723.db2.gz	ZCTPEOCQOHECKN-UHFFFAOYSA-N	-1	0	271.226	2.857	20	30		CFEDRM
Cc1ccnc(N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C#N	ZINC000416439616	534405689	/nfs/dbraw/zinc/40/56/89/534405689.db2.gz	MPZDXDJZBVPLOD-LBPRGKRZSA-N	-1	0	275.352	2.953	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@H](CCC)C(=O)[O-])c1ccccc1	ZINC000263220624	534513753	/nfs/dbraw/zinc/51/37/53/534513753.db2.gz	QOWAOSHVOMTFMI-ZFWWWQNUSA-N	-1	0	289.375	2.963	20	30		CFEDRM
CCCC[C@H](C)C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000337089513	521132582	/nfs/dbraw/zinc/13/25/82/521132582.db2.gz	KANODIIKGQHSRJ-NSHDSACASA-N	-1	0	262.357	2.522	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000262818479	534563774	/nfs/dbraw/zinc/56/37/74/534563774.db2.gz	BMHISWUMOJCWOF-MRXNPFEDSA-N	-1	0	279.380	2.714	20	30		CFEDRM
CCCN(CC(=O)[O-])c1c(C#N)cnc2ccc(C)cc21	ZINC000263376319	521563585	/nfs/dbraw/zinc/56/35/85/521563585.db2.gz	BJNLVOUIHVTRRN-UHFFFAOYSA-N	-1	0	283.331	2.716	20	30		CFEDRM
CC[C@@H](C)n1ncc(NC(=O)c2ccc(C#N)c([O-])c2)c1C	ZINC000361305391	522460258	/nfs/dbraw/zinc/46/02/58/522460258.db2.gz	MXZITLTXEJQXEE-SNVBAGLBSA-N	-1	0	298.346	2.992	20	30		CFEDRM
N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1ccncn1	ZINC000354469282	534741522	/nfs/dbraw/zinc/74/15/22/534741522.db2.gz	OYHZFEFIYNKTKV-JTQLQIEISA-N	-1	0	296.311	2.683	20	30		CFEDRM
COc1ccc(CNc2cccc(C(=O)[O-])c2)cc1C#N	ZINC000087822881	524100753	/nfs/dbraw/zinc/10/07/53/524100753.db2.gz	IAAABYFIANAIMB-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
N#Cc1c(Br)cccc1NCCCC(=O)[O-]	ZINC000164973673	526517497	/nfs/dbraw/zinc/51/74/97/526517497.db2.gz	YLMRTNURISOMGG-UHFFFAOYSA-N	-1	0	283.125	2.597	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)[nH]1	ZINC000335120072	526600967	/nfs/dbraw/zinc/60/09/67/526600967.db2.gz	MPTYUQOBLWVLNS-UHFFFAOYSA-N	-1	0	279.658	2.637	20	30		CFEDRM
N#Cc1ccnc(C(=O)Nc2cccc(Cl)c2[O-])c1	ZINC000339352998	526758234	/nfs/dbraw/zinc/75/82/34/526758234.db2.gz	TUZUXBPTZAFDLM-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]nc(CCC)o2)cc1	ZINC000347871371	526874614	/nfs/dbraw/zinc/87/46/14/526874614.db2.gz	GOLXYCANYMLCRK-UHFFFAOYSA-N	-1	0	273.336	2.621	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N(C)CCCC(=O)[O-])c1	ZINC000417763553	526912119	/nfs/dbraw/zinc/91/21/19/526912119.db2.gz	VPAOJXKLRLFDTN-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)c1	ZINC000935106365	649875956	/nfs/dbraw/zinc/87/59/56/649875956.db2.gz	DCJGHOYIEZMFTO-DOMZBBRYSA-N	-1	0	286.331	2.550	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])ccc1Nc1cccc(CC(=O)[O-])c1	ZINC000738431450	574049788	/nfs/dbraw/zinc/04/97/88/574049788.db2.gz	ZIZGOSKMPMWTGT-UHFFFAOYSA-N	-1	0	297.270	2.837	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C1(C)C	ZINC000736428978	574051744	/nfs/dbraw/zinc/05/17/44/574051744.db2.gz	MLBVIYQHKQGVGL-ZDUSSCGKSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCCOc1cccc(C#N)c1	ZINC000736551751	574059453	/nfs/dbraw/zinc/05/94/53/574059453.db2.gz	HGTKKDWYBWYLBJ-JTQLQIEISA-N	-1	0	265.334	2.533	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCCCOc1ccc(C#N)cc1	ZINC000736553210	574060026	/nfs/dbraw/zinc/06/00/26/574060026.db2.gz	UYOJHCMVILGNJU-NSHDSACASA-N	-1	0	279.361	2.924	20	30		CFEDRM
CC(F)(F)CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736629792	574062345	/nfs/dbraw/zinc/06/23/45/574062345.db2.gz	OMYMHLLPWIJQMV-GFCCVEGCSA-N	-1	0	297.257	2.663	20	30		CFEDRM
CCC/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000736960053	574087962	/nfs/dbraw/zinc/08/79/62/574087962.db2.gz	UQBBJXFEOVFYKN-ZHUYAKLQSA-N	-1	0	287.315	2.974	20	30		CFEDRM
C=C(C)COC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738485295	574089136	/nfs/dbraw/zinc/08/91/36/574089136.db2.gz	HUADYHHXOYOEDF-UHFFFAOYSA-N	-1	0	253.229	2.649	20	30		CFEDRM
O=C([O-])C(F)(F)Oc1ccc(C=NNC2CCCC2)cc1	ZINC000730732681	574094867	/nfs/dbraw/zinc/09/48/67/574094867.db2.gz	NBDJNCNDGSPPDP-UHFFFAOYSA-N	-1	0	298.289	2.609	20	30		CFEDRM
C=CCCCOC(=O)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738493416	574095917	/nfs/dbraw/zinc/09/59/17/574095917.db2.gz	NGRQRWMPOCAXOR-LBPRGKRZSA-N	-1	0	263.293	2.505	20	30		CFEDRM
COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)[nH]1	ZINC000751515030	574111537	/nfs/dbraw/zinc/11/15/37/574111537.db2.gz	XTTIJRGGWQCIKI-QPJJXVBHSA-N	-1	0	289.262	2.542	20	30		CFEDRM
CCCCCCCC(=O)N1CCC(N(C)C(=O)[O-])CC1	ZINC000737816374	574126046	/nfs/dbraw/zinc/12/60/46/574126046.db2.gz	MNEJFXXVMAPUQD-UHFFFAOYSA-N	-1	0	284.400	2.948	20	30		CFEDRM
CN(CCC#N)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000737412017	574139237	/nfs/dbraw/zinc/13/92/37/574139237.db2.gz	HESKSSOLGADIFM-NSHDSACASA-N	-1	0	287.146	2.965	20	30		CFEDRM
CC1(C)C(N=Nc2ccccc2C(=O)[O-])[C@H]2CCO[C@@H]21	ZINC000737426631	574140105	/nfs/dbraw/zinc/14/01/05/574140105.db2.gz	BVGWGMFCQFMQAV-MFKMUULPSA-N	-1	0	274.320	2.598	20	30		CFEDRM
CC(=NOCc1cccnc1)c1ccc(CC(=O)[O-])cc1	ZINC000746585973	574156183	/nfs/dbraw/zinc/15/61/83/574156183.db2.gz	PVDABNYBGFOMRI-UHFFFAOYSA-N	-1	0	284.315	2.650	20	30		CFEDRM
CC(=NOCc1cccnc1)c1ccc(C(=O)[O-])cc1	ZINC000746587689	574156622	/nfs/dbraw/zinc/15/66/22/574156622.db2.gz	DVKCOYQWJVAAGU-UHFFFAOYSA-N	-1	0	270.288	2.721	20	30		CFEDRM
C#CCN(C(=O)CCC(C)(C)NC(=O)[O-])C1CCCCC1	ZINC000738457603	574170204	/nfs/dbraw/zinc/17/02/04/574170204.db2.gz	QKBBABWMJBHOHJ-UHFFFAOYSA-N	-1	0	294.395	2.607	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000738488985	574170646	/nfs/dbraw/zinc/17/06/46/574170646.db2.gz	PWQGWDXMXBTEQV-JTQLQIEISA-N	-1	0	277.324	2.540	20	30		CFEDRM
C=CC[C@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738488304	574170691	/nfs/dbraw/zinc/17/06/91/574170691.db2.gz	IJUFMMLXYWEVAZ-GXTWGEPZSA-N	-1	0	290.363	2.856	20	30		CFEDRM
Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)o1	ZINC000738594929	574175334	/nfs/dbraw/zinc/17/53/34/574175334.db2.gz	ZEUZNJFTTJGHIA-OAHLLOKOSA-N	-1	0	284.315	2.717	20	30		CFEDRM
O=C([O-])c1csc(CN=Nc2cnc3ccccc3n2)c1	ZINC000755682289	574178087	/nfs/dbraw/zinc/17/80/87/574178087.db2.gz	DFVXQQFMFLEHOP-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
CC(C)C[C@H](C#N)NC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738801100	574185459	/nfs/dbraw/zinc/18/54/59/574185459.db2.gz	ADKGSZUTDHQVTO-SNVBAGLBSA-N	-1	0	293.298	2.584	20	30		CFEDRM
Cc1ccnc(N=NCc2cccc(O[C@@H](C)C(=O)[O-])c2)c1	ZINC000755906613	574196595	/nfs/dbraw/zinc/19/65/95/574196595.db2.gz	NUSAEVOHHGFSSM-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cccc(F)c2C(=O)[O-])c1	ZINC000739091002	574197751	/nfs/dbraw/zinc/19/77/51/574197751.db2.gz	DEWINABGCQWDLC-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
N#Cc1cccc(OCc2ccc(F)cc2C(=O)[O-])c1	ZINC000739140282	574199517	/nfs/dbraw/zinc/19/95/17/574199517.db2.gz	RKPKWVRFELRLJD-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1	ZINC000739132965	574199596	/nfs/dbraw/zinc/19/95/96/574199596.db2.gz	XMYVHYGIIZNXRV-CQSZACIVSA-N	-1	0	299.257	2.680	20	30		CFEDRM
Cc1ccc(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)o1	ZINC000733206300	574210797	/nfs/dbraw/zinc/21/07/97/574210797.db2.gz	GGXJNXGABVHJEL-VOTSOKGWSA-N	-1	0	286.283	2.948	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/C[C@H](NC(=O)[O-])C(C)C)c1	ZINC000739504760	574215880	/nfs/dbraw/zinc/21/58/80/574215880.db2.gz	OKCXHXKARYTHTB-MJOIQJIUSA-N	-1	0	294.351	2.502	20	30		CFEDRM
CN(C[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C(=O)[O-]	ZINC000739644555	574221648	/nfs/dbraw/zinc/22/16/48/574221648.db2.gz	KOADCPXAJXLOSN-GFCCVEGCSA-N	-1	0	291.326	2.524	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2c(F)cccc2F)c1	ZINC000740155163	574239959	/nfs/dbraw/zinc/23/99/59/574239959.db2.gz	NRAAJEUECWMXFQ-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2ccc(F)cc2)c1	ZINC000740160257	574240608	/nfs/dbraw/zinc/24/06/08/574240608.db2.gz	IMENMDBIJYNIEU-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
CC(C)c1nc(C#N)c(N=NCc2ccc(C(=O)[O-])cc2)o1	ZINC000745624996	574242629	/nfs/dbraw/zinc/24/26/29/574242629.db2.gz	RIWQCTBXWVTBLR-UHFFFAOYSA-N	-1	0	298.302	2.814	20	30		CFEDRM
O=C([O-])c1coc(CON=Cc2ccccc2F)c1	ZINC000740268744	574245111	/nfs/dbraw/zinc/24/51/11/574245111.db2.gz	GYVZBWOZNMERPQ-UHFFFAOYSA-N	-1	0	263.224	2.668	20	30		CFEDRM
N#CCCCCN1CCN(C(=O)[O-])Cc2ccccc21	ZINC000740306428	574246267	/nfs/dbraw/zinc/24/62/67/574246267.db2.gz	GMDDTMQSAZZUOZ-UHFFFAOYSA-N	-1	0	273.336	2.680	20	30		CFEDRM
N#Cc1ccc(NCc2ccc(CCNC(=O)[O-])cc2)cc1	ZINC000740319139	574246621	/nfs/dbraw/zinc/24/66/21/574246621.db2.gz	LGLFVFYCVADEBH-UHFFFAOYSA-N	-1	0	295.342	2.980	20	30		CFEDRM
N#Cc1c(F)cccc1NC1CCC(NC(=O)[O-])CC1	ZINC000740310444	574246670	/nfs/dbraw/zinc/24/66/70/574246670.db2.gz	FWQBPQGIPCDXOZ-UHFFFAOYSA-N	-1	0	277.299	2.688	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCN(C(=O)[O-])C2)c(C(F)(F)F)c1	ZINC000740316754	574246731	/nfs/dbraw/zinc/24/67/31/574246731.db2.gz	NRCDUVUAHGASQD-VIFPVBQESA-N	-1	0	299.252	2.741	20	30		CFEDRM
N#Cc1cccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c1	ZINC000740320665	574247094	/nfs/dbraw/zinc/24/70/94/574247094.db2.gz	VRLCMSJTILKBGY-UHFFFAOYSA-N	-1	0	298.302	2.645	20	30		CFEDRM
N#Cc1ccccc1COc1cccc(CNC(=O)[O-])c1	ZINC000740323106	574247168	/nfs/dbraw/zinc/24/71/68/574247168.db2.gz	IDMKRRNVDQPCLB-UHFFFAOYSA-N	-1	0	282.299	2.905	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2ccccc2NC(=O)[O-])c1	ZINC000740320272	574247340	/nfs/dbraw/zinc/24/73/40/574247340.db2.gz	IYPMBCHNGHZOMG-UHFFFAOYSA-N	-1	0	281.271	2.900	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2scnc2Cl)c1	ZINC000748410090	574250899	/nfs/dbraw/zinc/25/08/99/574250899.db2.gz	GDUDHAWOLDYDSS-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
CCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000748410992	574251446	/nfs/dbraw/zinc/25/14/46/574251446.db2.gz	RSZZZHOWHVYMQT-UHFFFAOYSA-N	-1	0	287.344	2.844	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNCC(F)F	ZINC000740616162	574258101	/nfs/dbraw/zinc/25/81/01/574258101.db2.gz	JTWXDBMOIANEPZ-UHFFFAOYSA-N	-1	0	269.078	2.888	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC[C@@H](C)c2ccc(F)cc2)n1	ZINC000756872862	574270035	/nfs/dbraw/zinc/27/00/35/574270035.db2.gz	LYNXXHZZDDLFSW-SECBINFHSA-N	-1	0	274.299	2.831	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])cc1OC)[C@@H]1CCOC1	ZINC000756905834	574272275	/nfs/dbraw/zinc/27/22/75/574272275.db2.gz	MGKGGHZWBMOTGN-LLVKDONJSA-N	-1	0	292.335	2.608	20	30		CFEDRM
CCCCCCCCSc1n[n-]c2nc(=O)c(C)nn12	ZINC000734234723	574280164	/nfs/dbraw/zinc/28/01/64/574280164.db2.gz	DMMZJBNRCWUESI-UHFFFAOYSA-N	-1	0	295.412	2.574	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnccn1	ZINC000734744316	574300797	/nfs/dbraw/zinc/30/07/97/574300797.db2.gz	LTDUPCOCUNTBHT-UHFFFAOYSA-N	-1	0	290.710	2.664	20	30		CFEDRM
O=C(/C=C/c1nccs1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000749590459	574301103	/nfs/dbraw/zinc/30/11/03/574301103.db2.gz	MWSMCEVMIQVPMI-ONEGZZNKSA-N	-1	0	276.273	2.653	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccc(Cl)nc2)cc1	ZINC000743449710	574305823	/nfs/dbraw/zinc/30/58/23/574305823.db2.gz	FQSHWYIUDBLACH-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Oc1ccc(C=NNc2cccc3ncccc32)nc1	ZINC000755650645	574310995	/nfs/dbraw/zinc/31/09/95/574310995.db2.gz	DCJZNDSTXZUFKZ-UHFFFAOYSA-N	-1	0	264.288	2.781	20	30		CFEDRM
O=C([O-])c1ccccc1CN=Nc1ncnc2sccc21	ZINC000725817520	574316227	/nfs/dbraw/zinc/31/62/27/574316227.db2.gz	IAQMPXOPKWKLDF-UHFFFAOYSA-N	-1	0	298.327	2.836	20	30		CFEDRM
Oc1ccccc1/C=N\Cc1cccc(-n2cncn2)c1	ZINC000735413968	574322641	/nfs/dbraw/zinc/32/26/41/574322641.db2.gz	ARTIHJFPNAGWNQ-YVLHZVERSA-N	-1	0	278.315	2.592	20	30		CFEDRM
C=CCN(C(=O)CCCN(C)C(=O)[O-])c1ccccc1	ZINC000736108157	574350222	/nfs/dbraw/zinc/35/02/22/574350222.db2.gz	MFUOJDZUKYIBLS-UHFFFAOYSA-N	-1	0	276.336	2.596	20	30		CFEDRM
C=CCCSCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000736108498	574350254	/nfs/dbraw/zinc/35/02/54/574350254.db2.gz	VVMXESDHMDGQAM-UHFFFAOYSA-N	-1	0	265.334	2.633	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1	ZINC000736094564	574350687	/nfs/dbraw/zinc/35/06/87/574350687.db2.gz	MRTGSGYGAUKMJC-UHFFFAOYSA-N	-1	0	283.715	2.675	20	30		CFEDRM
C#Cc1cccc(N(CC)Cc2ccc(C(=O)[O-])o2)c1	ZINC000736091333	574350831	/nfs/dbraw/zinc/35/08/31/574350831.db2.gz	PPXPJIBQYKPIAY-UHFFFAOYSA-N	-1	0	269.300	2.986	20	30		CFEDRM
C[C@H](C#N)Oc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1	ZINC000736204119	574354257	/nfs/dbraw/zinc/35/42/57/574354257.db2.gz	YQBPBXVBZXTYLE-HMHNVIDESA-N	-1	0	294.310	2.998	20	30		CFEDRM
CC(C)(C#N)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1	ZINC000736222445	574355360	/nfs/dbraw/zinc/35/53/60/574355360.db2.gz	DJESMKQZMUDSKR-UHFFFAOYSA-N	-1	0	274.320	2.537	20	30		CFEDRM
N#Cc1ccc([C@@H](Nc2ccc3c(c2)OCO3)C(=O)[O-])cc1	ZINC000739107462	574359105	/nfs/dbraw/zinc/35/91/05/574359105.db2.gz	CCCWZPYIGHDXOL-OAHLLOKOSA-N	-1	0	296.282	2.525	20	30		CFEDRM
CCC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)C1CC1	ZINC000736304270	574361168	/nfs/dbraw/zinc/36/11/68/574361168.db2.gz	MRTBNQFQJHRVAY-UHFFFAOYSA-N	-1	0	289.343	2.566	20	30		CFEDRM
CC1(C)C(N=Nc2cccc(C(=O)[O-])c2)[C@@H]2CCCO[C@@H]21	ZINC000743418236	574363295	/nfs/dbraw/zinc/36/32/95/574363295.db2.gz	XQJPXFGXYUMNGX-JSGCOSHPSA-N	-1	0	288.347	2.988	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C	ZINC000398202193	574363900	/nfs/dbraw/zinc/36/39/00/574363900.db2.gz	FZLZHUHORBAPHQ-WDEREUQCSA-N	-1	0	270.373	2.530	20	30		CFEDRM
C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000743538208	574368244	/nfs/dbraw/zinc/36/82/44/574368244.db2.gz	JHOWOPJYJZHWBF-XBTXGSBDSA-N	-1	0	271.276	2.876	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccccc2C2CC2)C(=O)O1	ZINC000751031667	574368623	/nfs/dbraw/zinc/36/86/23/574368623.db2.gz	BDETXWDHIMCBDY-IJDCCNJMSA-N	-1	0	296.322	2.792	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNCc1cccc(F)c1	ZINC000751130973	574369922	/nfs/dbraw/zinc/36/99/22/574369922.db2.gz	OLSUTNYTAVWSLF-UHFFFAOYSA-N	-1	0	289.266	2.563	20	30		CFEDRM
CC[C@@](C)(C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000739215134	574376879	/nfs/dbraw/zinc/37/68/79/574376879.db2.gz	UTENDLKUXFFCTH-ZDUSSCGKSA-N	-1	0	295.726	2.852	20	30		CFEDRM
N#Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000526855311	597288641	/nfs/dbraw/zinc/28/86/41/597288641.db2.gz	AQHIENDCZQGHIB-OAQYLSRUSA-N	-1	0	299.351	2.705	20	30		CFEDRM
C=CCN(C(=O)Nc1ccccc1CC(=O)[O-])C(C)C	ZINC000162363009	597327100	/nfs/dbraw/zinc/32/71/00/597327100.db2.gz	AXRLYXNUDZEIQN-UHFFFAOYSA-N	-1	0	276.336	2.742	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\[C@H](C(=O)[O-])[C@@H](C)CC)c1	ZINC000820387376	597393767	/nfs/dbraw/zinc/39/37/67/597393767.db2.gz	NGLCXRZZSMBVNN-NFUFCIBPSA-N	-1	0	279.336	2.709	20	30		CFEDRM
N#CCc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1	ZINC000776629697	597422588	/nfs/dbraw/zinc/42/25/88/597422588.db2.gz	GFONSVJOUOWEGL-UHFFFAOYSA-N	-1	0	294.310	2.632	20	30		CFEDRM
Cc1cc(N=Cc2ccc(O)c(O)c2O)ccc1C(=O)[O-]	ZINC000820986468	597463327	/nfs/dbraw/zinc/46/33/27/597463327.db2.gz	UVIJUTDHHBMEDO-UHFFFAOYSA-N	-1	0	287.271	2.561	20	30		CFEDRM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C#N)cc1	ZINC000820129903	598154370	/nfs/dbraw/zinc/15/43/70/598154370.db2.gz	RXMKKJUHZLKCJH-LLVKDONJSA-N	-1	0	294.310	2.747	20	30		CFEDRM
Cc1cc(C#N)ccc1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000820953856	598180737	/nfs/dbraw/zinc/18/07/37/598180737.db2.gz	IGQMZCLJJBMSAH-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)[O-])c1cccc(Cl)c1	ZINC000820114841	598222472	/nfs/dbraw/zinc/22/24/72/598222472.db2.gz	QXSUELCHXGZOIE-OTYXRUKQSA-N	-1	0	294.738	2.522	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C(F)F)c1	ZINC000819857542	598226107	/nfs/dbraw/zinc/22/61/07/598226107.db2.gz	XWYAKJYRERMGTQ-CYBMUJFWSA-N	-1	0	282.246	2.567	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899828884	620604982	/nfs/dbraw/zinc/60/49/82/620604982.db2.gz	ARKDVGMIQSNMNJ-RYUDHWBXSA-N	-1	0	255.358	2.594	20	30		CFEDRM
Cc1sc(NC(=O)N(C)C[C@@H](C)C#N)c(C(=O)[O-])c1C	ZINC000062828223	599879485	/nfs/dbraw/zinc/87/94/85/599879485.db2.gz	LSTPDJBXKANHPC-ZETCQYMHSA-N	-1	0	295.364	2.687	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000037827706	600061689	/nfs/dbraw/zinc/06/16/89/600061689.db2.gz	DTSCQXIEVZTTHR-UWVGGRQHSA-N	-1	0	299.779	2.637	20	30		CFEDRM
C=C(Br)CN1Cc2ccc(C(=O)[O-])cc2C1	ZINC000169155708	600109942	/nfs/dbraw/zinc/10/99/42/600109942.db2.gz	RWRDWOMOSYDLID-UHFFFAOYSA-N	-1	0	282.137	2.609	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000042461943	600120268	/nfs/dbraw/zinc/12/02/68/600120268.db2.gz	MSRFBZXPBVOJSZ-MRVPVSSYSA-N	-1	0	295.726	2.662	20	30		CFEDRM
C=CCCCN(C)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000237042735	600253324	/nfs/dbraw/zinc/25/33/24/600253324.db2.gz	KZUPRZKJXACXKE-UHFFFAOYSA-N	-1	0	275.348	2.742	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000163116397	600268460	/nfs/dbraw/zinc/26/84/60/600268460.db2.gz	XXFTZOBRKCIRHK-VIFPVBQESA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=CC[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000163123880	600268483	/nfs/dbraw/zinc/26/84/83/600268483.db2.gz	ZUYGFUKSQMKXQQ-QMMMGPOBSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=CCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000211764824	600378701	/nfs/dbraw/zinc/37/87/01/600378701.db2.gz	XTOJGKUZDVRNSY-UHFFFAOYSA-N	-1	0	251.238	2.638	20	30		CFEDRM
C=CCN(Cc1cc(C(=O)[O-])oc1C)CC(F)(F)F	ZINC000688898271	600499797	/nfs/dbraw/zinc/49/97/97/600499797.db2.gz	YXEHAJREMPLDEI-UHFFFAOYSA-N	-1	0	277.242	2.837	20	30		CFEDRM
C[C@H](CSCc1cc(C#N)ccc1F)C(=O)[O-]	ZINC000086109043	600600499	/nfs/dbraw/zinc/60/04/99/600600499.db2.gz	HUDAQGLLHRGSNY-MRVPVSSYSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C=CCc1cc([N+](=O)[O-])ccc1OC/C=C(\C)C(=O)[O-]	ZINC000825705329	600726093	/nfs/dbraw/zinc/72/60/93/600726093.db2.gz	CDARRFVJEBBNQX-JXMROGBWSA-N	-1	0	277.276	2.733	20	30		CFEDRM
C=CCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1	ZINC000776675050	600804204	/nfs/dbraw/zinc/80/42/04/600804204.db2.gz	YJGKALJBXHUSOC-GFCCVEGCSA-N	-1	0	281.739	2.938	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3c(O)cccc3C2=O)o1	ZINC000833312671	600830342	/nfs/dbraw/zinc/83/03/42/600830342.db2.gz	SKUFZEHFFRZGFZ-HJWRWDBZSA-N	-1	0	284.267	2.896	20	30		CFEDRM
C=CCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000147237772	600861171	/nfs/dbraw/zinc/86/11/71/600861171.db2.gz	NHKBDEBHIUJTNJ-LLVKDONJSA-N	-1	0	259.305	2.558	20	30		CFEDRM
C=CCOc1ccc(OC(=O)CCCN(C)C(=O)[O-])cc1	ZINC000825698767	600932602	/nfs/dbraw/zinc/93/26/02/600932602.db2.gz	ISDQQUVNZQXNJC-UHFFFAOYSA-N	-1	0	293.319	2.547	20	30		CFEDRM
CC(C)C[C@@H](OC(=O)/C=C\c1ccccc1C#N)C(=O)[O-]	ZINC000826815213	600953263	/nfs/dbraw/zinc/95/32/63/600953263.db2.gz	YDKFGCLINVLJCJ-WBTMPAOCSA-N	-1	0	287.315	2.614	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Sc1ccc(Cl)c(C#N)n1	ZINC000827385423	601251887	/nfs/dbraw/zinc/25/18/87/601251887.db2.gz	KIRXLYNHXWRION-LURJTMIESA-N	-1	0	256.714	2.562	20	30		CFEDRM
N#Cc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1	ZINC000126770207	601269648	/nfs/dbraw/zinc/26/96/48/601269648.db2.gz	WXFMKAKZHDTOGL-UHFFFAOYSA-N	-1	0	284.246	2.648	20	30		CFEDRM
Cc1ccc(NC(=O)C#Cc2ccccc2)cc1C(=O)[O-]	ZINC000110987704	601291241	/nfs/dbraw/zinc/29/12/41/601291241.db2.gz	GNIAEHVPQBIEFH-UHFFFAOYSA-N	-1	0	279.295	2.683	20	30		CFEDRM
N#Cc1cccc([C@H](NCc2ccc(Cl)o2)C(=O)[O-])c1	ZINC000833075407	601298961	/nfs/dbraw/zinc/29/89/61/601298961.db2.gz	LCPFOJXDXIHWKC-ZDUSSCGKSA-N	-1	0	290.706	2.720	20	30		CFEDRM
Cc1ccsc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832984549	601303159	/nfs/dbraw/zinc/30/31/59/601303159.db2.gz	VSZLATHHYABRBZ-CQSZACIVSA-N	-1	0	286.356	2.844	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)C2CCCCC2)C(=O)[O-])c1	ZINC000833074888	601344323	/nfs/dbraw/zinc/34/43/23/601344323.db2.gz	GAUOQMISYLHJND-CQSZACIVSA-N	-1	0	287.315	2.807	20	30		CFEDRM
Cc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832976810	601344371	/nfs/dbraw/zinc/34/43/71/601344371.db2.gz	FHQACFCJCHDDFU-HNNXBMFYSA-N	-1	0	295.294	2.849	20	30		CFEDRM
Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832963191	601345204	/nfs/dbraw/zinc/34/52/04/601345204.db2.gz	NQJVPWDXDOSGMD-HNNXBMFYSA-N	-1	0	295.294	2.849	20	30		CFEDRM
CC(C)CCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826844606	601345471	/nfs/dbraw/zinc/34/54/71/601345471.db2.gz	BZUCLNXURAXDPO-CQSZACIVSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CCC/C=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829266062	601349129	/nfs/dbraw/zinc/34/91/29/601349129.db2.gz	FZSAJORMJVBNMA-PXYYCUNGSA-N	-1	0	273.288	2.583	20	30		CFEDRM
CCCCC[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000829347485	601383085	/nfs/dbraw/zinc/38/30/85/601383085.db2.gz	JYAWRGQPUGVWFO-LBPRGKRZSA-N	-1	0	291.307	2.912	20	30		CFEDRM
O=C([O-])c1ccc(/C=C2/CCc3cc(O)ccc3C2=O)[nH]1	ZINC000833312892	601446072	/nfs/dbraw/zinc/44/60/72/601446072.db2.gz	ZGROTTNISKPADB-YFHOEESVSA-N	-1	0	283.283	2.631	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(OC)cc1C(=O)[O-]	ZINC000825671344	601450692	/nfs/dbraw/zinc/45/06/92/601450692.db2.gz	NCFSVYJBBYSFPC-UHFFFAOYSA-N	-1	0	263.293	2.688	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000825671309	601582355	/nfs/dbraw/zinc/58/23/55/601582355.db2.gz	LLYVREGEKBBJAI-CYBMUJFWSA-N	-1	0	281.739	2.938	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000063097622	601625267	/nfs/dbraw/zinc/62/52/67/601625267.db2.gz	MPJIEAAUHHJCKQ-MRVPVSSYSA-N	-1	0	295.726	2.804	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCc2cccc(Cl)c2)o1	ZINC000833311976	601627360	/nfs/dbraw/zinc/62/73/60/601627360.db2.gz	GJSJLOWNBXAOIN-UHFFFAOYSA-N	-1	0	278.695	2.755	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1	ZINC000825675933	601725470	/nfs/dbraw/zinc/72/54/70/601725470.db2.gz	LIUVRFCAHUKHDL-JTQLQIEISA-N	-1	0	296.294	2.548	20	30		CFEDRM
COc1cc(C)ccc1C(=O)/C=C\c1c[nH]c(C(=O)[O-])c1	ZINC000831967139	601791866	/nfs/dbraw/zinc/79/18/66/601791866.db2.gz	PJZKTQBTTLTPJA-XQRVVYSFSA-N	-1	0	285.299	2.926	20	30		CFEDRM
O=C([O-])c1cc(CN=Nc2ncccc2C(F)(F)F)c[nH]1	ZINC000814801933	601797113	/nfs/dbraw/zinc/79/71/13/601797113.db2.gz	VLFNMELVHVTWAJ-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cc(F)ccc2F)c[nH]1	ZINC000833297210	601825902	/nfs/dbraw/zinc/82/59/02/601825902.db2.gz	CHVFJHCYGCYRLH-RJRFIUFISA-N	-1	0	277.226	2.887	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccccc2F)c[nH]1	ZINC000833298484	601826121	/nfs/dbraw/zinc/82/61/21/601826121.db2.gz	WHSPTTVVPODWNJ-WAYWQWQTSA-N	-1	0	259.236	2.748	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1	ZINC000828156425	601854818	/nfs/dbraw/zinc/85/48/18/601854818.db2.gz	KHUYYSJYSBGXRR-UHFFFAOYSA-N	-1	0	287.319	2.679	20	30		CFEDRM
N#Cc1csc(C(=O)OCc2ccc(C(=O)[O-])s2)c1	ZINC000833078058	602012634	/nfs/dbraw/zinc/01/26/34/602012634.db2.gz	BFVSVDBUFHNUMR-UHFFFAOYSA-N	-1	0	293.325	2.736	20	30		CFEDRM
C#CCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1	ZINC000825626054	602032696	/nfs/dbraw/zinc/03/26/96/602032696.db2.gz	UGAJZZWAEPEPBA-UHFFFAOYSA-N	-1	0	287.193	2.585	20	30		CFEDRM
CC(C)c1csc(C(C#N)C(=O)[C@H](C)CC(=O)[O-])n1	ZINC000827240771	602195314	/nfs/dbraw/zinc/19/53/14/602195314.db2.gz	NRGBWLYCLJEMMZ-BDAKNGLRSA-N	-1	0	280.349	2.554	20	30		CFEDRM
O=C([O-])c1ccc(C=CC(=O)c2c[nH]c3ncccc23)o1	ZINC000833311696	602300403	/nfs/dbraw/zinc/30/04/03/602300403.db2.gz	AYPVIMPOCJVJGO-HWKANZROSA-N	-1	0	282.255	2.750	20	30		CFEDRM
C[C@@H](CC#N)N(C)CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000827217554	602328280	/nfs/dbraw/zinc/32/82/80/602328280.db2.gz	GHSHHEFSAURVNC-JTQLQIEISA-N	-1	0	296.754	2.651	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000826707337	602786883	/nfs/dbraw/zinc/78/68/83/602786883.db2.gz	XWOMDDGEXREOIY-NSHDSACASA-N	-1	0	275.308	2.507	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000823490505	602954991	/nfs/dbraw/zinc/95/49/91/602954991.db2.gz	DXSJYNQTCOHQCK-SNVBAGLBSA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=C(Cl)CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823480877	602965482	/nfs/dbraw/zinc/96/54/82/602965482.db2.gz	QRVPVXCYSQMMOX-ZYHUDNBSSA-N	-1	0	296.754	2.500	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823496842	603657332	/nfs/dbraw/zinc/65/73/32/603657332.db2.gz	QDADIWNJQQKRLY-CHWSQXEVSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000823490917	603767323	/nfs/dbraw/zinc/76/73/23/603767323.db2.gz	NROCSSVZUYTKAS-SSDOTTSWSA-N	-1	0	267.260	2.612	20	30		CFEDRM
C=C[C@@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823491373	603769345	/nfs/dbraw/zinc/76/93/45/603769345.db2.gz	VHQKRILRGZOGIZ-ZJUUUORDSA-N	-1	0	277.324	2.711	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1	ZINC000825784077	603978980	/nfs/dbraw/zinc/97/89/80/603978980.db2.gz	VCVCLXNOUVFUGA-UHFFFAOYSA-N	-1	0	291.282	2.794	20	30		CFEDRM
C=CCC(CC=C)C(=O)N(C)C1CCC(NC(=O)[O-])CC1	ZINC000823490356	604069412	/nfs/dbraw/zinc/06/94/12/604069412.db2.gz	ACMFEJIPLNPXPP-UHFFFAOYSA-N	-1	0	294.395	2.792	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1	ZINC000824542428	604136951	/nfs/dbraw/zinc/13/69/51/604136951.db2.gz	BPGPMVGBQLCHSI-SECBINFHSA-N	-1	0	276.296	2.542	20	30		CFEDRM
C#CCCCOC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823444602	604231726	/nfs/dbraw/zinc/23/17/26/604231726.db2.gz	NMNRRAJCUOVGOI-JSGCOSHPSA-N	-1	0	289.331	2.588	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)OCC	ZINC000833367947	604539965	/nfs/dbraw/zinc/53/99/65/604539965.db2.gz	YMQFRFMYHPSNPO-CYBMUJFWSA-N	-1	0	295.310	2.834	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000832849943	604566244	/nfs/dbraw/zinc/56/62/44/604566244.db2.gz	UQASOOPBHZKJIS-NWDGAFQWSA-N	-1	0	286.331	2.696	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)OCC	ZINC000833367747	604566537	/nfs/dbraw/zinc/56/65/37/604566537.db2.gz	SVCJXGIQKBGYFW-JTQLQIEISA-N	-1	0	283.349	2.756	20	30		CFEDRM
C=CCC[C@H](O)CN1CCCN(C(=O)[O-])c2ccccc21	ZINC000823496454	604575668	/nfs/dbraw/zinc/57/56/68/604575668.db2.gz	JUVZHXJOJJQEGN-ZDUSSCGKSA-N	-1	0	290.363	2.708	20	30		CFEDRM
C=C(C)[C@H](CC(=O)OCc1cc(C(=O)[O-])c(C)o1)OCC	ZINC000833368667	604596895	/nfs/dbraw/zinc/59/68/95/604596895.db2.gz	OZEDZXGONGERAV-ZDUSSCGKSA-N	-1	0	296.319	2.701	20	30		CFEDRM
C=C(C)[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)OCC	ZINC000833368738	604603866	/nfs/dbraw/zinc/60/38/66/604603866.db2.gz	RPLIBVZWNZGEHO-AWEZNQCLSA-N	-1	0	292.331	2.590	20	30		CFEDRM
Cc1ncccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1	ZINC000833009392	604629639	/nfs/dbraw/zinc/62/96/39/604629639.db2.gz	SRLOLAZEKDDXFJ-CMDGGOBGSA-N	-1	0	267.284	2.984	20	30		CFEDRM
Cc1cc(N)ccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763372082	604667559	/nfs/dbraw/zinc/66/75/59/604667559.db2.gz	QTMOTOGANMJRCF-UHFFFAOYSA-N	-1	0	284.319	2.507	20	30		CFEDRM
Cc1cccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)c1	ZINC000763371688	604668522	/nfs/dbraw/zinc/66/85/22/604668522.db2.gz	IIRSSKBXKDKEPJ-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CCN(Cc1ccoc1)[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000829734957	604736887	/nfs/dbraw/zinc/73/68/87/604736887.db2.gz	XAULAKJMQOMWQF-HNNXBMFYSA-N	-1	0	284.315	2.799	20	30		CFEDRM
C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])C(C)(C)C#N	ZINC000833529176	604790929	/nfs/dbraw/zinc/79/09/29/604790929.db2.gz	NBKJEHUWXIATNB-NSHDSACASA-N	-1	0	289.331	2.799	20	30		CFEDRM
O=C([O-])c1ccc(NCC#Cc2ccc(F)cc2)cc1	ZINC000196094964	604811894	/nfs/dbraw/zinc/81/18/94/604811894.db2.gz	CKVHTLTZXHWYAC-UHFFFAOYSA-N	-1	0	269.275	2.988	20	30		CFEDRM
N#Cc1c(Cl)nsc1SCCCC(=O)[O-]	ZINC000833761263	604833043	/nfs/dbraw/zinc/83/30/43/604833043.db2.gz	RJLZMKJCPQFVDD-UHFFFAOYSA-N	-1	0	262.743	2.625	20	30		CFEDRM
C=CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CC1	ZINC000833375107	604904645	/nfs/dbraw/zinc/90/46/45/604904645.db2.gz	WLDFXUODLOHAEF-UHFFFAOYSA-N	-1	0	298.342	2.517	20	30		CFEDRM
C[C@@H](c1cccnc1)N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833550977	604914077	/nfs/dbraw/zinc/91/40/77/604914077.db2.gz	ZVOYLSJYUJWWRV-LBPRGKRZSA-N	-1	0	295.342	2.844	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(OC)ccc1C(=O)[O-])C1CC1	ZINC000162384360	604973424	/nfs/dbraw/zinc/97/34/24/604973424.db2.gz	GQNVHJHCTDGGCY-UHFFFAOYSA-N	-1	0	290.319	2.576	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000833373529	604991701	/nfs/dbraw/zinc/99/17/01/604991701.db2.gz	RNRUDFJVQQWGBT-SRVKXCTJSA-N	-1	0	254.326	2.775	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1	ZINC000833373436	604991711	/nfs/dbraw/zinc/99/17/11/604991711.db2.gz	PAYFAYKJCYXGDG-NSHDSACASA-N	-1	0	278.304	2.662	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000236434952	605004537	/nfs/dbraw/zinc/00/45/37/605004537.db2.gz	IXPLZPUVGUDJKK-AWEZNQCLSA-N	-1	0	273.332	2.512	20	30		CFEDRM
C=C(CC)CNc1cc(C(=O)[O-])cc(OC)c1OC	ZINC000833370505	605005132	/nfs/dbraw/zinc/00/51/32/605005132.db2.gz	PGQGRTKIEOQBLF-UHFFFAOYSA-N	-1	0	265.309	2.780	20	30		CFEDRM
C=C(CC)COC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C	ZINC000833369739	605014460	/nfs/dbraw/zinc/01/44/60/605014460.db2.gz	CVFCGWMSBIDQQH-UHFFFAOYSA-N	-1	0	265.309	2.707	20	30		CFEDRM
C=C[C@@H](CC(=O)O[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000833370941	605017559	/nfs/dbraw/zinc/01/75/59/605017559.db2.gz	JLJXHNOMARKPTM-WCQYABFASA-N	-1	0	262.305	2.753	20	30		CFEDRM
C#CCCCCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1	ZINC000833362896	605018834	/nfs/dbraw/zinc/01/88/34/605018834.db2.gz	PWCVXGVFWQBRKO-SNVBAGLBSA-N	-1	0	264.277	2.776	20	30		CFEDRM
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)cc1C#N	ZINC000126200068	605067800	/nfs/dbraw/zinc/06/78/00/605067800.db2.gz	NNCLFSJEICUYBP-UHFFFAOYSA-N	-1	0	278.283	2.527	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccsc1C(=O)[O-]	ZINC000833369422	605120752	/nfs/dbraw/zinc/12/07/52/605120752.db2.gz	XITWVXKFPQPICB-UHFFFAOYSA-N	-1	0	268.338	2.876	20	30		CFEDRM
C=CCOc1cccnc1C(=O)Oc1cccc(C(=O)[O-])c1	ZINC000833378102	605144572	/nfs/dbraw/zinc/14/45/72/605144572.db2.gz	JGRIWAUZDCHOJI-UHFFFAOYSA-N	-1	0	299.282	2.564	20	30		CFEDRM
C=CCCCCCN(C)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC000833374348	605176308	/nfs/dbraw/zinc/17/63/08/605176308.db2.gz	YFVXIDQDPAUQMC-UHFFFAOYSA-N	-1	0	291.351	2.990	20	30		CFEDRM
CC(C)CN(CCC#N)CCOc1ccccc1C(=O)[O-]	ZINC000043416897	605209987	/nfs/dbraw/zinc/20/99/87/605209987.db2.gz	PVLLSWOLJBKLGQ-UHFFFAOYSA-N	-1	0	290.363	2.635	20	30		CFEDRM
Cc1ccc(N=NC(C)c2ccccc2OCC(=O)[O-])nc1	ZINC000833387261	605330241	/nfs/dbraw/zinc/33/02/41/605330241.db2.gz	YRVXBBPLIJUXES-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)Nc2ccccc2C(=O)[O-])C1	ZINC000833551894	605339844	/nfs/dbraw/zinc/33/98/44/605339844.db2.gz	UTTLEVXVKNNABS-OAHLLOKOSA-N	-1	0	287.319	2.542	20	30		CFEDRM
O=C([O-])N1CCC[C@H](CN=Nc2cc(Cl)ccn2)C1	ZINC000834097982	605389277	/nfs/dbraw/zinc/38/92/77/605389277.db2.gz	FVIPRBFJDOOBEB-SECBINFHSA-N	-1	0	282.731	2.523	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000135312636	605396684	/nfs/dbraw/zinc/39/66/84/605396684.db2.gz	OQRMZAPHBVFFET-UHFFFAOYSA-N	-1	0	262.309	2.733	20	30		CFEDRM
C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@](C)(C#N)C1	ZINC000833547466	605419217	/nfs/dbraw/zinc/41/92/17/605419217.db2.gz	STDBMNYALXAOCK-QMTHXVAHSA-N	-1	0	262.309	2.664	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(C)c1	ZINC000042344471	620684524	/nfs/dbraw/zinc/68/45/24/620684524.db2.gz	RLJUFQATCOGBRW-UHFFFAOYSA-N	-1	0	269.366	2.738	20	30		CFEDRM
CCC(CC)NN=C(C)C[C@@H]1CCCN1C(=O)[O-]	ZINC000826575645	605467177	/nfs/dbraw/zinc/46/71/77/605467177.db2.gz	KZHPFFZTQIOJBD-LBPRGKRZSA-N	-1	0	255.362	2.673	20	30		CFEDRM
CC#CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833380516	605516460	/nfs/dbraw/zinc/51/64/60/605516460.db2.gz	IIYPMHPUILJZBM-VURMDHGXSA-N	-1	0	274.276	2.518	20	30		CFEDRM
N#Cc1cccc(CNc2ccc(NC(=O)[O-])nc2)c1	ZINC000831145906	605521095	/nfs/dbraw/zinc/52/10/95/605521095.db2.gz	DXTGHMQMRXYKEC-UHFFFAOYSA-N	-1	0	268.276	2.655	20	30		CFEDRM
C#CCCCCCOC(=O)c1ccc(C(=O)[O-])cc1	ZINC000833361753	605521358	/nfs/dbraw/zinc/52/13/58/605521358.db2.gz	KBGVOXPVMGWSOF-UHFFFAOYSA-N	-1	0	260.289	2.735	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823500601	605589417	/nfs/dbraw/zinc/58/94/17/605589417.db2.gz	IBRCZWDGKXSOER-UHFFFAOYSA-N	-1	0	274.320	2.899	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cnc(C)s1	ZINC000761251083	605593665	/nfs/dbraw/zinc/59/36/65/605593665.db2.gz	DAFHOKMIPRBYJG-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
C#CCCCCCC(=O)Nc1sccc1C(=O)[O-]	ZINC000833361826	605600591	/nfs/dbraw/zinc/60/05/91/605600591.db2.gz	NTIAAMVKQSMOJN-UHFFFAOYSA-N	-1	0	265.334	2.969	20	30		CFEDRM
C#CCCCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1	ZINC000833361561	605614932	/nfs/dbraw/zinc/61/49/32/605614932.db2.gz	AQLQUSXSTBOXAD-UHFFFAOYSA-N	-1	0	299.370	2.853	20	30		CFEDRM
C#CCCCCCC(=O)Nc1nc(CC)c(C(=O)[O-])s1	ZINC000833361806	605628297	/nfs/dbraw/zinc/62/82/97/605628297.db2.gz	MTJNKUJTJYIFMI-UHFFFAOYSA-N	-1	0	294.376	2.926	20	30		CFEDRM
C#CCCCCCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-]	ZINC000833361601	605628300	/nfs/dbraw/zinc/62/83/00/605628300.db2.gz	CPUGLZIVCWRWQV-CZUORRHYSA-N	-1	0	279.380	2.720	20	30		CFEDRM
N#Cc1cccc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1	ZINC000833976408	605708661	/nfs/dbraw/zinc/70/86/61/605708661.db2.gz	LZBUYAUCTCATRZ-AGUYFDCRSA-N	-1	0	271.320	2.644	20	30		CFEDRM
O=C([O-])N1CC(C/N=C/c2c(O)ccc3ccccc32)C1	ZINC000834068428	605721160	/nfs/dbraw/zinc/72/11/60/605721160.db2.gz	VUNXSTZPJXKCBX-CAOOACKPSA-N	-1	0	284.315	2.574	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1NCC1CN(C(=O)[O-])C1	ZINC000833970988	605730369	/nfs/dbraw/zinc/73/03/69/605730369.db2.gz	ZXZVYQFOODJLDV-UHFFFAOYSA-N	-1	0	299.252	2.599	20	30		CFEDRM
C=CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)C1CC1	ZINC000833788401	605785991	/nfs/dbraw/zinc/78/59/91/605785991.db2.gz	XXLBMUPMYUNMBD-UHFFFAOYSA-N	-1	0	274.320	2.876	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCC1N=Nc1cccc2ncccc12	ZINC000834170858	605859398	/nfs/dbraw/zinc/85/93/98/605859398.db2.gz	WDASTCUKIZPIRK-CYBMUJFWSA-N	-1	0	284.319	2.823	20	30		CFEDRM
Cc1cc(C(=O)N[C@](C)(C#N)C(C)C)ccc1NC(=O)[O-]	ZINC000829934503	605876618	/nfs/dbraw/zinc/87/66/18/605876618.db2.gz	MUSFGOXTFUTZND-OAHLLOKOSA-N	-1	0	289.335	2.753	20	30		CFEDRM
N#CC1(CN2CCCN(C(=O)[O-])c3ccccc32)CC1	ZINC000833964863	606004225	/nfs/dbraw/zinc/00/42/25/606004225.db2.gz	RYPICVNRJZANNK-UHFFFAOYSA-N	-1	0	271.320	2.685	20	30		CFEDRM
N#CCC[C@@H](C#N)COc1ccc(NC(=O)[O-])cc1	ZINC000833967968	606037965	/nfs/dbraw/zinc/03/79/65/606037965.db2.gz	IPWCZXJAQLUJOP-JTQLQIEISA-N	-1	0	259.265	2.599	20	30		CFEDRM
N#Cc1cccc(Nc2ccc3c(c2)CCN3C(=O)[O-])n1	ZINC000833977213	606062790	/nfs/dbraw/zinc/06/27/90/606062790.db2.gz	WPMUNRFRVCRTBE-UHFFFAOYSA-N	-1	0	280.287	2.737	20	30		CFEDRM
O=C([O-])N[C@H]1CCCCCC1=NOCC(F)(F)F	ZINC000834187379	606080989	/nfs/dbraw/zinc/08/09/89/606080989.db2.gz	XVIMMZATRVTJKB-ZETCQYMHSA-N	-1	0	268.235	2.522	20	30		CFEDRM
CCC[C@@H](C)CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1	ZINC000825232385	607886673	/nfs/dbraw/zinc/88/66/73/607886673.db2.gz	GPOOJEXNIRASRR-SECBINFHSA-N	-1	0	291.359	2.812	20	30		CFEDRM
O=C([O-])c1ccc(C=NOC2CCC2)c(Cl)c1	ZINC000812236631	617748505	/nfs/dbraw/zinc/74/85/05/617748505.db2.gz	OZAYKYIPZSZZLG-UHFFFAOYSA-N	-1	0	253.685	2.941	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2cc(O)ccc2O)cc1	ZINC000255084654	617954318	/nfs/dbraw/zinc/95/43/18/617954318.db2.gz	VVGOORZLIISLSV-YWEYNIOJSA-N	-1	0	298.294	2.781	20	30		CFEDRM
N#Cc1cnn(-c2ccccc2)c1NCCCCCC(=O)[O-]	ZINC000900951774	620732075	/nfs/dbraw/zinc/73/20/75/620732075.db2.gz	XELFATPBFLYZBT-UHFFFAOYSA-N	-1	0	298.346	2.801	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)c(C(=O)[O-])s1	ZINC000900940511	620733992	/nfs/dbraw/zinc/73/39/92/620733992.db2.gz	JHRQRLZWCRCNRB-UWVGGRQHSA-N	-1	0	282.365	2.543	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1F	ZINC000049417826	617604039	/nfs/dbraw/zinc/60/40/39/617604039.db2.gz	FQZPXKHIKXMNIU-BQYQJAHWSA-N	-1	0	271.313	2.534	20	30		CFEDRM
N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000900977455	620736240	/nfs/dbraw/zinc/73/62/40/620736240.db2.gz	UYWHWJUKNAMGGL-BDAKNGLRSA-N	-1	0	299.252	2.637	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000890553652	617644855	/nfs/dbraw/zinc/64/48/55/617644855.db2.gz	XSWXHPSLAXYNPD-SNVBAGLBSA-N	-1	0	274.345	2.907	20	30		CFEDRM
C=CC[C@@H]1CCN1C(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000890552673	617646569	/nfs/dbraw/zinc/64/65/69/617646569.db2.gz	QLVNBXYZXLAJSR-SECBINFHSA-N	-1	0	269.703	2.975	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2ccc(Cl)s2)C(=O)O1	ZINC000254966743	617699977	/nfs/dbraw/zinc/69/99/77/617699977.db2.gz	YMPYRWZEGLTCQB-QQHVMHFCSA-N	-1	0	296.731	2.630	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)CC1CCC1	ZINC000164927649	617729181	/nfs/dbraw/zinc/72/91/81/617729181.db2.gz	WWCQGRGCSXQWNL-UHFFFAOYSA-N	-1	0	275.414	2.593	20	30		CFEDRM
Cn1cc(C(=O)[O-])c(-c2ccc(C3CC3)c(C#N)c2)n1	ZINC000901080479	620750447	/nfs/dbraw/zinc/75/04/47/620750447.db2.gz	UWTVZGGKXSNTPP-UHFFFAOYSA-N	-1	0	267.288	2.534	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])cc3)C2)CO1	ZINC000901117845	620752757	/nfs/dbraw/zinc/75/27/57/620752757.db2.gz	DNXJKRGBSSSOGX-MYHCZTBNSA-N	-1	0	274.320	2.742	20	30		CFEDRM
CS[C@H]1CCCC(=NNc2cnnc([O-])c2Cl)C1	ZINC000901165358	620760323	/nfs/dbraw/zinc/76/03/23/620760323.db2.gz	XHSYRXDJPMMKFM-QMMMGPOBSA-N	-1	0	286.788	2.909	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)cc1	ZINC000002709243	617902411	/nfs/dbraw/zinc/90/24/11/617902411.db2.gz	FMVUBEARDNVFLN-UHFFFAOYSA-N	-1	0	293.319	2.828	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000255117918	617967135	/nfs/dbraw/zinc/96/71/35/617967135.db2.gz	JHHXPDMKGJPGMY-DAXSKMNVSA-N	-1	0	274.295	2.723	20	30		CFEDRM
CCO[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)[C@@H]1SC	ZINC000807938740	617989770	/nfs/dbraw/zinc/98/97/70/617989770.db2.gz	HLJYIGJNDARUSZ-STQMWFEESA-N	-1	0	294.376	2.693	20	30		CFEDRM
C[C@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])cc3F)C2)CO1	ZINC000901249169	620771851	/nfs/dbraw/zinc/77/18/51/620771851.db2.gz	SNERZHCELSMHOK-HJULIUOESA-N	-1	0	292.310	2.881	20	30		CFEDRM
O=C(/C=C\c1csc([N+](=O)[O-])c1)c1ccc(O)cc1[O-]	ZINC000255516265	618066304	/nfs/dbraw/zinc/06/63/04/618066304.db2.gz	YPYNRIDRZVKJGG-RJRFIUFISA-N	-1	0	291.284	2.964	20	30		CFEDRM
O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000048453829	618071769	/nfs/dbraw/zinc/07/17/69/618071769.db2.gz	MZWGQDUIMXLXAU-UHFFFAOYSA-N	-1	0	297.307	2.697	20	30		CFEDRM
Cc1nc(NC2CCC(C(=O)[O-])CC2)c(Cl)cc1C#N	ZINC000261721590	618102256	/nfs/dbraw/zinc/10/22/56/618102256.db2.gz	KHSPBSBGDFLIHW-UHFFFAOYSA-N	-1	0	293.754	2.970	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(COC)c1	ZINC000073837906	618120997	/nfs/dbraw/zinc/12/09/97/618120997.db2.gz	FAPCKANPWXIXSJ-UHFFFAOYSA-N	-1	0	299.392	2.656	20	30		CFEDRM
O=C1c2ccc(O)cc2O/C1=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000255564115	618123455	/nfs/dbraw/zinc/12/34/55/618123455.db2.gz	FPCQSDYPOXGHSA-MKMNVTDBSA-N	-1	0	299.238	2.622	20	30		CFEDRM
CC(C)COCCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000058079714	618125775	/nfs/dbraw/zinc/12/57/75/618125775.db2.gz	QOFXQDMFCVJQIN-UHFFFAOYSA-N	-1	0	291.413	2.668	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2cccs2)c1	ZINC000176816976	618205362	/nfs/dbraw/zinc/20/53/62/618205362.db2.gz	WMEZSMTUEFNIHB-UHFFFAOYSA-N	-1	0	272.329	2.897	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2ccccc2)c1	ZINC000176824093	618207190	/nfs/dbraw/zinc/20/71/90/618207190.db2.gz	DFKATYSLYABQGL-UHFFFAOYSA-N	-1	0	266.300	2.835	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC2CCC(F)(F)CC2)cc1O	ZINC000901343100	620789754	/nfs/dbraw/zinc/78/97/54/620789754.db2.gz	WGAHNDJSJPEMOT-UHFFFAOYSA-N	-1	0	298.289	2.592	20	30		CFEDRM
C#CCCCC(=O)N[C@@](C)(CCCCCC)C(=O)[O-]	ZINC000909434812	618258457	/nfs/dbraw/zinc/25/84/57/618258457.db2.gz	WQYGWANYUCQEIT-HNNXBMFYSA-N	-1	0	267.369	2.720	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000909436527	618261636	/nfs/dbraw/zinc/26/16/36/618261636.db2.gz	PIUXTRGPVOPXJY-UHFFFAOYSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)C[C@H](C)C(C)(C)C	ZINC000893306720	618294422	/nfs/dbraw/zinc/29/44/22/618294422.db2.gz	BBIZNSWDPBWGJA-NSHDSACASA-N	-1	0	289.441	2.717	20	30		CFEDRM
N#Cc1cccc(CNC(=O)c2cccc(Cl)c2[O-])c1	ZINC000775657347	618295341	/nfs/dbraw/zinc/29/53/41/618295341.db2.gz	ZWKRNKBINNYNAB-UHFFFAOYSA-N	-1	0	286.718	2.847	20	30		CFEDRM
CCc1nn(C)cc1/C=C\C(=O)c1ccc(OC)cc1[O-]	ZINC000255828348	618324120	/nfs/dbraw/zinc/32/41/20/618324120.db2.gz	OTRXHELUWFKJOD-YVMONPNESA-N	-1	0	286.331	2.593	20	30		CFEDRM
CC(C)CON=Cc1ccc(OCCC(=O)[O-])cc1	ZINC000749632476	618335191	/nfs/dbraw/zinc/33/51/91/618335191.db2.gz	ZGJVPJRUUCNXJM-UHFFFAOYSA-N	-1	0	265.309	2.547	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1	ZINC000092462880	618344096	/nfs/dbraw/zinc/34/40/96/618344096.db2.gz	FZGFLZONMUNJOJ-UHFFFAOYSA-N	-1	0	275.348	2.697	20	30		CFEDRM
C=CC(C)(C)C(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000909463860	618366332	/nfs/dbraw/zinc/36/63/32/618366332.db2.gz	KFFSCHZGMGFVGA-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000909494251	618421271	/nfs/dbraw/zinc/42/12/71/618421271.db2.gz	ORAMIUBJHNQWQS-UHFFFAOYSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC000909494642	618422258	/nfs/dbraw/zinc/42/22/58/618422258.db2.gz	DBTHPWZPMSSIQP-MLGOLLRUSA-N	-1	0	281.396	2.938	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2C)c1	ZINC000046927982	618458179	/nfs/dbraw/zinc/45/81/79/618458179.db2.gz	BGJLFEDCTNTGGZ-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000909506109	618472073	/nfs/dbraw/zinc/47/20/73/618472073.db2.gz	VQUKNMIFGAUEGM-UHFFFAOYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
CO[C@@H](C)CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000726428790	618474402	/nfs/dbraw/zinc/47/44/02/618474402.db2.gz	FJLLQARRKGWQSA-QZNXTOQNSA-N	-1	0	286.715	2.798	20	30		CFEDRM
C#Cc1cccc(N[C@H]2CC[C@@H](C(F)(F)C(=O)[O-])C2)c1	ZINC000901451805	620817308	/nfs/dbraw/zinc/81/73/08/620817308.db2.gz	UDSQOLNLEPACBU-YPMHNXCESA-N	-1	0	279.286	2.968	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC1CC1)C(=O)[O-]	ZINC000310705573	618607059	/nfs/dbraw/zinc/60/70/59/618607059.db2.gz	CMBREACNYOSSIP-LBPRGKRZSA-N	-1	0	255.358	2.716	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)F)c1cccc(Cl)c1Cl	ZINC000194589791	618938277	/nfs/dbraw/zinc/93/82/77/618938277.db2.gz	JFVVPBKVDRCLMH-SSDOTTSWSA-N	-1	0	279.073	2.939	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000909333664	618950654	/nfs/dbraw/zinc/95/06/54/618950654.db2.gz	UECMFFIVHIFFRS-OAHLLOKOSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1	ZINC000909364761	619004627	/nfs/dbraw/zinc/00/46/27/619004627.db2.gz	BSPUBEQIZQSYSI-UHFFFAOYSA-N	-1	0	295.722	2.545	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1C	ZINC000909371162	619015403	/nfs/dbraw/zinc/01/54/03/619015403.db2.gz	FYGALCWBXPDQNA-OAHLLOKOSA-N	-1	0	287.359	2.821	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC(CC)(CC)CC(=O)[O-]	ZINC000909377430	619030466	/nfs/dbraw/zinc/03/04/66/619030466.db2.gz	NDQOYPINJJNXEH-UHFFFAOYSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C#CCC1(C(=O)NCC(CC)(CC)C(=O)[O-])CCCCC1	ZINC000909382407	619038742	/nfs/dbraw/zinc/03/87/42/619038742.db2.gz	JKERSBOECUUOMV-UHFFFAOYSA-N	-1	0	293.407	2.967	20	30		CFEDRM
CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000048519478	619349897	/nfs/dbraw/zinc/34/98/97/619349897.db2.gz	LUWULEWLNAFRRT-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000048519715	619349907	/nfs/dbraw/zinc/34/99/07/619349907.db2.gz	VESCOIXXZKBQQB-UHFFFAOYSA-N	-1	0	267.350	2.621	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)[C@@H]1CC=CCC1	ZINC000048519130	619349934	/nfs/dbraw/zinc/34/99/34/619349934.db2.gz	XHBYWHPZWUCPHS-SNVBAGLBSA-N	-1	0	283.324	2.827	20	30		CFEDRM
CC[C@H](NN=C1C[C@@H](C)c2c1cccc2C)C(=O)[O-]	ZINC000793072594	619506595	/nfs/dbraw/zinc/50/65/95/619506595.db2.gz	NXWHSAKDBDXQAC-PWSUYJOCSA-N	-1	0	260.337	2.659	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(C(F)(F)F)ccc1F)C(=O)[O-]	ZINC000793080454	619507470	/nfs/dbraw/zinc/50/74/70/619507470.db2.gz	ZIDQPQMQVVCSPF-SNVBAGLBSA-N	-1	0	292.232	2.631	20	30		CFEDRM
CC[C@H](C)CON=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000793145990	619518908	/nfs/dbraw/zinc/51/89/08/619518908.db2.gz	NJKRKAUNMODEBU-VIFPVBQESA-N	-1	0	252.270	2.697	20	30		CFEDRM
CC[C@@H](C)CON=C(C)c1cc(C(=O)[O-])ccc1O	ZINC000793158466	619531887	/nfs/dbraw/zinc/53/18/87/619531887.db2.gz	GVUDUBQDZGLLDA-SECBINFHSA-N	-1	0	265.309	2.877	20	30		CFEDRM
C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135728	619535679	/nfs/dbraw/zinc/53/56/79/619535679.db2.gz	TVBNIFLTOOTEEW-HTRCEHHLSA-N	-1	0	291.731	2.780	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000909421350	619535779	/nfs/dbraw/zinc/53/57/79/619535779.db2.gz	KYLPOEJKNDJKGB-NSHDSACASA-N	-1	0	291.372	2.511	20	30		CFEDRM
N#CC[C@H](NCc1ccc(F)c(F)c1[O-])C(F)(F)F	ZINC000896697335	619793115	/nfs/dbraw/zinc/79/31/15/619793115.db2.gz	QUGXVHMCQKWODF-QMMMGPOBSA-N	-1	0	280.196	2.605	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H](CC)c1ccccc1)C(=O)[O-]	ZINC000929025828	620189018	/nfs/dbraw/zinc/18/90/18/620189018.db2.gz	JKHHOTZLQMNUMY-UONOGXRCSA-N	-1	0	290.363	2.856	20	30		CFEDRM
C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000929041641	620196398	/nfs/dbraw/zinc/19/63/98/620196398.db2.gz	AABUXMRBVJXYNE-GXTWGEPZSA-N	-1	0	290.363	2.808	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1	ZINC000898281007	620364334	/nfs/dbraw/zinc/36/43/34/620364334.db2.gz	NOADNVIWAKKGIE-SWLSCSKDSA-N	-1	0	274.364	2.978	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]Oc2ccc(F)cc2)CC12CCCC2	ZINC000898576523	620479477	/nfs/dbraw/zinc/47/94/77/620479477.db2.gz	PLJFEEJCLGPTEC-HNNXBMFYSA-N	-1	0	274.295	2.710	20	30		CFEDRM
Cc1ncc(CO)c(/C=N\[C@H]2CCCC3(CC3)C2)c1O	ZINC000899230164	620533326	/nfs/dbraw/zinc/53/33/26/620533326.db2.gz	FARFNGIFJXSOLY-OCTXWABXSA-N	-1	0	274.364	2.730	20	30		CFEDRM
CC(C)[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC000899233429	620534496	/nfs/dbraw/zinc/53/44/96/620534496.db2.gz	IKBNDCWVMCHXQI-ZJMGYTEZSA-N	-1	0	289.162	2.628	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1cccc(C(=O)[O-])c1	ZINC000899296482	620541348	/nfs/dbraw/zinc/54/13/48/620541348.db2.gz	YAFUCQQVSDNUKV-NSHDSACASA-N	-1	0	261.321	2.603	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O	ZINC000899347361	620547532	/nfs/dbraw/zinc/54/75/32/620547532.db2.gz	REKFETIISDFYQL-LBPRGKRZSA-N	-1	0	296.248	2.947	20	30		CFEDRM
CC1(C)CCC/C(=C\c2cncc(C(=O)[O-])c2)C1=O	ZINC000899363136	620550617	/nfs/dbraw/zinc/55/06/17/620550617.db2.gz	FILSMTXVPVEGQB-IZZDOVSWSA-N	-1	0	259.305	2.942	20	30		CFEDRM
O=C([O-])c1cncc(C(=O)/C=C/c2cnn(C3CCC3)c2)c1	ZINC000899389234	620558054	/nfs/dbraw/zinc/55/80/54/620558054.db2.gz	DQKHNILNMAYDTL-SNAWJCMRSA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1cncc(/C=C\C(=O)c2cnn(C3CCC3)c2)c1	ZINC000899400029	620560482	/nfs/dbraw/zinc/56/04/82/620560482.db2.gz	FOXDWDOQEKFMPF-PLNGDYQASA-N	-1	0	297.314	2.597	20	30		CFEDRM
O=C([O-])c1coc(/C=C\C(=O)c2ccnn2C2CCC2)c1	ZINC000899401171	620560709	/nfs/dbraw/zinc/56/07/09/620560709.db2.gz	RXSABNKZDMOUIH-PLNGDYQASA-N	-1	0	286.287	2.795	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C\c2ccc(C)c(C(=O)[O-])c2)n1	ZINC000899390525	620561364	/nfs/dbraw/zinc/56/13/64/620561364.db2.gz	AVNCHZKGFDNZTQ-FPLPWBNLSA-N	-1	0	299.330	2.509	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1	ZINC000042232254	620572571	/nfs/dbraw/zinc/57/25/71/620572571.db2.gz	CKLGAELAYBWBHV-UHFFFAOYSA-N	-1	0	297.282	2.658	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N(CC(=O)[O-])c1ccccc1	ZINC000899534833	620578621	/nfs/dbraw/zinc/57/86/21/620578621.db2.gz	HVDYBZHQNUJKFL-GFCCVEGCSA-N	-1	0	261.321	2.707	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C2CCC2)cc1	ZINC000042247632	620583839	/nfs/dbraw/zinc/58/38/39/620583839.db2.gz	RLFBDSPXHKUEPU-UHFFFAOYSA-N	-1	0	283.349	2.531	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)s1	ZINC000042250350	620586292	/nfs/dbraw/zinc/58/62/92/620586292.db2.gz	VSPGTTCUDUFELU-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
Cc1cc(C#N)cc(NC(=O)[C@H]2C[C@@]2(C(=O)[O-])C(C)C)c1	ZINC000899787719	620599807	/nfs/dbraw/zinc/59/98/07/620599807.db2.gz	AIRXTSWWDZXLRS-CZUORRHYSA-N	-1	0	286.331	2.552	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(CC#N)c1	ZINC000899787760	620599851	/nfs/dbraw/zinc/59/98/51/620599851.db2.gz	BAHBJYOPZDTQGR-CYBMUJFWSA-N	-1	0	288.347	2.828	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c(Cl)c1	ZINC000899841736	620605382	/nfs/dbraw/zinc/60/53/82/620605382.db2.gz	DPTOHABZMHMMPR-NEPJUHHUSA-N	-1	0	291.734	2.617	20	30		CFEDRM
C#Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1	ZINC000899843125	620605696	/nfs/dbraw/zinc/60/56/96/620605696.db2.gz	OZOGCKGUAMBMSV-WDEREUQCSA-N	-1	0	291.734	2.761	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cc2c(cccc2C)[nH]1	ZINC000901585297	620869979	/nfs/dbraw/zinc/86/99/79/620869979.db2.gz	CTUSWTPMZFFEJT-UHFFFAOYSA-N	-1	0	258.321	2.549	20	30		CFEDRM
C=CCCC1(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CCCC1	ZINC000902048655	620963962	/nfs/dbraw/zinc/96/39/62/620963962.db2.gz	LUWUQNGYQFAWFI-CHWSQXEVSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1cccc2ocnc21	ZINC000903657194	621415138	/nfs/dbraw/zinc/41/51/38/621415138.db2.gz	XWYWPSGLYAKDRK-UHFFFAOYSA-N	-1	0	266.322	2.536	20	30		CFEDRM
N#Cc1cccc2c1CN(CCC1(C(=O)[O-])CCC1)C2	ZINC000903703261	621422249	/nfs/dbraw/zinc/42/22/49/621422249.db2.gz	WXHVDBNFXQBSAB-UHFFFAOYSA-N	-1	0	270.332	2.519	20	30		CFEDRM
C=CCN(C)Cc1cc(C(=O)[O-])ccc1Br	ZINC000903886279	621464550	/nfs/dbraw/zinc/46/45/50/621464550.db2.gz	CMJUGKALYAZWAK-UHFFFAOYSA-N	-1	0	284.153	2.765	20	30		CFEDRM
C=C(Br)CN(C)c1cccc(CC(=O)[O-])c1	ZINC000903953006	621489048	/nfs/dbraw/zinc/48/90/48/621489048.db2.gz	ZVIOOBFDQYPDPM-UHFFFAOYSA-N	-1	0	284.153	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1csc(C)c1)C(=O)[O-]	ZINC000905053476	621686615	/nfs/dbraw/zinc/68/66/15/621686615.db2.gz	JDIQVRDGEAPPCS-LLVKDONJSA-N	-1	0	282.365	2.988	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000905053395	621686865	/nfs/dbraw/zinc/68/68/65/621686865.db2.gz	GEAFRCCZRUEZCL-JTQLQIEISA-N	-1	0	282.365	2.988	20	30		CFEDRM
C=CCOCCCC(=O)Nc1c(C)cccc1C(=O)[O-]	ZINC000905267865	621731026	/nfs/dbraw/zinc/73/10/26/621731026.db2.gz	CSQOPCJFIJKUCV-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
N#C[C@]1(C(=O)[N-]OCc2ccccc2)CC2CCC1CC2	ZINC000905353578	621748694	/nfs/dbraw/zinc/74/86/94/621748694.db2.gz	IMLILMIQMTTXKN-PUJMQQBBSA-N	-1	0	284.359	2.954	20	30		CFEDRM
C=C(Cl)CN(C)[C@H](C(=O)[O-])c1cccc(OC)c1	ZINC000905369997	621755037	/nfs/dbraw/zinc/75/50/37/621755037.db2.gz	FTVSNLTVGAQGSJ-LBPRGKRZSA-N	-1	0	269.728	2.505	20	30		CFEDRM
CC(C)(C)CCNN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905460457	621777964	/nfs/dbraw/zinc/77/79/64/621777964.db2.gz	OLMCPGVTKFPEFZ-UHFFFAOYSA-N	-1	0	283.759	2.793	20	30		CFEDRM
C[C@@H](NN=Cc1cc(Cl)ncc1C(=O)[O-])C(C)(C)C	ZINC000905470047	621781428	/nfs/dbraw/zinc/78/14/28/621781428.db2.gz	MGYCKLHGEDMMHP-MRVPVSSYSA-N	-1	0	283.759	2.791	20	30		CFEDRM
CC(C)n1cc(-c2ccsc2C#N)c(C(=O)[O-])n1	ZINC000906242695	621964273	/nfs/dbraw/zinc/96/42/73/621964273.db2.gz	LEFHJRBZKVMRAQ-UHFFFAOYSA-N	-1	0	261.306	2.762	20	30		CFEDRM
CCn1nc(C2CC2)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000907144706	622090643	/nfs/dbraw/zinc/09/06/43/622090643.db2.gz	KLEZLZQBIVLDAR-UHFFFAOYSA-N	-1	0	296.330	2.610	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1	ZINC000907548682	622135485	/nfs/dbraw/zinc/13/54/85/622135485.db2.gz	BEXJAIRWIJUJBY-QWRGUYRKSA-N	-1	0	281.377	2.982	20	30		CFEDRM
C=CC1(CC(=O)N(CC(=O)[O-])C2CC2)CCCCC1	ZINC000907573151	622137543	/nfs/dbraw/zinc/13/75/43/622137543.db2.gz	DYKZTENBRJFRBA-UHFFFAOYSA-N	-1	0	265.353	2.589	20	30		CFEDRM
C=CC1(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)CCCCC1	ZINC000907609612	622138560	/nfs/dbraw/zinc/13/85/60/622138560.db2.gz	RMBFCZLCCWLUSI-HNNXBMFYSA-N	-1	0	297.420	2.590	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-]	ZINC000907579191	622139159	/nfs/dbraw/zinc/13/91/59/622139159.db2.gz	OAVBNYBANGNEDN-WBMJQRKESA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CC1(CC(=O)N[C@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000907585040	622139881	/nfs/dbraw/zinc/13/98/81/622139881.db2.gz	NQSBFSAZOVAYNT-CYBMUJFWSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000907593535	622140698	/nfs/dbraw/zinc/14/06/98/622140698.db2.gz	QNQXYDKIPJODNL-UKRRQHHQSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CC1(CC(=O)N[C@@H](C)CCC(=O)[O-])CCCCC1	ZINC000907623243	622142781	/nfs/dbraw/zinc/14/27/81/622142781.db2.gz	GWTBZKWDEVFDNF-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC1CCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1	ZINC000907638652	622145230	/nfs/dbraw/zinc/14/52/30/622145230.db2.gz	BDEJFELPTNJHIN-QAPCUYQASA-N	-1	0	299.370	2.670	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21	ZINC000907640515	622145322	/nfs/dbraw/zinc/14/53/22/622145322.db2.gz	SIZFRHCZCOYWOS-DGCLKSJQSA-N	-1	0	273.332	2.804	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1	ZINC000907659070	622148596	/nfs/dbraw/zinc/14/85/96/622148596.db2.gz	OSKLZSMBPWSQKQ-SWLSCSKDSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000907744100	622155642	/nfs/dbraw/zinc/15/56/42/622155642.db2.gz	PORVBBJJAGKMLT-NNYUYHANSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1	ZINC000907732156	622157672	/nfs/dbraw/zinc/15/76/72/622157672.db2.gz	SVNSUALVJPGGSU-DTWKUNHWSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000907732158	622157834	/nfs/dbraw/zinc/15/78/34/622157834.db2.gz	SVNSUALVJPGGSU-RKDXNWHRSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1	ZINC000907761295	622160121	/nfs/dbraw/zinc/16/01/21/622160121.db2.gz	RWVMTDNERAHYFU-GFCCVEGCSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H](C=C)CC)C(=O)[O-]	ZINC000907781032	622162993	/nfs/dbraw/zinc/16/29/93/622162993.db2.gz	MIZIWLWHNDPZST-NWDGAFQWSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1	ZINC000908236280	622206634	/nfs/dbraw/zinc/20/66/34/622206634.db2.gz	GTZGTAWSGHOPGQ-AWEZNQCLSA-N	-1	0	289.375	2.791	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-]	ZINC000908288552	622213279	/nfs/dbraw/zinc/21/32/79/622213279.db2.gz	NEBXODSTJDCGTP-XJKSGUPXSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#CCCCCC(=O)Nc1cccc(C(=O)[O-])c1OC	ZINC000908501061	622236652	/nfs/dbraw/zinc/23/66/52/622236652.db2.gz	KXWPRZFPUWOBKD-UHFFFAOYSA-N	-1	0	275.304	2.526	20	30		CFEDRM
C#CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCCC1	ZINC000908578578	622248313	/nfs/dbraw/zinc/24/83/13/622248313.db2.gz	AWGKCMDIUXAPCF-UHFFFAOYSA-N	-1	0	299.370	2.975	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908604558	622249286	/nfs/dbraw/zinc/24/92/86/622249286.db2.gz	LWESRCOGGDUXKJ-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ncc(C(C)(C)C)s1	ZINC000908667748	622258214	/nfs/dbraw/zinc/25/82/14/622258214.db2.gz	DWLMPGDQPFDUHM-UHFFFAOYSA-N	-1	0	297.380	2.545	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Nc1ncc(CCC)s1)C(=O)[O-]	ZINC000908673281	622262714	/nfs/dbraw/zinc/26/27/14/622262714.db2.gz	IDKRXWBRMCUJJI-SNVBAGLBSA-N	-1	0	297.380	2.637	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1nc(C2CCC2)cs1	ZINC000908678348	622263808	/nfs/dbraw/zinc/26/38/08/622263808.db2.gz	IJCWGJSISXHTLU-UHFFFAOYSA-N	-1	0	295.364	2.515	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H](C(=O)[O-])C(C)C	ZINC000908704465	622266180	/nfs/dbraw/zinc/26/61/80/622266180.db2.gz	FTCAVHXEERKZCF-GFCCVEGCSA-N	-1	0	281.377	2.620	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000908896544	622285266	/nfs/dbraw/zinc/28/52/66/622285266.db2.gz	VWJYFFCNHYQMKW-AWEZNQCLSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1	ZINC000909109628	622318556	/nfs/dbraw/zinc/31/85/56/622318556.db2.gz	PYBOOZGCFDCXND-UHFFFAOYSA-N	-1	0	263.268	2.819	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000909184957	622323337	/nfs/dbraw/zinc/32/33/37/622323337.db2.gz	JCJUSYRCEHUOOW-AWEZNQCLSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C1CC(C)(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)C1	ZINC000909249581	622332310	/nfs/dbraw/zinc/33/23/10/622332310.db2.gz	IJNMHYVFNNHZIG-AWEZNQCLSA-N	-1	0	287.359	2.636	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1	ZINC000909255157	622333015	/nfs/dbraw/zinc/33/30/15/622333015.db2.gz	MVRYGPHSOUQIAG-CQSZACIVSA-N	-1	0	289.375	2.882	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1	ZINC000909293538	622335897	/nfs/dbraw/zinc/33/58/97/622335897.db2.gz	AIEGIQDTMUTENM-CYBMUJFWSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@](C)(CC(=O)[O-])C(C)C	ZINC000909684279	622340648	/nfs/dbraw/zinc/34/06/48/622340648.db2.gz	FXGIQIPWBBONCQ-CQSZACIVSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000909714704	622344368	/nfs/dbraw/zinc/34/43/68/622344368.db2.gz	ZSEHBJSIMKSJTI-MCIGGMRASA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1	ZINC000909739796	622349690	/nfs/dbraw/zinc/34/96/90/622349690.db2.gz	IDZFXBMQURIYFJ-HUUCEWRRSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1	ZINC000909855563	622357948	/nfs/dbraw/zinc/35/79/48/622357948.db2.gz	HLOWFICIMQVXAO-SFHVURJKSA-N	-1	0	299.370	2.598	20	30		CFEDRM
C=CCOCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1	ZINC000909845268	622360458	/nfs/dbraw/zinc/36/04/58/622360458.db2.gz	RVMSNLXJVSXJNH-CQSZACIVSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000909864709	622360677	/nfs/dbraw/zinc/36/06/77/622360677.db2.gz	FRWSGIFNYGEXAL-UHFFFAOYSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCCCCCNC(=O)c1oc(C(=O)[O-])cc1C	ZINC000909916330	622366696	/nfs/dbraw/zinc/36/66/96/622366696.db2.gz	LFEWZUSAOTWTOR-UHFFFAOYSA-N	-1	0	265.309	2.762	20	30		CFEDRM
C=CCCCCCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000909917076	622366743	/nfs/dbraw/zinc/36/67/43/622366743.db2.gz	WYTUZUJWWTWOLH-UHFFFAOYSA-N	-1	0	279.380	2.884	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)c2cc(C(=O)[O-])on2)CCCC1(C)C	ZINC000910024743	622387581	/nfs/dbraw/zinc/38/75/81/622387581.db2.gz	ZKBJDDFEKWAAFG-LBPRGKRZSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)N1CCC[C@]1(CCC)C(=O)[O-])OCC	ZINC000910112900	622406417	/nfs/dbraw/zinc/40/64/17/622406417.db2.gz	BRRWQOOTISMUFH-CZUORRHYSA-N	-1	0	297.395	2.604	20	30		CFEDRM
C=CCN(C(=O)[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000910244217	622417847	/nfs/dbraw/zinc/41/78/47/622417847.db2.gz	DGOPYSIELHHWQT-CYBMUJFWSA-N	-1	0	261.321	2.562	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC[C@H](C)CC)C(=O)[O-]	ZINC000910265561	622421136	/nfs/dbraw/zinc/42/11/36/622421136.db2.gz	HOWPGYWHNMGQSJ-PSASIEDQSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)Cc1cccc(C)c1Cl)C(=O)[O-]	ZINC000910293340	622430405	/nfs/dbraw/zinc/43/04/05/622430405.db2.gz	WPLWXNROGNUSBV-GFCCVEGCSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910296077	622431443	/nfs/dbraw/zinc/43/14/43/622431443.db2.gz	ZYIQDMQJDCKSKZ-TZMCWYRMSA-N	-1	0	275.348	2.634	20	30		CFEDRM
CCC[C@H](CNc1ccc(Cl)c(C#N)n1)C(=O)[O-]	ZINC000910466151	622448659	/nfs/dbraw/zinc/44/86/59/622448659.db2.gz	QQKUSCLOMNSBMC-MRVPVSSYSA-N	-1	0	267.716	2.519	20	30		CFEDRM
C=CC[C@@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1	ZINC000910809854	622477652	/nfs/dbraw/zinc/47/76/52/622477652.db2.gz	OTQVVSNTFIIPMF-PESDSKBTSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)[C@H](C)CC)C(=O)[O-]	ZINC000910912869	622485686	/nfs/dbraw/zinc/48/56/86/622485686.db2.gz	PLWPTWUVSVXLNO-UTUOFQBUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C=C1CCCCC1)C(=O)[O-]	ZINC000910914689	622486050	/nfs/dbraw/zinc/48/60/50/622486050.db2.gz	MUVJHLBZHMUXFK-CYBMUJFWSA-N	-1	0	265.353	2.803	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)cs1)C(=O)[O-]	ZINC000910914823	622486293	/nfs/dbraw/zinc/48/62/93/622486293.db2.gz	LAROHHQBLXKAKT-JTQLQIEISA-N	-1	0	267.350	2.596	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-]	ZINC000910915457	622486367	/nfs/dbraw/zinc/48/63/67/622486367.db2.gz	MCXOGOKAOYEVEK-CQSZACIVSA-N	-1	0	286.331	2.707	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCC(C)(C)C)C(=O)[O-]	ZINC000910914961	622486789	/nfs/dbraw/zinc/48/67/89/622486789.db2.gz	QSIURUABYOKJLO-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@](C)(C=C)CC)C(=O)[O-]	ZINC000910917489	622486792	/nfs/dbraw/zinc/48/67/92/622486792.db2.gz	RFYJMMGHJIKMIE-RISCZKNCSA-N	-1	0	253.342	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C(C)=C(/C)CC)C(=O)[O-]	ZINC000910916714	622486814	/nfs/dbraw/zinc/48/68/14/622486814.db2.gz	IOVOIRFPIRTJLH-WEHUKYGOSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cc(C)ccc1C)C(=O)[O-]	ZINC000910918934	622487089	/nfs/dbraw/zinc/48/70/89/622487089.db2.gz	QRJRRYFFJPRBAO-CQSZACIVSA-N	-1	0	275.348	2.843	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1cccc(OC)c1C)C(=O)[O-]	ZINC000910922893	622487817	/nfs/dbraw/zinc/48/78/17/622487817.db2.gz	OJWSXZCAHGRHBI-CYBMUJFWSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(COC)CCCCC1)C(=O)[O-]	ZINC000910922826	622487881	/nfs/dbraw/zinc/48/78/81/622487881.db2.gz	MXPAKDVZAXHADE-ZDUSSCGKSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C)C(=O)[O-]	ZINC000910923633	622488388	/nfs/dbraw/zinc/48/83/88/622488388.db2.gz	USATYDKDWONBFW-JHJVBQTASA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc[nH]c1CCC)C(=O)[O-]	ZINC000910927035	622488934	/nfs/dbraw/zinc/48/89/34/622488934.db2.gz	WMNAYGKRYWNQBW-ZDUSSCGKSA-N	-1	0	278.352	2.507	20	30		CFEDRM
C#CCCCCC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910971774	622493245	/nfs/dbraw/zinc/49/32/45/622493245.db2.gz	RJLPBOMRACZETK-UHFFFAOYSA-N	-1	0	273.332	2.931	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000911465401	622521923	/nfs/dbraw/zinc/52/19/23/622521923.db2.gz	XUEZPYCECYTLPO-AWEZNQCLSA-N	-1	0	263.293	2.631	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000819935862	622576533	/nfs/dbraw/zinc/57/65/33/622576533.db2.gz	NZRAQFUPDJNSER-ZHACJKMWSA-N	-1	0	293.388	2.706	20	30		CFEDRM
Cc1cc[nH]c2nc(C(C#N)=C([O-])C(F)=C3CCC3)nc1-2	ZINC000820118940	622613489	/nfs/dbraw/zinc/61/34/89/622613489.db2.gz	WGBLZXZHOXPFRY-JTQLQIEISA-N	-1	0	284.294	2.850	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(F)cc2[O-])cn1	ZINC000156716340	622962106	/nfs/dbraw/zinc/96/21/06/622962106.db2.gz	SUDLBLKEVSWVMO-ZZXKWVIFSA-N	-1	0	260.268	2.644	20	30		CFEDRM
CC[C@H](CNc1cccc(Cl)c1C#N)C(=O)[O-]	ZINC000087509405	623170605	/nfs/dbraw/zinc/17/06/05/623170605.db2.gz	SRVJLGQMMAVOHC-MRVPVSSYSA-N	-1	0	252.701	2.734	20	30		CFEDRM
CC(C)CS(=O)(=O)[N-]C(=O)CCC(=O)c1ccccc1	ZINC000076910398	623347769	/nfs/dbraw/zinc/34/77/69/623347769.db2.gz	RQYSWXLCHXVITO-UHFFFAOYSA-N	-1	0	297.376	2.592	20	30		CFEDRM
CCCCCCCCOCC(=O)N1CC[C@@](C)(C(=O)[O-])C1	ZINC000823840837	623403979	/nfs/dbraw/zinc/40/39/79/623403979.db2.gz	BWHBMGBDAFMCHN-MRXNPFEDSA-N	-1	0	299.411	2.687	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)c1cc2c([nH]c1=O)CC[C@@H](CC)C2	ZINC000824033622	623437302	/nfs/dbraw/zinc/43/73/02/623437302.db2.gz	QGDPRXFZUQADLL-WDEREUQCSA-N	-1	0	290.363	2.538	20	30		CFEDRM
CCC[C@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000825044503	623614438	/nfs/dbraw/zinc/61/44/38/623614438.db2.gz	WSCJGNLGLGWCAN-SECBINFHSA-N	-1	0	275.333	2.539	20	30		CFEDRM
C[C@@H]1C(=NNC2CCCCC2)CC[C@H]1CC(=O)[O-]	ZINC000814910048	623646774	/nfs/dbraw/zinc/64/67/74/623646774.db2.gz	PXRYFHNWSCUZBD-QWRGUYRKSA-N	-1	0	252.358	2.786	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NOC[C@@H]1CCOC1	ZINC000788031589	623951182	/nfs/dbraw/zinc/95/11/82/623951182.db2.gz	GAOLJVXYKHHNTJ-MRVPVSSYSA-N	-1	0	273.691	2.572	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccs2)c1	ZINC000035363982	623960333	/nfs/dbraw/zinc/96/03/33/623960333.db2.gz	WBTOTVOPBIRCCQ-NTUHNPAUSA-N	-1	0	262.290	2.981	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000915987783	624205009	/nfs/dbraw/zinc/20/50/09/624205009.db2.gz	KOHOBKNWAGBQKX-HYXAFXHYSA-N	-1	0	290.300	2.961	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(O)ccc1O	ZINC000916240642	624230174	/nfs/dbraw/zinc/23/01/74/624230174.db2.gz	RNAAIDUMRPZATK-UHFFFAOYSA-N	-1	0	286.287	2.632	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccccc2F)c1	ZINC000916255103	624230895	/nfs/dbraw/zinc/23/08/95/624230895.db2.gz	ATNDSYMXDKPYPE-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(F)cc1	ZINC000917555574	624359446	/nfs/dbraw/zinc/35/94/46/624359446.db2.gz	VGKODDOTAMFZLY-UHFFFAOYSA-N	-1	0	284.298	2.718	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OC2CCCCC2)CC12CCCC2	ZINC000829052915	624361260	/nfs/dbraw/zinc/36/12/60/624361260.db2.gz	ONKWRUFWDLQDIK-OAHLLOKOSA-N	-1	0	262.353	2.841	20	30		CFEDRM
CCC[C@@H](C)C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919231867	624538696	/nfs/dbraw/zinc/53/86/96/624538696.db2.gz	ZMQCMKHYQFEPEC-KOLCDFICSA-N	-1	0	294.376	2.607	20	30		CFEDRM
CCC/C=C/C(=O)OCC([O-])=C(C#N)c1nc(C)cs1	ZINC000919241716	624545313	/nfs/dbraw/zinc/54/53/13/624545313.db2.gz	CWTKIEIXVZMMGU-MVIFTORASA-N	-1	0	292.360	2.527	20	30		CFEDRM
CCCCCCCCCCNC(=O)c1cc(=O)n(C)[n-]1	ZINC000829923346	624583256	/nfs/dbraw/zinc/58/32/56/624583256.db2.gz	PSMMLSHZEHIXSC-UHFFFAOYSA-N	-1	0	281.400	2.996	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830323921	624709145	/nfs/dbraw/zinc/70/91/45/624709145.db2.gz	LWEUGEWDHQJHNZ-SNVBAGLBSA-N	-1	0	295.310	2.654	20	30		CFEDRM
CC#CCCCC(=O)Nc1cc(C(C)=O)cc(F)c1[O-]	ZINC000830328439	624710503	/nfs/dbraw/zinc/71/05/03/624710503.db2.gz	QPYMUTCRSQXYFY-UHFFFAOYSA-N	-1	0	277.295	2.866	20	30		CFEDRM
Cc1cc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1	ZINC000920387697	624718044	/nfs/dbraw/zinc/71/80/44/624718044.db2.gz	SXKKQJFLZYWSER-RZNTYIFUSA-N	-1	0	295.682	2.869	20	30		CFEDRM
C#CCCCNC(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000175257076	624940477	/nfs/dbraw/zinc/94/04/77/624940477.db2.gz	XLUOYZMBMBYLAN-UHFFFAOYSA-N	-1	0	272.131	2.842	20	30		CFEDRM
CC(=O)c1ccccc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000179737894	624975883	/nfs/dbraw/zinc/97/58/83/624975883.db2.gz	OTCCHWHCVAVPMR-UHFFFAOYSA-N	-1	0	280.283	2.719	20	30		CFEDRM
Cc1scc(C([O-])=C(C#N)C(=O)NC2CCCC2)c1C	ZINC000180741234	625036898	/nfs/dbraw/zinc/03/68/98/625036898.db2.gz	UZZFGHOTFRPRHV-GFCCVEGCSA-N	-1	0	290.388	2.746	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1cc(F)ccc1C	ZINC000069574868	625163914	/nfs/dbraw/zinc/16/39/14/625163914.db2.gz	ALSOVVMYNFEROU-UHFFFAOYSA-N	-1	0	273.329	2.569	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000069600814	625177237	/nfs/dbraw/zinc/17/72/37/625177237.db2.gz	LOIPZPWBAKMPSZ-UHFFFAOYSA-N	-1	0	293.797	2.738	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000851598241	634449664	/nfs/dbraw/zinc/44/96/64/634449664.db2.gz	PCCWVTGVTHMPLJ-NEPJUHHUSA-N	-1	0	257.374	2.962	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-]	ZINC000851615581	634456599	/nfs/dbraw/zinc/45/65/99/634456599.db2.gz	MWMKTEAHPLZXOQ-MJBXVCDLSA-N	-1	0	299.411	2.731	20	30		CFEDRM
CC(=NNc1nc(C)cc(=O)[nH]1)c1csc(C(C)C)n1	ZINC000768764079	625903771	/nfs/dbraw/zinc/90/37/71/625903771.db2.gz	QBHLTLWFKFOZQM-UHFFFAOYSA-N	-1	0	291.380	2.907	20	30		CFEDRM
CC1(C)COCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000834915990	625921337	/nfs/dbraw/zinc/92/13/37/625921337.db2.gz	SJWUXJFLTPBVEB-UHFFFAOYSA-N	-1	0	282.727	2.863	20	30		CFEDRM
C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(C(=O)[O-])nc2)o1	ZINC000835007432	625954292	/nfs/dbraw/zinc/95/42/92/625954292.db2.gz	TWZSDARZEWTVPV-JOYOIKCWSA-N	-1	0	285.303	2.942	20	30		CFEDRM
CC1(C)CC(N=Nc2ccc(C(=O)[O-])nc2)C(C)(C)O1	ZINC000835006970	625954497	/nfs/dbraw/zinc/95/44/97/625954497.db2.gz	NAXBLXSOXQMARH-UHFFFAOYSA-N	-1	0	277.324	2.525	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@]1(C)CCCO1	ZINC000835008598	625954965	/nfs/dbraw/zinc/95/49/65/625954965.db2.gz	HQSDPHHPMJIYAH-AWEZNQCLSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC[C@@H](C)[C@@H](CN=Nc1ccc(C(=O)[O-])cc1F)OC	ZINC000835008202	625955061	/nfs/dbraw/zinc/95/50/61/625955061.db2.gz	HCBXAWKPELWBSY-NOZJJQNGSA-N	-1	0	282.315	2.983	20	30		CFEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000835008996	625956063	/nfs/dbraw/zinc/95/60/63/625956063.db2.gz	MEKOIOMLZWQTLJ-UHFFFAOYSA-N	-1	0	268.313	2.817	20	30		CFEDRM
O=C([O-])c1ccc(NNC=C2CC2(F)F)cc1F	ZINC000835009726	625956903	/nfs/dbraw/zinc/95/69/03/625956903.db2.gz	ZFVXCGDLTIGUMZ-LURJTMIESA-N	-1	0	258.199	2.577	20	30		CFEDRM
C[C@H]1SCCC1N=Nc1ccc(C(=O)[O-])c(F)c1	ZINC000835009760	625957003	/nfs/dbraw/zinc/95/70/03/625957003.db2.gz	ZKJJQVRPNMZGLI-SSDOTTSWSA-N	-1	0	268.313	2.817	20	30		CFEDRM
C[C@H]1C(=NNCc2ccccc2F)CC[C@H]1CC(=O)[O-]	ZINC000835010877	625958040	/nfs/dbraw/zinc/95/80/40/625958040.db2.gz	JWOOPLFXNVGSGH-MNOVXSKESA-N	-1	0	278.327	2.792	20	30		CFEDRM
COC[C@@H](C)C(C)N=Nc1ccc(C(=O)[O-])cc1F	ZINC000835012738	625958608	/nfs/dbraw/zinc/95/86/08/625958608.db2.gz	TWAZGFDTLQBQPO-MRVPVSSYSA-N	-1	0	268.288	2.594	20	30		CFEDRM
CC1(C)OCC[C@@H]1NN=Cc1cc(Cl)cc(F)c1[O-]	ZINC000835016618	625962411	/nfs/dbraw/zinc/96/24/11/625962411.db2.gz	MDCKKEFTGTUFLT-NSHDSACASA-N	-1	0	286.734	2.676	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)CCOCC)cc1	ZINC000083763142	625996569	/nfs/dbraw/zinc/99/65/69/625996569.db2.gz	INMNOYPVJMZGEY-UHFFFAOYSA-N	-1	0	299.392	2.711	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(F)nc2)c([O-])c1	ZINC000186418482	626059924	/nfs/dbraw/zinc/05/99/24/626059924.db2.gz	ZRELTZPEPNALRJ-QHHAFSJGSA-N	-1	0	273.263	2.831	20	30		CFEDRM
O=C(/C=C/c1ccc(F)nc1)c1ccc(F)cc1[O-]	ZINC000186418975	626060534	/nfs/dbraw/zinc/06/05/34/626060534.db2.gz	VIVHYMVMAALBOK-ORCRQEGFSA-N	-1	0	261.227	2.962	20	30		CFEDRM
Cc1ccccc1OCC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056508	626234536	/nfs/dbraw/zinc/23/45/36/626234536.db2.gz	FMNYOVKXPVNSLS-UHFFFAOYSA-N	-1	0	297.376	2.603	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C	ZINC000073838261	626396214	/nfs/dbraw/zinc/39/62/14/626396214.db2.gz	XPUROXSYIQSSRF-NSHDSACASA-N	-1	0	293.429	2.913	20	30		CFEDRM
N#C[C@@]1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CCCC2	ZINC000923076584	626449296	/nfs/dbraw/zinc/44/92/96/626449296.db2.gz	SGKGTALSKKMYJY-QGZVFWFLSA-N	-1	0	298.342	2.726	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1CC=CCC1)C(=O)[O-]	ZINC000923103746	626450689	/nfs/dbraw/zinc/45/06/89/626450689.db2.gz	HWAVVSODQAPCES-CHWSQXEVSA-N	-1	0	265.353	2.659	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000923104202	626451396	/nfs/dbraw/zinc/45/13/96/626451396.db2.gz	TUKDRZCJIUSITA-BZNIZROVSA-N	-1	0	286.331	2.531	20	30		CFEDRM
C=CCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923179611	626454677	/nfs/dbraw/zinc/45/46/77/626454677.db2.gz	SUPNNRVDBFEUGK-CYBMUJFWSA-N	-1	0	267.369	2.740	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21	ZINC000923204564	626456857	/nfs/dbraw/zinc/45/68/57/626456857.db2.gz	UAESZNFMUBCCQY-QNWHQSFQSA-N	-1	0	267.369	2.572	20	30		CFEDRM
O=C(/C=C/c1ccc(O)c(F)c1)c1ccc(O)cc1[O-]	ZINC000121326104	626487695	/nfs/dbraw/zinc/48/76/95/626487695.db2.gz	VONJGYHXPQHXPQ-ORCRQEGFSA-N	-1	0	274.247	2.839	20	30		CFEDRM
CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000867012145	626536455	/nfs/dbraw/zinc/53/64/55/626536455.db2.gz	BBJFXKLLZNNMDW-GHMZBOCLSA-N	-1	0	258.321	2.885	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2nccs2)c([O-])c1	ZINC000757471377	626553028	/nfs/dbraw/zinc/55/30/28/626553028.db2.gz	CNAUZNOHLWIITM-PLNGDYQASA-N	-1	0	261.302	2.753	20	30		CFEDRM
COc1c(O)cccc1/C=C\C(=O)c1ccc(O)cc1[O-]	ZINC000757473341	626553269	/nfs/dbraw/zinc/55/32/69/626553269.db2.gz	WBEVGALNTLKWRK-YVMONPNESA-N	-1	0	286.283	2.708	20	30		CFEDRM
Cn1nnc2cc(/C=C\C(=O)c3ccc(F)cc3[O-])ccc21	ZINC000757477048	626553326	/nfs/dbraw/zinc/55/33/26/626553326.db2.gz	YJNAEIQDEYHOQP-CLTKARDFSA-N	-1	0	297.289	2.709	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H](C(C)C)[C@H](C)C2)[n-]c1=O	ZINC000758095771	626576064	/nfs/dbraw/zinc/57/60/64/626576064.db2.gz	KZCJNPCZICLPDJ-SKDRFNHKSA-N	-1	0	277.372	2.746	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@H](C(C)C)[C@H](C)C2)[n-]c1=O	ZINC000758095764	626576278	/nfs/dbraw/zinc/57/62/78/626576278.db2.gz	KZCJNPCZICLPDJ-BXKDBHETSA-N	-1	0	277.372	2.746	20	30		CFEDRM
[O-]c1cc(Cl)c(CN=Nc2cnccn2)cc1Cl	ZINC000758098732	626576586	/nfs/dbraw/zinc/57/65/86/626576586.db2.gz	UUVJYMZSSIVPFB-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759089557	626627359	/nfs/dbraw/zinc/62/73/59/626627359.db2.gz	GURJKXBSHGPUMC-GQCTYLIASA-N	-1	0	287.275	2.536	20	30		CFEDRM
O=C(/C=C\c1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759088589	626627833	/nfs/dbraw/zinc/62/78/33/626627833.db2.gz	BYRKYNQIPFAYOH-XQRVVYSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
Cc1ncsc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759091144	626628156	/nfs/dbraw/zinc/62/81/56/626628156.db2.gz	PDFIZTUBINUIBU-SNAWJCMRSA-N	-1	0	290.300	2.961	20	30		CFEDRM
N#CCSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000760344545	626737692	/nfs/dbraw/zinc/73/76/92/626737692.db2.gz	IKYOSPCMVMJPIT-GFCCVEGCSA-N	-1	0	294.339	2.582	20	30		CFEDRM
CCO[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000761573988	626847684	/nfs/dbraw/zinc/84/76/84/626847684.db2.gz	VCWJIINCZFJBAJ-CQSZACIVSA-N	-1	0	276.336	2.654	20	30		CFEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)nc1	ZINC000761790675	626858697	/nfs/dbraw/zinc/85/86/97/626858697.db2.gz	BFDAEUOSSCLKAF-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
C#CCCc1noc(-c2ccc(Br)cc2[O-])n1	ZINC000762009839	626880241	/nfs/dbraw/zinc/88/02/41/626880241.db2.gz	XLQCDRPZFVEZDJ-UHFFFAOYSA-N	-1	0	293.120	2.771	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCCCc1cccs1	ZINC000762066000	626885885	/nfs/dbraw/zinc/88/58/85/626885885.db2.gz	GWMFCLCIOCQEDH-UHFFFAOYSA-N	-1	0	295.404	2.950	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C=C/c1cc(C)c(C)cc1C	ZINC000762065820	626886279	/nfs/dbraw/zinc/88/62/79/626886279.db2.gz	DGECKQBOPXIEEP-VOTSOKGWSA-N	-1	0	287.359	2.724	20	30		CFEDRM
C[C@H]1CC/C(=C/C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000762816901	626940236	/nfs/dbraw/zinc/94/02/36/626940236.db2.gz	DLGITVHLGSOORA-DFYQSJSGSA-N	-1	0	256.305	2.949	20	30		CFEDRM
C[C@@H]1CC/C(=C/C(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000762816913	626940383	/nfs/dbraw/zinc/94/03/83/626940383.db2.gz	DLGITVHLGSOORA-UBYNWHESSA-N	-1	0	256.305	2.949	20	30		CFEDRM
Cc1cccc(CNN=Cc2ccc(OCC(=O)[O-])cc2)c1	ZINC000764715541	627087278	/nfs/dbraw/zinc/08/72/78/627087278.db2.gz	QFDZGRQBWCRNCT-UHFFFAOYSA-N	-1	0	298.342	2.582	20	30		CFEDRM
CC(C)C[C@@H](C#N)NC(=O)C(F)(F)c1ccccc1F	ZINC000765759218	627155924	/nfs/dbraw/zinc/15/59/24/627155924.db2.gz	BYEDYHGIKVIRKC-JTQLQIEISA-N	-1	0	284.281	2.972	20	30		CFEDRM
Cn1nncc1/C=C\C(=O)c1cc(Cl)c(Cl)cc1[O-]	ZINC000766033921	627172671	/nfs/dbraw/zinc/17/26/71/627172671.db2.gz	LGWAXZIUEADSAJ-IHWYPQMZSA-N	-1	0	298.129	2.724	20	30		CFEDRM
N#Cc1cccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000767337175	627243898	/nfs/dbraw/zinc/24/38/98/627243898.db2.gz	ZLMGOIRKIUJWHS-UHFFFAOYSA-N	-1	0	282.259	2.618	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1)c1cncc(C)c1	ZINC000767360662	627245031	/nfs/dbraw/zinc/24/50/31/627245031.db2.gz	VGOADCUUAVTMJP-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cncs1)CC2	ZINC000767720542	627280073	/nfs/dbraw/zinc/28/00/73/627280073.db2.gz	DIXIWVLSUVECIM-YWEYNIOJSA-N	-1	0	289.312	2.955	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])C2=CCOCC2)n1	ZINC000768550202	627353549	/nfs/dbraw/zinc/35/35/49/627353549.db2.gz	BYFVBRCGVRUEPF-NSHDSACASA-N	-1	0	276.361	2.789	20	30		CFEDRM
CC1CC(C#N)(C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1	ZINC000769244949	627414978	/nfs/dbraw/zinc/41/49/78/627414978.db2.gz	UZBCVOAMNZWKFF-UHFFFAOYSA-N	-1	0	287.344	2.995	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C\C(=O)c2ccco2)cc1	ZINC000769772072	627473075	/nfs/dbraw/zinc/47/30/75/627473075.db2.gz	VPWUICUUEXFNER-YVMONPNESA-N	-1	0	272.256	2.639	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C\C(=O)c2ccco2)c1	ZINC000769771628	627473103	/nfs/dbraw/zinc/47/31/03/627473103.db2.gz	RRQAVVSVKVSKDR-SREVYHEPSA-N	-1	0	272.256	2.639	20	30		CFEDRM
O=C([O-])COc1ccc(/C=C/C(=O)c2ccco2)cc1	ZINC000769772069	627473544	/nfs/dbraw/zinc/47/35/44/627473544.db2.gz	VPWUICUUEXFNER-VMPITWQZSA-N	-1	0	272.256	2.639	20	30		CFEDRM
O=c1[n-]c(SCC#Cc2ccc(C(F)(F)F)cc2)n[nH]1	ZINC000772225130	627688252	/nfs/dbraw/zinc/68/82/52/627688252.db2.gz	GKMUDWLUKOWDBL-UHFFFAOYSA-N	-1	0	299.277	2.673	20	30		CFEDRM
COc1cccc(NN=C(C)c2ccc(C(=O)[O-])o2)c1	ZINC000773031667	627772087	/nfs/dbraw/zinc/77/20/87/627772087.db2.gz	BFKFRBSZEGKIFB-UHFFFAOYSA-N	-1	0	274.276	2.823	20	30		CFEDRM
COC(=O)c1coc(C=CC(=O)c2sccc2[O-])c1	ZINC000773142596	627788193	/nfs/dbraw/zinc/78/81/93/627788193.db2.gz	DKICTMROJXTNKW-IHWYPQMZSA-N	-1	0	278.285	2.729	20	30		CFEDRM
COC(=O)c1coc(/C=C/C(=O)c2ccc(C)cc2[O-])c1	ZINC000774136755	627892671	/nfs/dbraw/zinc/89/26/71/627892671.db2.gz	SYJXMTSDIMPQND-GQCTYLIASA-N	-1	0	286.283	2.976	20	30		CFEDRM
CC(C)[C@@H](O)C1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000775631774	628047725	/nfs/dbraw/zinc/04/77/25/628047725.db2.gz	VPWJATFYXDRKAT-UVYNJXETSA-N	-1	0	292.335	2.516	20	30		CFEDRM
CN(C(=O)c1cccc(Cl)c1[O-])C1(C#N)CCC1	ZINC000775672766	628053305	/nfs/dbraw/zinc/05/33/05/628053305.db2.gz	LVDDWWUKELOQGO-UHFFFAOYSA-N	-1	0	264.712	2.564	20	30		CFEDRM
O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccncc2)c1	ZINC000776188683	628114487	/nfs/dbraw/zinc/11/44/87/628114487.db2.gz	ZLTWLEQAUSYANZ-SNAWJCMRSA-N	-1	0	297.310	2.831	20	30		CFEDRM
O=c1ccccn1N=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000776792934	628178825	/nfs/dbraw/zinc/17/88/25/628178825.db2.gz	YPEASQAFEFOBNT-UHFFFAOYSA-N	-1	0	283.114	2.743	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NOC1CCCCC1	ZINC000777457410	628227705	/nfs/dbraw/zinc/22/77/05/628227705.db2.gz	SYLNQWCQPQJBNM-UHFFFAOYSA-N	-1	0	264.281	2.984	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)o1	ZINC000779357663	628376531	/nfs/dbraw/zinc/37/65/31/628376531.db2.gz	BNCBLFLOOWBXGU-XQRVVYSFSA-N	-1	0	272.256	2.888	20	30		CFEDRM
N#Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000779357977	628376672	/nfs/dbraw/zinc/37/66/72/628376672.db2.gz	LWHBWRUVWOMKGM-CLTKARDFSA-N	-1	0	293.278	2.858	20	30		CFEDRM
COc1ccc(NN=C(C)c2ccccc2C(=O)[O-])nc1	ZINC000780267449	628448313	/nfs/dbraw/zinc/44/83/13/628448313.db2.gz	LPCDNAIKPCVUNA-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CCn1cc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cn1	ZINC000782200371	628613663	/nfs/dbraw/zinc/61/36/63/628613663.db2.gz	LQWYPJYFXSHMTD-ONEGZZNKSA-N	-1	0	276.317	2.559	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2ccc3cnccc3c2)nc1	ZINC000782267166	628622031	/nfs/dbraw/zinc/62/20/31/628622031.db2.gz	PGWGDYXVYBOTCW-UHFFFAOYSA-N	-1	0	292.298	2.774	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccccc1OCC(=O)[O-]	ZINC000782301681	628626430	/nfs/dbraw/zinc/62/64/30/628626430.db2.gz	RBVLTXLTMHWYKZ-AWEZNQCLSA-N	-1	0	290.363	2.652	20	30		CFEDRM
CC(C)(C)CCNN=Cc1cccc(OCC(=O)[O-])c1	ZINC000782902522	628662094	/nfs/dbraw/zinc/66/20/94/628662094.db2.gz	CBKHVEBWFSFHEP-UHFFFAOYSA-N	-1	0	278.352	2.510	20	30		CFEDRM
COc1cccc(CC(C)N=Nc2ccccc2C(=O)[O-])n1	ZINC000782900719	628662110	/nfs/dbraw/zinc/66/21/10/628662110.db2.gz	RVSUPWPBJYTEIQ-UHFFFAOYSA-N	-1	0	299.330	2.819	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1	ZINC000783077349	628672994	/nfs/dbraw/zinc/67/29/94/628672994.db2.gz	PHARIARLBXWFMF-ZDUSSCGKSA-N	-1	0	296.326	2.674	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1	ZINC000783345838	628700655	/nfs/dbraw/zinc/70/06/55/628700655.db2.gz	AOAADFKOYMLYEG-AWEZNQCLSA-N	-1	0	299.374	2.588	20	30		CFEDRM
CCCC(=NNc1nnc(C)c(=O)[n-]1)c1ccsc1	ZINC000785449826	628884339	/nfs/dbraw/zinc/88/43/39/628884339.db2.gz	OEHFICWFPZZEBB-UHFFFAOYSA-N	-1	0	277.353	2.563	20	30		CFEDRM
[O-]c1c(F)cc(C=NNC2CCCCC2)cc1F	ZINC000786039553	628932018	/nfs/dbraw/zinc/93/20/18/628932018.db2.gz	FCGWCJAPEHGUGM-UHFFFAOYSA-N	-1	0	254.280	2.927	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNC1CCCCC1	ZINC000786043089	628932736	/nfs/dbraw/zinc/93/27/36/628932736.db2.gz	HQQLSBIFCAGNRF-UHFFFAOYSA-N	-1	0	263.297	2.557	20	30		CFEDRM
N#C[C@]1(F)CCN(Cc2cccc(Br)c2[O-])C1	ZINC000786578669	628969514	/nfs/dbraw/zinc/96/95/14/628969514.db2.gz	HSWQPLHSTKJGIZ-GFCCVEGCSA-N	-1	0	299.143	2.592	20	30		CFEDRM
Cc1ccoc1C([O-])=C(C#N)C(=O)N(C)Cc1ccccc1	ZINC000787069938	628991438	/nfs/dbraw/zinc/99/14/38/628991438.db2.gz	UINTWLRFOOPIKK-CQSZACIVSA-N	-1	0	296.326	2.569	20	30		CFEDRM
CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1ccccc1	ZINC000787072842	628991610	/nfs/dbraw/zinc/99/16/10/628991610.db2.gz	IJROGWDXROATGD-MRXNPFEDSA-N	-1	0	292.338	2.668	20	30		CFEDRM
C#CCCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1	ZINC000788679839	629091286	/nfs/dbraw/zinc/09/12/86/629091286.db2.gz	IACSGPJKKQQCCB-MRXNPFEDSA-N	-1	0	279.380	2.577	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CC(=O)c3ccccc32)c1	ZINC000789831669	629190598	/nfs/dbraw/zinc/19/05/98/629190598.db2.gz	GDSLGRVWSFCNNA-ZDUSSCGKSA-N	-1	0	292.294	2.573	20	30		CFEDRM
Cc1cccnc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000790192893	629218676	/nfs/dbraw/zinc/21/86/76/629218676.db2.gz	JHEYQUUFRCSBQQ-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
Cc1nc2ccc(C(=O)Nc3cc(C#N)ccc3[O-])cc2o1	ZINC000792275788	629416178	/nfs/dbraw/zinc/41/61/78/629416178.db2.gz	KEDVMHPVSMDWPN-UHFFFAOYSA-N	-1	0	293.282	2.966	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(F)(F)F)cc1C)C(=O)[O-]	ZINC000793056636	629480694	/nfs/dbraw/zinc/48/06/94/629480694.db2.gz	JAPHOPDSORZPGH-NSHDSACASA-N	-1	0	288.269	2.801	20	30		CFEDRM
CC[C@H](NN=C1C[C@H](C)CC[C@@H]1C(C)C)C(=O)[O-]	ZINC000793056678	629480900	/nfs/dbraw/zinc/48/09/00/629480900.db2.gz	JPUYVGPIBKGVEZ-UTUOFQBUSA-N	-1	0	254.374	2.887	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000793071303	629482815	/nfs/dbraw/zinc/48/28/15/629482815.db2.gz	HROXXAJGQAXIOJ-NSHDSACASA-N	-1	0	288.269	2.882	20	30		CFEDRM
CC[C@H](NN=C[C@H](C)CCc1ccccc1)C(=O)[O-]	ZINC000793072654	629482932	/nfs/dbraw/zinc/48/29/32/629482932.db2.gz	UGIWJRHXMMAHLS-OCCSQVGLSA-N	-1	0	262.353	2.694	20	30		CFEDRM
CC[C@@H](NN=C(Cc1ccc(C)cc1)C1CC1)C(=O)[O-]	ZINC000793071751	629482983	/nfs/dbraw/zinc/48/29/83/629482983.db2.gz	LQKWUNYGUCYHTC-CQSZACIVSA-N	-1	0	274.364	2.756	20	30		CFEDRM
CC[C@H](NN=C(C)c1oc2ccccc2c1C)C(=O)[O-]	ZINC000793071503	629483002	/nfs/dbraw/zinc/48/30/02/629483002.db2.gz	KFUPYLAAUBELRK-LBPRGKRZSA-N	-1	0	274.320	2.918	20	30		CFEDRM
CCc1cccc2c(C=NN[C@@H](CC)C(=O)[O-])c[nH]c21	ZINC000793072907	629483601	/nfs/dbraw/zinc/48/36/01/629483601.db2.gz	RCOLWNDLBJQJTC-ZDUSSCGKSA-N	-1	0	273.336	2.517	20	30		CFEDRM
CCCc1ccc(C(C)=NN[C@H](CC)C(=O)[O-])cc1	ZINC000793073476	629483725	/nfs/dbraw/zinc/48/37/25/629483725.db2.gz	WBSSWMMXKWQCRF-CQSZACIVSA-N	-1	0	262.353	2.816	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(OC)c2ccccc12)C(=O)[O-]	ZINC000793077873	629484144	/nfs/dbraw/zinc/48/41/44/629484144.db2.gz	JEFQWYDSPGZSFZ-AWEZNQCLSA-N	-1	0	286.331	2.635	20	30		CFEDRM
CC[C@H](NN=C(C)c1coc2ccccc12)C(=O)[O-]	ZINC000793080408	629485049	/nfs/dbraw/zinc/48/50/49/629485049.db2.gz	YDGFBEOSJAMRHO-LBPRGKRZSA-N	-1	0	260.293	2.610	20	30		CFEDRM
CC[C@H](NN=C(C)CCc1cccc(C)c1)C(=O)[O-]	ZINC000793082046	629485826	/nfs/dbraw/zinc/48/58/26/629485826.db2.gz	UGWRJRFBMWUHFQ-AWEZNQCLSA-N	-1	0	262.353	2.756	20	30		CFEDRM
COc1cc(C=NN[C@@H](C)C(C)(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000793113966	629488311	/nfs/dbraw/zinc/48/83/11/629488311.db2.gz	IBMMVLUTMPYRMN-VIFPVBQESA-N	-1	0	295.339	2.667	20	30		CFEDRM
O=[N+]([O-])c1ccc(C=NNc2cccc(Cl)n2)cc1[O-]	ZINC000793176123	629499299	/nfs/dbraw/zinc/49/92/99/629499299.db2.gz	YRAYHRUGWKDTHV-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000835234508	629546576	/nfs/dbraw/zinc/54/65/76/629546576.db2.gz	CFUXLBHXZISPAT-UPJWGTAASA-N	-1	0	287.363	2.528	20	30		CFEDRM
C[C@H]1CSCC1N=Nc1ccccc1C(=O)[O-]	ZINC000794887004	629699849	/nfs/dbraw/zinc/69/98/49/629699849.db2.gz	DPOMXWBTLZWRQT-QMMMGPOBSA-N	-1	0	250.323	2.536	20	30		CFEDRM
CC(C)n1nccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000794935748	629707097	/nfs/dbraw/zinc/70/70/97/629707097.db2.gz	AQXRYMAOKXWQNI-FPLPWBNLSA-N	-1	0	298.342	2.987	20	30		CFEDRM
Cc1cccnc1N=NCc1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000794939426	629707505	/nfs/dbraw/zinc/70/75/05/629707505.db2.gz	IJUIYJLPDXFNPZ-LBPRGKRZSA-N	-1	0	299.330	2.688	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cc(C)cc(C)c1	ZINC000797720460	630097772	/nfs/dbraw/zinc/09/77/72/630097772.db2.gz	IIEIAUAHQVVVIE-ZDUSSCGKSA-N	-1	0	290.363	2.647	20	30		CFEDRM
C#Cc1cccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)c1	ZINC000797736830	630098874	/nfs/dbraw/zinc/09/88/74/630098874.db2.gz	HDQQGHVVSQBMNN-LLVKDONJSA-N	-1	0	286.331	2.527	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1ccc(CC)c(CC)c1	ZINC000797745315	630098957	/nfs/dbraw/zinc/09/89/57/630098957.db2.gz	OCQIUMKWQZOIFL-UHFFFAOYSA-N	-1	0	290.363	2.916	20	30		CFEDRM
C=CC(C)(C)C(=O)[N-]S(=O)(=O)CCC1CCCCC1	ZINC000835941603	630167706	/nfs/dbraw/zinc/16/77/06/630167706.db2.gz	LIBXGQMDZYKTHP-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)CCC1CCCCC1	ZINC000835943350	630169237	/nfs/dbraw/zinc/16/92/37/630169237.db2.gz	NMVLGKLKFJKANH-UHFFFAOYSA-N	-1	0	287.425	2.759	20	30		CFEDRM
COCC[C@@H]1CCCC1N=Nc1cccc(C(=O)[O-])c1	ZINC000799865084	630349576	/nfs/dbraw/zinc/34/95/76/630349576.db2.gz	VYLGWXHORZMCRU-NSHDSACASA-N	-1	0	276.336	2.989	20	30		CFEDRM
O=C([O-])Cn1cc(CN=Nc2ccccn2)c2ccccc21	ZINC000799869341	630349910	/nfs/dbraw/zinc/34/99/10/630349910.db2.gz	RMRJPSKPJSDYGK-UHFFFAOYSA-N	-1	0	294.314	2.567	20	30		CFEDRM
CCC(CC)NN=Cc1cn(CC(=O)[O-])c2ccccc12	ZINC000799880449	630350886	/nfs/dbraw/zinc/35/08/86/630350886.db2.gz	PNFCFDXODYGYPC-UHFFFAOYSA-N	-1	0	287.363	2.838	20	30		CFEDRM
Cn1cnc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c1	ZINC000800794277	630404625	/nfs/dbraw/zinc/40/46/25/630404625.db2.gz	AWAGTLHLRJZGGA-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
C=CCCCOC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000801380034	630443490	/nfs/dbraw/zinc/44/34/90/630443490.db2.gz	QJPJTGKCXWWWBM-UHFFFAOYSA-N	-1	0	290.294	2.840	20	30		CFEDRM
O=C([O-])[C@@H]1C/C(=C/c2cncs2)C(=O)c2ccccc21	ZINC000806561099	630812246	/nfs/dbraw/zinc/81/22/46/630812246.db2.gz	REVJTOLAYUEOMG-WYOARUQKSA-N	-1	0	285.324	2.981	20	30		CFEDRM
Cc1cc(Cl)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000121448655	630859427	/nfs/dbraw/zinc/85/94/27/630859427.db2.gz	BPYLAOGAINTVAN-ZDUSSCGKSA-N	-1	0	290.750	2.593	20	30		CFEDRM
Cc1[nH]c(CN=Nc2nccnc2C2CCC2)cc1C(=O)[O-]	ZINC000807992991	630933016	/nfs/dbraw/zinc/93/30/16/630933016.db2.gz	VQMZALPLFFIBHZ-UHFFFAOYSA-N	-1	0	299.334	2.525	20	30		CFEDRM
CC(N=Nc1nc[nH]n1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000807996503	630935097	/nfs/dbraw/zinc/93/50/97/630935097.db2.gz	WCTFXULHFXCSMT-UHFFFAOYSA-N	-1	0	286.122	2.653	20	30		CFEDRM
CC(C)(C)C#CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000837511431	631051776	/nfs/dbraw/zinc/05/17/76/631051776.db2.gz	QACRJIFTLPCTFA-UHFFFAOYSA-N	-1	0	296.710	2.942	20	30		CFEDRM
N#Cc1ccc(C(=O)/C=C/c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000809156740	631091759	/nfs/dbraw/zinc/09/17/59/631091759.db2.gz	FFHWTBNRFDGECF-GORDUTHDSA-N	-1	0	299.307	2.920	20	30		CFEDRM
O=C(/C=C/c1cnccn1)c1cc(Cl)ccc1[O-]	ZINC000809157662	631091893	/nfs/dbraw/zinc/09/18/93/631091893.db2.gz	MOKUYPSHUGWUHV-DUXPYHPUSA-N	-1	0	260.680	2.732	20	30		CFEDRM
Cc1ccccc1C(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042243900	649996776	/nfs/dbraw/zinc/99/67/76/649996776.db2.gz	RAWYDSZNVWXTQB-UHFFFAOYSA-N	-1	0	281.358	2.750	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(F)cc1	ZINC000042343699	649998187	/nfs/dbraw/zinc/99/81/87/649998187.db2.gz	NNGOTHZYALRQMW-UHFFFAOYSA-N	-1	0	287.356	2.845	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cc2cc(C)ccc2s1	ZINC000810533159	631383066	/nfs/dbraw/zinc/38/30/66/631383066.db2.gz	YRNAPZGGSKULFZ-GFCCVEGCSA-N	-1	0	298.367	2.834	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2CCCC2)cc1	ZINC000810533041	631383547	/nfs/dbraw/zinc/38/35/47/631383547.db2.gz	YIWIHYBBOYHWTP-INIZCTEOSA-N	-1	0	296.370	2.945	20	30		CFEDRM
Cc1cccc2c1ncc(C#N)c2N1CC[C@@](C)(C(=O)[O-])C1	ZINC000841495697	631417283	/nfs/dbraw/zinc/41/72/83/631417283.db2.gz	QTUNPRZCVWUUCS-QGZVFWFLSA-N	-1	0	295.342	2.716	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)CCCC)CC1	ZINC000810979629	631490608	/nfs/dbraw/zinc/49/06/08/631490608.db2.gz	GKDJYEXWXDVWRF-LBPRGKRZSA-N	-1	0	287.425	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CCC)C(C)C)CC1	ZINC000810984297	631491143	/nfs/dbraw/zinc/49/11/43/631491143.db2.gz	YTTSOBRUNUKXKQ-LBPRGKRZSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)/C(C)=C/C(C)(C)C)CC1	ZINC000810982050	631491389	/nfs/dbraw/zinc/49/13/89/631491389.db2.gz	XRSUBANAYBPYQD-ZHACJKMWSA-N	-1	0	285.409	2.534	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1ncccn1	ZINC000811638295	631589727	/nfs/dbraw/zinc/58/97/27/631589727.db2.gz	LYJKTJKHHGUEKU-UHFFFAOYSA-N	-1	0	296.330	2.717	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCCC2N=Nc1cccnn1	ZINC000811644172	631590449	/nfs/dbraw/zinc/59/04/49/631590449.db2.gz	TUTAQSZUTADDME-UHFFFAOYSA-N	-1	0	296.330	2.717	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO1	ZINC000842522228	631651950	/nfs/dbraw/zinc/65/19/50/631651950.db2.gz	JAOMEOGAVCNDJK-ZETCQYMHSA-N	-1	0	268.700	2.615	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNC12CC(C1)C2	ZINC000842546922	631662306	/nfs/dbraw/zinc/66/23/06/631662306.db2.gz	YZYWKJKPXFKEGJ-UHFFFAOYSA-N	-1	0	254.692	2.661	20	30		CFEDRM
O=C([O-])Cn1cc(C=NOC2CCC2)c2ccccc21	ZINC000812235666	631673536	/nfs/dbraw/zinc/67/35/36/631673536.db2.gz	MPMMDCNHAYKCPA-UHFFFAOYSA-N	-1	0	272.304	2.629	20	30		CFEDRM
COc1ccc(O)c(C=NNc2ccccc2C(=O)[O-])c1	ZINC000812441772	631719173	/nfs/dbraw/zinc/71/91/73/631719173.db2.gz	GGVCYLCANVRZLG-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)o1)c1nc(C2CC2)cs1	ZINC000842945246	631789234	/nfs/dbraw/zinc/78/92/34/631789234.db2.gz	PHCDTGIJHNAVJJ-JTQLQIEISA-N	-1	0	283.312	2.975	20	30		CFEDRM
C[C@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000843037401	631808680	/nfs/dbraw/zinc/80/86/80/631808680.db2.gz	WXFRIEUKMNTTTP-FZMZJTMJSA-N	-1	0	295.342	2.653	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	ZINC000843266058	631914177	/nfs/dbraw/zinc/91/41/77/631914177.db2.gz	ZXAGRNWEXLPQMA-VVIYEZJRSA-N	-1	0	260.293	2.908	20	30		CFEDRM
C=CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])C(C)C	ZINC000813440851	631920950	/nfs/dbraw/zinc/92/09/50/631920950.db2.gz	VEVOZBANJSSJBS-UHFFFAOYSA-N	-1	0	285.347	2.615	20	30		CFEDRM
O=C(/C=C/c1cnn(CC(F)F)c1)c1ccccc1[O-]	ZINC000814190985	632029077	/nfs/dbraw/zinc/02/90/77/632029077.db2.gz	XPLKBGFCRNHCBZ-AATRIKPKSA-N	-1	0	278.258	2.750	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1cccc([N+](=O)[O-])c1	ZINC000814694291	632109903	/nfs/dbraw/zinc/10/99/03/632109903.db2.gz	DDPFFUZSUWCLNJ-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
C[C@@H]1C(N=Nc2nncc3ccccc32)CC[C@@H]1CC(=O)[O-]	ZINC000814706333	632110560	/nfs/dbraw/zinc/11/05/60/632110560.db2.gz	XUQAUULHPIPTAU-WDEREUQCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ncc(Cl)s1	ZINC000814768713	632120719	/nfs/dbraw/zinc/12/07/19/632120719.db2.gz	JWKYCVUDPNGXDL-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
COc1cccc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)c1	ZINC000814777547	632121570	/nfs/dbraw/zinc/12/15/70/632121570.db2.gz	TUTATFQIMTWSRB-WDEREUQCSA-N	-1	0	276.336	2.984	20	30		CFEDRM
C[C@H]1C(=NNCc2cccc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814804740	632128272	/nfs/dbraw/zinc/12/82/72/632128272.db2.gz	CXBQJRRDNJXHCP-PWSUYJOCSA-N	-1	0	278.327	2.792	20	30		CFEDRM
COc1ccc(CNN=C(C)CC2(C(=O)[O-])CCC2)cc1	ZINC000814810601	632129888	/nfs/dbraw/zinc/12/98/88/632129888.db2.gz	BTYGOGRKENPLKQ-UHFFFAOYSA-N	-1	0	290.363	2.806	20	30		CFEDRM
O=C([O-])C1(c2ccccc2)CC(=NNC2CCCC2)C1	ZINC000814832834	632134172	/nfs/dbraw/zinc/13/41/72/632134172.db2.gz	OUBUOWGZCNOVRR-UHFFFAOYSA-N	-1	0	272.348	2.691	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC2CCCC2)c1Cl	ZINC000814832845	632134457	/nfs/dbraw/zinc/13/44/57/632134457.db2.gz	PAXPXBBDFPRPNW-UHFFFAOYSA-N	-1	0	266.728	2.904	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccnc3ccccc23)CC[C@@H]1C(=O)[O-]	ZINC000814841696	632136113	/nfs/dbraw/zinc/13/61/13/632136113.db2.gz	TUAUHZZTTXZELM-YPMHNXCESA-N	-1	0	297.358	2.945	20	30		CFEDRM
CC(=NOCC(F)(F)F)c1cc(C(=O)[O-])cs1	ZINC000814880806	632146731	/nfs/dbraw/zinc/14/67/31/632146731.db2.gz	LFGLTCZJAXZDIR-UHFFFAOYSA-N	-1	0	267.228	2.749	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)=NOCc1cccnc1	ZINC000814882307	632147712	/nfs/dbraw/zinc/14/77/12/632147712.db2.gz	MZYXDPLJQGCPQJ-UHFFFAOYSA-N	-1	0	262.309	2.619	20	30		CFEDRM
CC(C)CON=C1CCc2cccc(C(=O)[O-])c2C1	ZINC000814884444	632148387	/nfs/dbraw/zinc/14/83/87/632148387.db2.gz	XXTSAAIEWBIWIM-UHFFFAOYSA-N	-1	0	261.321	2.902	20	30		CFEDRM
COc1ccc(N=NC2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1	ZINC000814884944	632148527	/nfs/dbraw/zinc/14/85/27/632148527.db2.gz	FNUBRDQPDTXZAL-MNOVXSKESA-N	-1	0	276.336	2.984	20	30		CFEDRM
O=C([O-])c1ccc2c(c1)CCCC2=NO[C@@H]1CCCCO1	ZINC000814886800	632149490	/nfs/dbraw/zinc/14/94/90/632149490.db2.gz	DFWRFBFLCQBBDA-OAHLLOKOSA-N	-1	0	289.331	2.968	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C1COc2ccccc21	ZINC000814887619	632150193	/nfs/dbraw/zinc/15/01/93/632150193.db2.gz	URHBLWIJOUXCOM-UHFFFAOYSA-N	-1	0	298.298	2.602	20	30		CFEDRM
CC(Cc1ccc(O)cc1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000814890781	632150567	/nfs/dbraw/zinc/15/05/67/632150567.db2.gz	ZIEINTRRXDLKHZ-UHFFFAOYSA-N	-1	0	285.303	2.516	20	30		CFEDRM
CC(C)c1cnc(CN=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000814890425	632150908	/nfs/dbraw/zinc/15/09/08/632150908.db2.gz	OCIXUUXQBMIVPA-UHFFFAOYSA-N	-1	0	290.348	2.806	20	30		CFEDRM
CC(C)OCCNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814899443	632155065	/nfs/dbraw/zinc/15/50/65/632155065.db2.gz	WPBRJFBCLRONHP-RYUDHWBXSA-N	-1	0	284.400	2.514	20	30		CFEDRM
CC(C)OCCNN=C1CC[C@H](C(=O)[O-])C(C)(C)[C@@H]1C	ZINC000814899444	632155233	/nfs/dbraw/zinc/15/52/33/632155233.db2.gz	WPBRJFBCLRONHP-VXGBXAGGSA-N	-1	0	284.400	2.514	20	30		CFEDRM
Cc1cccc(F)c1NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814905350	632158253	/nfs/dbraw/zinc/15/82/53/632158253.db2.gz	UVLOYBFCAHIFDF-UHFFFAOYSA-N	-1	0	261.256	2.606	20	30		CFEDRM
CC(C)[C@@H](Cc1ccccc1)NN=Cc1c[nH]c(C(=O)[O-])c1	ZINC000814907117	632159164	/nfs/dbraw/zinc/15/91/64/632159164.db2.gz	VKZUSRXUASXIDO-OAHLLOKOSA-N	-1	0	299.374	2.904	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NOC1CCOCC1	ZINC000814907310	632159273	/nfs/dbraw/zinc/15/92/73/632159273.db2.gz	CYPOEMOTLAMGGQ-UHFFFAOYSA-N	-1	0	277.320	2.531	20	30		CFEDRM
CC(=NOC[C@H]1CCOC1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000814912331	632161721	/nfs/dbraw/zinc/16/17/21/632161721.db2.gz	PTHCSBSEUAXMPI-XQQFMLRXSA-N	-1	0	283.368	2.552	20	30		CFEDRM
CC(C)c1nccnc1N=NC1CCC(C(=O)[O-])CC1	ZINC000814917102	632163390	/nfs/dbraw/zinc/16/33/90/632163390.db2.gz	PHCDTJNWVRILLK-UHFFFAOYSA-N	-1	0	276.340	2.643	20	30		CFEDRM
CC(=NNCCc1ccccn1)[C@H](C)CCCCC(=O)[O-]	ZINC000814924840	632166965	/nfs/dbraw/zinc/16/69/65/632166965.db2.gz	DPOXTQARZKHWLK-CYBMUJFWSA-N	-1	0	291.395	2.871	20	30		CFEDRM
CC(N=Nc1cncnc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814926865	632167521	/nfs/dbraw/zinc/16/75/21/632167521.db2.gz	NRBPNCVUCRKYJA-JTQLQIEISA-N	-1	0	264.329	2.546	20	30		CFEDRM
COc1ccc([C@H]2CCCCC2=NNCC(=O)[O-])cc1F	ZINC000814956612	632178979	/nfs/dbraw/zinc/17/89/79/632178979.db2.gz	HIWYCJNXYUYEIT-LLVKDONJSA-N	-1	0	294.326	2.522	20	30		CFEDRM
O=C([O-])CNN=C(CCc1ccccc1)c1ccccc1	ZINC000814958313	632179714	/nfs/dbraw/zinc/17/97/14/632179714.db2.gz	LNMQRJAMKQZQLI-UHFFFAOYSA-N	-1	0	282.343	2.698	20	30		CFEDRM
CC(C)Oc1ccc([C@@H]2CCCC2=NNCC(=O)[O-])cc1	ZINC000814958239	632179986	/nfs/dbraw/zinc/17/99/86/632179986.db2.gz	GVGLJSRCMMYRCD-AWEZNQCLSA-N	-1	0	290.363	2.772	20	30		CFEDRM
O=C([O-])CNN=C1CC2(CCCCC2)Oc2ccccc21	ZINC000814961118	632180437	/nfs/dbraw/zinc/18/04/37/632180437.db2.gz	XFEXRDZCKFRQOF-UHFFFAOYSA-N	-1	0	288.347	2.550	20	30		CFEDRM
Cc1c(N=NC2C[C@@H](C)O[C@H]2C)cccc1C(=O)[O-]	ZINC000844622479	632266718	/nfs/dbraw/zinc/26/67/18/632266718.db2.gz	DEMSHDBGFUKNBS-SCZZXKLOSA-N	-1	0	262.309	2.658	20	30		CFEDRM
CC(=NNc1cccc(C(=O)[O-])c1C)c1cnc(C)nc1C	ZINC000844622896	632266784	/nfs/dbraw/zinc/26/67/84/632266784.db2.gz	FFGUNORRMDBOFK-UHFFFAOYSA-N	-1	0	298.346	2.936	20	30		CFEDRM
Cc1c(N=NC(C)C[C@@H]2CCOC2)cccc1C(=O)[O-]	ZINC000844624366	632267805	/nfs/dbraw/zinc/26/78/05/632267805.db2.gz	PURGKADIAMOHSR-LBPRGKRZSA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(N=NC2CCOC2(C)C)cccc1C(=O)[O-]	ZINC000844624111	632268044	/nfs/dbraw/zinc/26/80/44/632268044.db2.gz	UWGGMKQOEACMLP-UHFFFAOYSA-N	-1	0	262.309	2.660	20	30		CFEDRM
CCC(N=Nc1cccc(C(=O)[O-])c1C)[C@H]1CCOC1	ZINC000844623985	632268054	/nfs/dbraw/zinc/26/80/54/632268054.db2.gz	OXYDAYKSKZTJFB-NSHDSACASA-N	-1	0	276.336	2.908	20	30		CFEDRM
Cc1c(N=NC(C)[C@@H]2CCCO2)cccc1C(=O)[O-]	ZINC000844624513	632268068	/nfs/dbraw/zinc/26/80/68/632268068.db2.gz	QPZXDCRYXMZPDF-ZDUSSCGKSA-N	-1	0	262.309	2.660	20	30		CFEDRM
N#CC1(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1	ZINC000815815377	632323842	/nfs/dbraw/zinc/32/38/42/632323842.db2.gz	XZGJVUSMBBLIHI-UHFFFAOYSA-N	-1	0	273.317	2.749	20	30		CFEDRM
C#CCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000816752984	632519603	/nfs/dbraw/zinc/51/96/03/632519603.db2.gz	UQRJXHHBECATKZ-UHFFFAOYSA-N	-1	0	283.331	2.914	20	30		CFEDRM
CCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845833949	632577831	/nfs/dbraw/zinc/57/78/31/632577831.db2.gz	JUGGPDSAHJEZBH-JTQLQIEISA-N	-1	0	261.346	2.928	20	30		CFEDRM
N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccsn1	ZINC000845844485	632578711	/nfs/dbraw/zinc/57/87/11/632578711.db2.gz	RWMXEWKZLWYGCP-GFCCVEGCSA-N	-1	0	296.351	2.766	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1cccc(C2CCC2)c1	ZINC000846147138	632646718	/nfs/dbraw/zinc/64/67/18/632646718.db2.gz	MVWMCOJGMDZKOZ-UHFFFAOYSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1ccccc1C(C)(C)C	ZINC000846151782	632647812	/nfs/dbraw/zinc/64/78/12/632647812.db2.gz	HAUNIRYCWNZTEC-LLVKDONJSA-N	-1	0	290.363	2.545	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(=O)Nc1c(C)cccc1C(C)C	ZINC000846150266	632648036	/nfs/dbraw/zinc/64/80/36/632648036.db2.gz	COSYWYOFWPWIIR-UHFFFAOYSA-N	-1	0	290.363	2.681	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@](O)(CC)c1cccc(Cl)c1	ZINC000846533145	632723614	/nfs/dbraw/zinc/72/36/14/632723614.db2.gz	AIFARYCKHLNFDA-AWEZNQCLSA-N	-1	0	283.755	2.562	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H]1CC(C)(C)Oc2ccccc21	ZINC000846533804	632724556	/nfs/dbraw/zinc/72/45/56/632724556.db2.gz	FGFFCXVGOCIFGH-ZDUSSCGKSA-N	-1	0	275.348	2.955	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](C)Oc1ccc(SC)cc1	ZINC000846537004	632726361	/nfs/dbraw/zinc/72/63/61/632726361.db2.gz	FJTMVEWSQJNELH-NSHDSACASA-N	-1	0	281.377	2.800	20	30		CFEDRM
C=C(C)CO[N-]C(=O)Cc1csc(C(C)(C)C)n1	ZINC000846537768	632726506	/nfs/dbraw/zinc/72/65/06/632726506.db2.gz	CXXOMTTYAPCHQX-UHFFFAOYSA-N	-1	0	268.382	2.607	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)COc1ccc(Cl)cc1Cl	ZINC000846540768	632730047	/nfs/dbraw/zinc/73/00/47/632730047.db2.gz	JQVMDFUUKODJRJ-QMMMGPOBSA-N	-1	0	290.146	2.995	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)c1ccc(OC)c(OC)c1	ZINC000846545900	632734200	/nfs/dbraw/zinc/73/42/00/632734200.db2.gz	JREBGUDPDRCTDC-LLVKDONJSA-N	-1	0	293.363	2.604	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1	ZINC000846548339	632736484	/nfs/dbraw/zinc/73/64/84/632736484.db2.gz	SVQGJOGTGLYARP-RFGFWPKPSA-N	-1	0	269.385	2.983	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CCCC)ON=C(C)C	ZINC000846549476	632737863	/nfs/dbraw/zinc/73/78/63/632737863.db2.gz	NWRGVHKDWIMOEO-RYUDHWBXSA-N	-1	0	256.346	2.580	20	30		CFEDRM
CCC(CC)(CNc1snc(Cl)c1C#N)C(=O)[O-]	ZINC000818624071	632883187	/nfs/dbraw/zinc/88/31/87/632883187.db2.gz	QTJJHSMTHWHDGY-UHFFFAOYSA-N	-1	0	287.772	2.971	20	30		CFEDRM
CC(C)(C)c1cccc(C([O-])=C(C#N)C(=O)N2CCCC2)c1	ZINC000847621907	633010300	/nfs/dbraw/zinc/01/03/00/633010300.db2.gz	VLJMCLNPCBDZQS-OAHLLOKOSA-N	-1	0	298.386	2.929	20	30		CFEDRM
CC(C)(C)c1cccc(C([O-])=C(C#N)C(=O)NC2CC2)c1	ZINC000847624777	633010971	/nfs/dbraw/zinc/01/09/71/633010971.db2.gz	XXCWPNULWSEYMK-AWEZNQCLSA-N	-1	0	284.359	2.585	20	30		CFEDRM
C=CCO[N-]C(=O)C(F)(F)c1ccccc1OC(C)C	ZINC000848200070	633216708	/nfs/dbraw/zinc/21/67/08/633216708.db2.gz	FSTUBZUYEHCKEQ-UHFFFAOYSA-N	-1	0	285.290	2.799	20	30		CFEDRM
CC[C@H]1C[C@@H](CN=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848413641	633252885	/nfs/dbraw/zinc/25/28/85/633252885.db2.gz	BAFFGNIOMXVQJB-ZFWWWQNUSA-N	-1	0	290.363	2.917	20	30		CFEDRM
CO[C@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415988	633253246	/nfs/dbraw/zinc/25/32/46/633253246.db2.gz	VEFJCMZFVVOODS-AWEZNQCLSA-N	-1	0	276.336	2.671	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NC2CC(C(F)F)C2)cc1	ZINC000848414732	633253285	/nfs/dbraw/zinc/25/32/85/633253285.db2.gz	RCFCHXDYFSGWND-UHFFFAOYSA-N	-1	0	268.263	2.757	20	30		CFEDRM
O=C(/C=C/c1cc2n(n1)CCCC2)c1ccc(F)cc1[O-]	ZINC000848641024	633307161	/nfs/dbraw/zinc/30/71/61/633307161.db2.gz	XYBRYXJPRDDQHC-FNORWQNLSA-N	-1	0	286.306	2.960	20	30		CFEDRM
C[C@]1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F	ZINC000849172392	633579679	/nfs/dbraw/zinc/57/96/79/633579679.db2.gz	RLEOHYZEAZPKCP-WFWRNDJQSA-N	-1	0	270.235	2.765	20	30		CFEDRM
O=C(/C=C/c1ccnn1CC1CC1)c1ccc(O)cc1	ZINC000849240108	633588161	/nfs/dbraw/zinc/58/81/61/633588161.db2.gz	FPYMJOHQTDQSJI-VMPITWQZSA-N	-1	0	268.316	2.895	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c(C3CC3)cnn2C)c([O-])c1	ZINC000849246362	633589672	/nfs/dbraw/zinc/58/96/72/633589672.db2.gz	HPUWZUBSFLTIRO-BQYQJAHWSA-N	-1	0	298.342	2.908	20	30		CFEDRM
C#CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000849348109	633625185	/nfs/dbraw/zinc/62/51/85/633625185.db2.gz	IMVGVGCSYDDCNV-LLVKDONJSA-N	-1	0	288.303	2.533	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(C2CCCC2)c1	ZINC000850760609	634081769	/nfs/dbraw/zinc/08/17/69/634081769.db2.gz	VJZDFVXSYHFIOM-INIZCTEOSA-N	-1	0	296.370	2.969	20	30		CFEDRM
Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(C2CC2)cc1	ZINC000850898279	634127588	/nfs/dbraw/zinc/12/75/88/634127588.db2.gz	DBNQSCFDGDOKOQ-AWEZNQCLSA-N	-1	0	293.326	2.503	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CC2(C1)CCCCC2	ZINC000850898766	634128485	/nfs/dbraw/zinc/12/84/85/634128485.db2.gz	KOMGKCOYZKAYNW-CYBMUJFWSA-N	-1	0	299.374	2.672	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1CCC(C2CC2)CC1	ZINC000850899920	634128663	/nfs/dbraw/zinc/12/86/63/634128663.db2.gz	XOUSUKDGSKYSLF-RUXDESIVSA-N	-1	0	299.374	2.528	20	30		CFEDRM
C#CC1CCC(N=Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000853252794	634952312	/nfs/dbraw/zinc/95/23/12/634952312.db2.gz	UPTICCHEMJWSRV-UHFFFAOYSA-N	-1	0	256.305	2.976	20	30		CFEDRM
CC[C@@H]1CCCC(N=Nc2nnc(C)c(=O)[n-]2)CC1	ZINC000853269898	634956611	/nfs/dbraw/zinc/95/66/11/634956611.db2.gz	BCSVSDKTXDOANY-SNVBAGLBSA-N	-1	0	263.345	2.644	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2COC3(CCC3)C2)cc1F	ZINC000853354646	634981482	/nfs/dbraw/zinc/98/14/82/634981482.db2.gz	QITKBMQNWHSCQT-UHFFFAOYSA-N	-1	0	278.283	2.635	20	30		CFEDRM
O=C([O-])Cc1ccc(N=NCC2CCSCC2)cc1	ZINC000853370854	634985334	/nfs/dbraw/zinc/98/53/34/634985334.db2.gz	YNOFGCBMLWOPKV-UHFFFAOYSA-N	-1	0	278.377	2.855	20	30		CFEDRM
C[C@H]1CCCCN1N=Cc1cccc(OCCC(=O)[O-])c1	ZINC000853380670	634988012	/nfs/dbraw/zinc/98/80/12/634988012.db2.gz	RIUHOOOCWIBSCM-ZDUSSCGKSA-N	-1	0	290.363	2.748	20	30		CFEDRM
C[C@H]1C(N=Nc2ccncc2F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000853403011	634995054	/nfs/dbraw/zinc/99/50/54/634995054.db2.gz	PXNBUQVGHJIVLK-UWVGGRQHSA-N	-1	0	293.342	2.567	20	30		CFEDRM
CC(N=Nc1ccncc1F)[C@H](C)CCCCC(=O)[O-]	ZINC000853402954	634995245	/nfs/dbraw/zinc/99/52/45/634995245.db2.gz	NQXSZTSOXKNZCW-SNVBAGLBSA-N	-1	0	281.331	2.712	20	30		CFEDRM
COc1cc(C(C)=NOCC2CCC2)cc([N+](=O)[O-])c1[O-]	ZINC000853439781	635000762	/nfs/dbraw/zinc/00/07/62/635000762.db2.gz	QFGLEYQDGBXQAP-UHFFFAOYSA-N	-1	0	294.307	2.850	20	30		CFEDRM
CC(C)C#CC(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000854453527	635309276	/nfs/dbraw/zinc/30/92/76/635309276.db2.gz	QJIRVZITOLQJSO-UHFFFAOYSA-N	-1	0	255.676	2.783	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC)o1	ZINC000112483706	635359653	/nfs/dbraw/zinc/35/96/53/635359653.db2.gz	IPPFWRISYNIJGJ-JTQLQIEISA-N	-1	0	294.376	2.630	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000854985132	635435893	/nfs/dbraw/zinc/43/58/93/635435893.db2.gz	RWVXBAAVJODPBS-WCBMZHEXSA-N	-1	0	287.344	2.539	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@]1(c2ccccc2)CC1(C)C	ZINC000855026483	635445544	/nfs/dbraw/zinc/44/55/44/635445544.db2.gz	GIKGGCUBECBJSE-MLGOLLRUSA-N	-1	0	259.349	2.977	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000856028684	635704270	/nfs/dbraw/zinc/70/42/70/635704270.db2.gz	ZHMIIOUIDXNCRR-UHFFFAOYSA-N	-1	0	277.364	2.987	20	30		CFEDRM
C=CCCO[N-]C(=O)CSc1ccccc1C	ZINC000856029036	635704626	/nfs/dbraw/zinc/70/46/26/635704626.db2.gz	XBAHFLULTBBYRE-UHFFFAOYSA-N	-1	0	251.351	2.711	20	30		CFEDRM
C=CCCO[N-]C(=O)C1(c2cccc(Cl)c2)CC1	ZINC000856029849	635705296	/nfs/dbraw/zinc/70/52/96/635705296.db2.gz	GFYALNXOPLWSLP-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1nc(-c2ccsc2)oc1C	ZINC000856031162	635706895	/nfs/dbraw/zinc/70/68/95/635706895.db2.gz	FZUQQPKCNIDUQQ-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H]1SCCc2sccc21	ZINC000856032096	635707628	/nfs/dbraw/zinc/70/76/28/635707628.db2.gz	GPNURHVIADIUND-NSHDSACASA-N	-1	0	269.391	2.702	20	30		CFEDRM
CCCCCCCC(=O)N1CCSC[C@@H](C(=O)[O-])C1	ZINC000856995588	635902493	/nfs/dbraw/zinc/90/24/93/635902493.db2.gz	IQFVQPQSBPUYKX-LBPRGKRZSA-N	-1	0	287.425	2.623	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CCCOCC2)cc1	ZINC000857206429	635946312	/nfs/dbraw/zinc/94/63/12/635946312.db2.gz	PUQULZOAAAZZST-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)c1cccs1	ZINC000048427090	650266252	/nfs/dbraw/zinc/26/62/52/650266252.db2.gz	AIBACFDZMLBQOD-UHFFFAOYSA-N	-1	0	287.387	2.698	20	30		CFEDRM
CC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048425516	650266281	/nfs/dbraw/zinc/26/62/81/650266281.db2.gz	TVMDPISPTGCULQ-VIFPVBQESA-N	-1	0	255.339	2.686	20	30		CFEDRM
Cc1cc(C)c(C=CC(=O)[N-]S(C)(=O)=O)cc1C	ZINC000048486784	650268494	/nfs/dbraw/zinc/26/84/94/650268494.db2.gz	ISSGWOWYUZRECU-WAYWQWQTSA-N	-1	0	267.350	2.541	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)o1	ZINC000048518342	650269178	/nfs/dbraw/zinc/26/91/78/650269178.db2.gz	GOXZXMRQRZFPJI-MDZDMXLPSA-N	-1	0	291.328	2.893	20	30		CFEDRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)c(C)o1	ZINC000048499533	650269262	/nfs/dbraw/zinc/26/92/62/650269262.db2.gz	NTLRIUULEIGZKB-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518320	650269500	/nfs/dbraw/zinc/26/95/00/650269500.db2.gz	CKHICZOIBFZRBC-ALPGUUAYSA-N	-1	0	265.334	2.600	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048518351	650269876	/nfs/dbraw/zinc/26/98/76/650269876.db2.gz	OQOIEUXMGSKEFR-DWOQACPDSA-N	-1	0	267.350	2.990	20	30		CFEDRM
CCS(=O)(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2	ZINC000081569448	636794329	/nfs/dbraw/zinc/79/43/29/636794329.db2.gz	YXRHCFKAQDYHJI-QMMMGPOBSA-N	-1	0	284.406	2.506	20	30		CFEDRM
COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CC2)cc1	ZINC000049135209	650288614	/nfs/dbraw/zinc/28/86/14/650288614.db2.gz	NXIUPDKIBNFOAA-SNVBAGLBSA-N	-1	0	297.376	2.777	20	30		CFEDRM
COC[C@H](C)C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000049176388	650289521	/nfs/dbraw/zinc/28/95/21/650289521.db2.gz	IRMQTYJZBRJQHH-RWNYKPJXSA-N	-1	0	286.715	2.655	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C	ZINC000118608949	637251796	/nfs/dbraw/zinc/25/17/96/637251796.db2.gz	KYIACURCOWPYER-NWDGAFQWSA-N	-1	0	255.358	2.669	20	30		CFEDRM
CCCCCCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC000862356615	637329936	/nfs/dbraw/zinc/32/99/36/637329936.db2.gz	ZGPTXMCHJZSUAR-UHFFFAOYSA-N	-1	0	277.324	2.629	20	30		CFEDRM
C#CC[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000862561363	637428142	/nfs/dbraw/zinc/42/81/42/637428142.db2.gz	KFTMXNOAQOJMMZ-SNVBAGLBSA-N	-1	0	263.724	2.531	20	30		CFEDRM
CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000075776945	650347905	/nfs/dbraw/zinc/34/79/05/650347905.db2.gz	CJISVKPICMBFFT-UHFFFAOYSA-N	-1	0	287.406	2.864	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864144122	637892901	/nfs/dbraw/zinc/89/29/01/637892901.db2.gz	WCPNOELUQRMFRH-WSKFYRRCSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)C(=O)[O-]	ZINC000864183523	637906375	/nfs/dbraw/zinc/90/63/75/637906375.db2.gz	GQJZIFZBOJIOCC-IEBDPFPHSA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CCC1CCCC1)C(=O)[O-]	ZINC000864184454	637907423	/nfs/dbraw/zinc/90/74/23/637907423.db2.gz	WNAPSIHSTRDCDV-NSHDSACASA-N	-1	0	273.760	2.669	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCC1)C(=O)[O-]	ZINC000864186094	637907491	/nfs/dbraw/zinc/90/74/91/637907491.db2.gz	IUXHWIOQQPQFCW-TUAOUCFPSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1cccc(C)c1C)C(=O)[O-]	ZINC000864184884	637907494	/nfs/dbraw/zinc/90/74/94/637907494.db2.gz	YNRODVBGGLCCEV-GFCCVEGCSA-N	-1	0	281.739	2.629	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C=C1CCCCC1)C(=O)[O-]	ZINC000864185535	637907611	/nfs/dbraw/zinc/90/76/11/637907611.db2.gz	WNNNQPMJZVNSJL-LLVKDONJSA-N	-1	0	271.744	2.589	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-]	ZINC000864184244	637907657	/nfs/dbraw/zinc/90/76/57/637907657.db2.gz	PLJDYYYAQNWXBJ-CABZTGNLSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)C(=O)[O-]	ZINC000864186095	637907711	/nfs/dbraw/zinc/90/77/11/637907711.db2.gz	IUXHWIOQQPQFCW-UTUOFQBUSA-N	-1	0	285.771	2.525	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000864187077	637908107	/nfs/dbraw/zinc/90/81/07/637908107.db2.gz	CZWLQXNUDWYEPC-XEHSLEBBSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CC(CC)CC)C(=O)[O-]	ZINC000864186326	637908203	/nfs/dbraw/zinc/90/82/03/637908203.db2.gz	MWXLLFSJBZKGAO-SNVBAGLBSA-N	-1	0	261.749	2.525	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1	ZINC000864199575	637913743	/nfs/dbraw/zinc/91/37/43/637913743.db2.gz	JAWHQVAXCIXRBH-HNNXBMFYSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=C(Cl)C[C@@H](NCc1csc(C2CC2)n1)C(=O)[O-]	ZINC000864519374	638009726	/nfs/dbraw/zinc/00/97/26/638009726.db2.gz	MRZFODPDCTZWRE-SNVBAGLBSA-N	-1	0	286.784	2.706	20	30		CFEDRM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC000076807614	650405343	/nfs/dbraw/zinc/40/53/43/650405343.db2.gz	WMSPUDUGUSSILC-LBPRGKRZSA-N	-1	0	298.408	2.756	20	30		CFEDRM
CCCCCCCCS(=O)(=O)c1n[nH]c(CC)n1	ZINC000191053681	650475831	/nfs/dbraw/zinc/47/58/31/650475831.db2.gz	HGJNKURXGJQCPU-UHFFFAOYSA-N	-1	0	273.402	2.501	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000122598672	639232985	/nfs/dbraw/zinc/23/29/85/639232985.db2.gz	MEBNUTTTXSNLJN-CQSZACIVSA-N	-1	0	295.342	2.749	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)CCCc1cc(C)sc1C	ZINC000191264403	650485928	/nfs/dbraw/zinc/48/59/28/650485928.db2.gz	ZNBPXZBZYUJKTD-UHFFFAOYSA-N	-1	0	295.404	2.787	20	30		CFEDRM
Cc1cc2cc(C([O-])=C(C#N)C(=O)NC3CC3)oc2cc1C	ZINC000122910504	639505662	/nfs/dbraw/zinc/50/56/62/639505662.db2.gz	AUPBNHTZUNAPOU-CYBMUJFWSA-N	-1	0	296.326	2.651	20	30		CFEDRM
CCCCC[C@H](C)CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000122934621	639518532	/nfs/dbraw/zinc/51/85/32/639518532.db2.gz	ULZGJDGIRRIAOY-QWHCGFSZSA-N	-1	0	289.379	2.918	20	30		CFEDRM
CCCCCCO[C@@H](C)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690072	639772689	/nfs/dbraw/zinc/77/26/89/639772689.db2.gz	ILXDMZSWELFSCF-ZDUSSCGKSA-N	-1	0	290.363	2.954	20	30		CFEDRM
CCO[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)C1CCCC1	ZINC000870693728	639775880	/nfs/dbraw/zinc/77/58/80/639775880.db2.gz	SBRWIPJLWDFHRO-OAHLLOKOSA-N	-1	0	288.347	2.564	20	30		CFEDRM
COc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000079149671	650564932	/nfs/dbraw/zinc/56/49/32/650564932.db2.gz	ARTBRYVUYGYAFN-NSHDSACASA-N	-1	0	299.392	2.884	20	30		CFEDRM
CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000079149662	650564963	/nfs/dbraw/zinc/56/49/63/650564963.db2.gz	MUSHTLSAOBKHNM-ZDUSSCGKSA-N	-1	0	299.392	2.847	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)CCC(C)(C)CC	ZINC000870814061	641084933	/nfs/dbraw/zinc/08/49/33/641084933.db2.gz	PAAXEOHCQCVQQL-UHFFFAOYSA-N	-1	0	289.441	2.861	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCCCC2)CC1	ZINC000870833084	641091768	/nfs/dbraw/zinc/09/17/68/641091768.db2.gz	WHURDFJXESTVPP-GFCCVEGCSA-N	-1	0	299.436	2.758	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cccc(C)c1	ZINC000193369244	650647544	/nfs/dbraw/zinc/64/75/44/650647544.db2.gz	JPDHDJZJPQRYDX-CQSZACIVSA-N	-1	0	272.348	2.624	20	30		CFEDRM
CCc1ncsc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000124004760	641725021	/nfs/dbraw/zinc/72/50/21/641725021.db2.gz	WTVRAHHLTARAMC-UHFFFAOYSA-N	-1	0	273.317	2.535	20	30		CFEDRM
O=C([O-])c1cc(N=NCCCCCCO)ccc1Cl	ZINC000872326039	641756687	/nfs/dbraw/zinc/75/66/87/641756687.db2.gz	RPUHXCQJIFHKHC-UHFFFAOYSA-N	-1	0	284.743	2.989	20	30		CFEDRM
Cc1cc(C)c(CC=CN=Nc2nnc(C)c(=O)[n-]2)c(C)c1	ZINC000872331347	641758247	/nfs/dbraw/zinc/75/82/47/641758247.db2.gz	DZZDBOYWAGIPEP-YWKAUNPBSA-N	-1	0	297.362	2.922	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC1CC[C@@H]2C[C@@H]21	ZINC000872360236	641768343	/nfs/dbraw/zinc/76/83/43/641768343.db2.gz	FIEADDGYGGLSNU-SCZZXKLOSA-N	-1	0	260.293	2.591	20	30		CFEDRM
CC[C@H](NN=C(C)CCc1cncc2ccccc21)C(=O)[O-]	ZINC000872377314	641780963	/nfs/dbraw/zinc/78/09/63/641780963.db2.gz	YTVGRVMFCLDCHX-INIZCTEOSA-N	-1	0	299.374	2.996	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](CC)CCC)C(=O)[O-]	ZINC000872740891	641918151	/nfs/dbraw/zinc/91/81/51/641918151.db2.gz	QTCCLCOFECMUAQ-NXEZZACHSA-N	-1	0	261.749	2.525	20	30		CFEDRM
N#Cc1cc(F)cc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1	ZINC000872884702	641956068	/nfs/dbraw/zinc/95/60/68/641956068.db2.gz	XOUFJZAEZTZDRN-UHFFFAOYSA-N	-1	0	288.278	2.591	20	30		CFEDRM
Cc1cc(F)c(C#N)cc1NC(=O)CC1(C(=O)[O-])CCC1	ZINC000873005848	641982677	/nfs/dbraw/zinc/98/26/77/641982677.db2.gz	ZTAIWLSVZQDRMA-UHFFFAOYSA-N	-1	0	290.294	2.589	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000873005276	641982808	/nfs/dbraw/zinc/98/28/08/641982808.db2.gz	NWJPSRDJUJTISZ-STQMWFEESA-N	-1	0	279.380	2.762	20	30		CFEDRM
C=CCC(C)(C)C(=O)[N-]S(=O)(=O)C[C@H](C)C(C)(C)C	ZINC000873603722	642271809	/nfs/dbraw/zinc/27/18/09/642271809.db2.gz	LQSPOHSJIRIKLV-NSHDSACASA-N	-1	0	289.441	2.717	20	30		CFEDRM
COc1cccc([C@H](C)CC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000084693828	650777380	/nfs/dbraw/zinc/77/73/80/650777380.db2.gz	QTPSBAOESHTPMX-LLVKDONJSA-N	-1	0	299.392	2.884	20	30		CFEDRM
COc1cccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C(C)C)c1	ZINC000084693829	650777553	/nfs/dbraw/zinc/77/75/53/650777553.db2.gz	QTPSBAOESHTPMX-NSHDSACASA-N	-1	0	299.392	2.884	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086056071	650795331	/nfs/dbraw/zinc/79/53/31/650795331.db2.gz	SDNZKZWHOJTBRZ-UHFFFAOYSA-N	-1	0	273.379	2.634	20	30		CFEDRM
CCC(C)(C)c1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1	ZINC000126126171	642989288	/nfs/dbraw/zinc/98/92/88/642989288.db2.gz	NMYGPKADRYMSBW-OAHLLOKOSA-N	-1	0	298.386	2.975	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000088800710	650820134	/nfs/dbraw/zinc/82/01/34/650820134.db2.gz	YULRYESDAYVYFG-UHFFFAOYSA-N	-1	0	291.372	2.931	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000089968215	650860351	/nfs/dbraw/zinc/86/03/51/650860351.db2.gz	NQJSSFNHGWBRJW-JYOAFUTRSA-N	-1	0	294.376	2.607	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21	ZINC000089969469	650861072	/nfs/dbraw/zinc/86/10/72/650861072.db2.gz	UIDROXZPYYVQKB-KMKOMSMNSA-N	-1	0	290.344	2.846	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1	ZINC000022768887	643943457	/nfs/dbraw/zinc/94/34/57/643943457.db2.gz	JHOWOPJYJZHWBF-JSJZUPIVSA-N	-1	0	271.276	2.876	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000878652767	643975906	/nfs/dbraw/zinc/97/59/06/643975906.db2.gz	VTSHZCPCJCQAPF-UHFFFAOYSA-N	-1	0	287.319	2.571	20	30		CFEDRM
CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125401	650892338	/nfs/dbraw/zinc/89/23/38/650892338.db2.gz	VUGYZKNGZAUZBL-SNVBAGLBSA-N	-1	0	297.376	2.703	20	30		CFEDRM
C=CCCC[C@H](C(=O)[N-]OCC(C)(C)O)c1ccccc1	ZINC000879793297	644425877	/nfs/dbraw/zinc/42/58/77/644425877.db2.gz	KWGQQCVCYBCTCE-HNNXBMFYSA-N	-1	0	291.391	2.945	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1nc(-c2cccs2)oc1C	ZINC000092466450	650920303	/nfs/dbraw/zinc/92/03/03/650920303.db2.gz	LCGQRNIGHVOHOU-UHFFFAOYSA-N	-1	0	292.360	2.784	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@]1(c2ccccc2)C[C@H](F)C1	ZINC000880724733	644816915	/nfs/dbraw/zinc/81/69/15/644816915.db2.gz	AFLLKHZLTHDHKR-CTYIDZIISA-N	-1	0	263.312	2.680	20	30		CFEDRM
CCc1cc(C)c(C([O-])=C(C#N)C(=O)NC2CCCC2)o1	ZINC000128833234	644913122	/nfs/dbraw/zinc/91/31/22/644913122.db2.gz	OAICQEPWCICXSW-CYBMUJFWSA-N	-1	0	288.347	2.532	20	30		CFEDRM
CC1(C)CC[C@@H](CC(=O)[N-]Oc2cccc(C#N)c2)OC1	ZINC000881299513	644946293	/nfs/dbraw/zinc/94/62/93/644946293.db2.gz	MZFOZZPUPFGTBY-ZDUSSCGKSA-N	-1	0	288.347	2.564	20	30		CFEDRM
CCC(=NNc1nnc(C)c(=O)[n-]1)c1sccc1Cl	ZINC000884388109	646336579	/nfs/dbraw/zinc/33/65/79/646336579.db2.gz	NHGFDQISDUHFAG-UHFFFAOYSA-N	-1	0	297.771	2.827	20	30		CFEDRM
O=C(/C=C/c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000136508233	646842980	/nfs/dbraw/zinc/84/29/80/646842980.db2.gz	VWOHHZWBDTZFBY-HWKANZROSA-N	-1	0	270.244	2.592	20	30		CFEDRM
COC[C@H]1C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000887270326	647256535	/nfs/dbraw/zinc/25/65/35/647256535.db2.gz	MAPZWZDINKEURA-CLCCEQEKSA-N	-1	0	298.726	2.798	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H]2CCC3(CCC3)O2)c1	ZINC000887269865	647256540	/nfs/dbraw/zinc/25/65/40/647256540.db2.gz	CQECMYPVRCHYPW-WFSQQTBHSA-N	-1	0	290.319	2.821	20	30		CFEDRM
CC(C)[C@@H]1CCc2[n-]n(-c3ccc(C#N)cn3)c(=O)c2C1	ZINC000887295198	647262780	/nfs/dbraw/zinc/26/27/80/647262780.db2.gz	ZRWBYSDDVWBTOX-CHWSQXEVSA-N	-1	0	282.347	2.728	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000887325077	647269974	/nfs/dbraw/zinc/26/99/74/647269974.db2.gz	FHLUAKPESSAJMD-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C1CCC(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1	ZINC000887325335	647271480	/nfs/dbraw/zinc/27/14/80/647271480.db2.gz	MKEPKUMOVUJPOJ-UHFFFAOYSA-N	-1	0	273.332	2.747	20	30		CFEDRM
C=C1CCC(C(=O)N2CCc3occc3[C@H]2C(=O)[O-])CC1	ZINC000887325101	647271482	/nfs/dbraw/zinc/27/14/82/647271482.db2.gz	GAGHZLAVGLEBSN-AWEZNQCLSA-N	-1	0	289.331	2.536	20	30		CFEDRM
C=C1CCC(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1	ZINC000887326645	647272214	/nfs/dbraw/zinc/27/22/14/647272214.db2.gz	IWOWCGSPGNLTFI-CYBMUJFWSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000887325766	647272244	/nfs/dbraw/zinc/27/22/44/647272244.db2.gz	ZUWGLDXYZUFRPK-SECBINFHSA-N	-1	0	295.301	2.891	20	30		CFEDRM
C=CCC[C@@H](NC(=O)O[C@H](C)CC(C)C)C(=O)[O-]	ZINC000926464100	648497374	/nfs/dbraw/zinc/49/73/74/648497374.db2.gz	QNYCLTDCDCFTMA-GHMZBOCLSA-N	-1	0	257.330	2.567	20	30		CFEDRM
COc1ncc(-c2ccc(C(=O)[O-])c(F)c2F)cc1C#N	ZINC001243514209	782248997	/nfs/dbraw/zinc/24/89/97/782248997.db2.gz	LWHJGJYODICGDJ-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
C#CC[C@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229238690	776762391	/nfs/dbraw/zinc/76/23/91/776762391.db2.gz	IDDCOADGKANXKY-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
C=C(C)CN(CC)c1nc[n-]c2nc(=S)sc1-2	ZINC001167050772	769847665	/nfs/dbraw/zinc/84/76/65/769847665.db2.gz	HNVDJUPBKXTCJI-UHFFFAOYSA-N	-1	0	266.395	2.777	20	30		CFEDRM
CC(C)n1cc(Nc2cc(C#N)c(F)cc2[O-])cn1	ZINC001210323459	770262420	/nfs/dbraw/zinc/26/24/20/770262420.db2.gz	WLWTUYQPMQHRJB-UHFFFAOYSA-N	-1	0	260.272	2.924	20	30		CFEDRM
N#Cc1cnc2ccnn2c1Nc1cccc([S-])c1	ZINC001210945294	770401938	/nfs/dbraw/zinc/40/19/38/770401938.db2.gz	MKWFRQLGJBWQOL-UHFFFAOYSA-N	-1	0	267.317	2.633	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C2Cc3ccccc3C2)c1	ZINC000588458253	770750667	/nfs/dbraw/zinc/75/06/67/770750667.db2.gz	LZJXKBZLOHUNDO-YVLHZVERSA-N	-1	0	282.299	2.887	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000588477721	770802600	/nfs/dbraw/zinc/80/26/00/770802600.db2.gz	QKHJGYIFMQPCPW-ASCRHOAZSA-N	-1	0	293.388	2.706	20	30		CFEDRM
Cc1cc(Nc2cccnc2C#N)cc(C(=O)[O-])c1	ZINC001211537643	770855705	/nfs/dbraw/zinc/85/57/05/770855705.db2.gz	TZIUMUGVVHDEDC-UHFFFAOYSA-N	-1	0	253.261	2.704	20	30		CFEDRM
CC(C)(C)n1cc(/C=C\C(=O)c2cc(F)ccc2[O-])nn1	ZINC000588579196	775134479	/nfs/dbraw/zinc/13/44/79/775134479.db2.gz	OPPUAWBHBIOIKT-ALCCZGGFSA-N	-1	0	289.310	2.774	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCC[P@@](=O)([O-])O	ZINC001224603126	775224659	/nfs/dbraw/zinc/22/46/59/775224659.db2.gz	VLWXHXYWUOORMC-SDDRHHMPSA-N	-1	0	262.286	2.562	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2sccc2Cl)C(=O)O1	ZINC000588601443	775268915	/nfs/dbraw/zinc/26/89/15/775268915.db2.gz	MLQNVFHQQNYWHV-DLGQBQFBSA-N	-1	0	296.731	2.630	20	30		CFEDRM
C=C[C@@H](OCCCC[P@](=O)([O-])O)c1ccccc1	ZINC001225018830	775335965	/nfs/dbraw/zinc/33/59/65/775335965.db2.gz	IUZLMGWWQMWAOA-CYBMUJFWSA-N	-1	0	270.265	2.888	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225517820	775489086	/nfs/dbraw/zinc/48/90/86/775489086.db2.gz	OIUYBLLVZIIVOQ-VIFPVBQESA-N	-1	0	290.406	2.799	20	30		CFEDRM
C=C[C@@H](CCC)Oc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC001225979635	775656851	/nfs/dbraw/zinc/65/68/51/775656851.db2.gz	IJGPYDBXZNMMDW-ZETCQYMHSA-N	-1	0	262.231	2.935	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccccc1	ZINC001226009225	775665850	/nfs/dbraw/zinc/66/58/50/775665850.db2.gz	UXRDWOORQMLEBX-ZDUSSCGKSA-N	-1	0	283.262	2.832	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226009701	775666296	/nfs/dbraw/zinc/66/62/96/775666296.db2.gz	ZQKUNANTMHHCMD-NSHDSACASA-N	-1	0	274.295	2.781	20	30		CFEDRM
C[C@@H](Oc1[n-]c(=O)cc(C(F)(F)F)c1C#N)C1CC1	ZINC001226065238	775686608	/nfs/dbraw/zinc/68/66/08/775686608.db2.gz	SXTUQOLLNMPQDW-ZCFIWIBFSA-N	-1	0	272.226	2.855	20	30		CFEDRM
Cc1nn(C)cc1[C@@H](C)Oc1cccc(/C=N/O)c1	ZINC001226110407	775701997	/nfs/dbraw/zinc/70/19/97/775701997.db2.gz	RPADZIHTTIENPR-OXFWXOROSA-N	-1	0	259.309	2.677	20	30		CFEDRM
COc1ccc([C@@H](C)Oc2[n-]c(=O)cc(C)c2C#N)cn1	ZINC001226221612	775741469	/nfs/dbraw/zinc/74/14/69/775741469.db2.gz	NWPUSVAHIWQKLT-SNVBAGLBSA-N	-1	0	285.303	2.511	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC[C@H](C)Oc2ccccc2)c1C#N	ZINC001226223295	775742644	/nfs/dbraw/zinc/74/26/44/775742644.db2.gz	NMNJEMQXCXCQKQ-LBPRGKRZSA-N	-1	0	284.315	2.814	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)CC(C)(C)S)c1C#N	ZINC001226224057	775742717	/nfs/dbraw/zinc/74/27/17/775742717.db2.gz	ZLWWOJJPGYYGOC-VIFPVBQESA-N	-1	0	266.366	2.833	20	30		CFEDRM
N#CC1CCC(Oc2cc(=O)[n-]c(C(F)(F)F)n2)CC1	ZINC001226345106	775786804	/nfs/dbraw/zinc/78/68/04/775786804.db2.gz	YGBXQMCOFXIXHE-UHFFFAOYSA-N	-1	0	287.241	2.662	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407898	775809289	/nfs/dbraw/zinc/80/92/89/775809289.db2.gz	ANXJGCYYHMRJEA-SNVBAGLBSA-N	-1	0	260.268	2.655	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH]c(=O)nnc2C)C1	ZINC001226460405	775831495	/nfs/dbraw/zinc/83/14/95/775831495.db2.gz	CWEYLBSAELEHPL-VXGBXAGGSA-N	-1	0	261.325	2.565	20	30		CFEDRM
C=CC[C@@H](C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226550859	775869922	/nfs/dbraw/zinc/86/99/22/775869922.db2.gz	VKBUTQIHYJWIOO-SSDOTTSWSA-N	-1	0	265.700	2.727	20	30		CFEDRM
C=CCC(CC=C)Oc1nc[n-]c(=O)c1Br	ZINC001226719798	775938724	/nfs/dbraw/zinc/93/87/24/775938724.db2.gz	USJWUSJAGYVZAW-UHFFFAOYSA-N	-1	0	285.141	2.844	20	30		CFEDRM
C=CC[C@H](Oc1nc[n-]c(=O)c1Br)C(C)C	ZINC001226722075	775938062	/nfs/dbraw/zinc/93/80/62/775938062.db2.gz	NEJOYEUSVHMHFH-QMMMGPOBSA-N	-1	0	287.157	2.924	20	30		CFEDRM
C#C[C@@H](CCCC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226786887	775965634	/nfs/dbraw/zinc/96/56/34/775965634.db2.gz	GCCVUAPLHHFYJZ-VIFPVBQESA-N	-1	0	299.168	2.824	20	30		CFEDRM
C=CC[C@H](Oc1cc(=O)[n-]c(OC)n1)c1ccccc1	ZINC001227000544	776056299	/nfs/dbraw/zinc/05/62/99/776056299.db2.gz	MRPCGCKEYQCKBC-LBPRGKRZSA-N	-1	0	272.304	2.887	20	30		CFEDRM
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C#N)C1=CC=C[CH]1	ZINC001227312862	776176339	/nfs/dbraw/zinc/17/63/39/776176339.db2.gz	OSOBXARBVORTAF-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227347594	776181218	/nfs/dbraw/zinc/18/12/18/776181218.db2.gz	RBLWMGIJGOWCGV-FZMZJTMJSA-N	-1	0	268.316	2.825	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2ccc(C)cc21	ZINC001227346554	776181353	/nfs/dbraw/zinc/18/13/53/776181353.db2.gz	JYOKFGFSBDIXLD-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C[C@]1(C)CC[C@H](Oc2[n-]c(=S)nnc2C)C(C)(C)O1	ZINC001227602616	776239790	/nfs/dbraw/zinc/23/97/90/776239790.db2.gz	UHZBVHIBFWCNSN-IINYFYTJSA-N	-1	0	295.408	2.750	20	30		CFEDRM
C#CC[C@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605854	776241011	/nfs/dbraw/zinc/24/10/11/776241011.db2.gz	PWZHPJFHVWVHGU-LURJTMIESA-N	-1	0	261.108	2.670	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1nc(=O)[n-]c2c1COC2	ZINC001227686687	776258052	/nfs/dbraw/zinc/25/80/52/776258052.db2.gz	UWWPHURYZOJURZ-SUNKGSAMSA-N	-1	0	290.363	2.972	20	30		CFEDRM
C=CC[C@@H](CCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227713833	776267369	/nfs/dbraw/zinc/26/73/69/776267369.db2.gz	QUKHKKJXAGWMBD-ZJUUUORDSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=CCC[C@@H](CC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715851	776268604	/nfs/dbraw/zinc/26/86/04/776268604.db2.gz	HRCGTYXKPFOXQB-NXEZZACHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=CC[C@H](Oc1nc(=O)[n-]c2c1CO[C@@H]2C)C(C)C	ZINC001227715748	776268739	/nfs/dbraw/zinc/26/87/39/776268739.db2.gz	FWWPBAOJYZTSAD-KOLCDFICSA-N	-1	0	264.325	2.753	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227715729	776268860	/nfs/dbraw/zinc/26/88/60/776268860.db2.gz	FSFWZTGOVDVVDC-JGVFFNPUSA-N	-1	0	284.381	2.639	20	30		CFEDRM
C#C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C	ZINC001227743084	776276190	/nfs/dbraw/zinc/27/61/90/776276190.db2.gz	IQXGFEBPYNESFX-GFCCVEGCSA-N	-1	0	259.265	2.508	20	30		CFEDRM
CC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227809288	776297605	/nfs/dbraw/zinc/29/76/05/776297605.db2.gz	OBRMORIOEITUSQ-CYBMUJFWSA-N	-1	0	293.326	2.873	20	30		CFEDRM
CCCCCCCC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000385314342	776446977	/nfs/dbraw/zinc/44/69/77/776446977.db2.gz	DSCFPMFEWCKKET-UHFFFAOYSA-N	-1	0	257.374	2.964	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccccc1C#N	ZINC001228482050	776503464	/nfs/dbraw/zinc/50/34/64/776503464.db2.gz	IZRFUXLUNFQEPV-QMMMGPOBSA-N	-1	0	275.695	2.847	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc(N(C)C)c1	ZINC001228903364	776653136	/nfs/dbraw/zinc/65/31/36/776653136.db2.gz	XPKMRUIBAOBSAC-NSHDSACASA-N	-1	0	283.331	2.865	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	ZINC000722449805	776676807	/nfs/dbraw/zinc/67/68/07/776676807.db2.gz	SFVCTMYFZDNTHV-CHWSQXEVSA-N	-1	0	269.385	2.916	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137173	776730202	/nfs/dbraw/zinc/73/02/02/776730202.db2.gz	HICLTPBMWULVSV-SECBINFHSA-N	-1	0	260.293	2.687	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137891	776730971	/nfs/dbraw/zinc/73/09/71/776730971.db2.gz	PDVIYHSRZUEVPY-IINYFYTJSA-N	-1	0	284.315	2.525	20	30		CFEDRM
C[C@@H](Oc1cc(C#N)ccc1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001229186217	776746568	/nfs/dbraw/zinc/74/65/68/776746568.db2.gz	HTTOSBCQOBIAGL-SNVBAGLBSA-N	-1	0	255.253	2.934	20	30		CFEDRM
N#Cc1ccnnc1OC(=C([O-])c1ccco1)c1ccco1	ZINC001229604078	776855259	/nfs/dbraw/zinc/85/52/59/776855259.db2.gz	KGDAUCANGXMSPE-CQSZACIVSA-N	-1	0	295.254	2.537	20	30		CFEDRM
C=C1O[C@H](C)C(=O)C1Oc1ccc([S-])cc1C	ZINC001229634905	776862148	/nfs/dbraw/zinc/86/21/48/776862148.db2.gz	OAWUGQJBLXWKHW-MRVPVSSYSA-N	-1	0	250.319	2.882	20	30		CFEDRM
C#C[C@H](CCCCC)Oc1ccccc1-c1nn[nH]n1	ZINC001229953877	776922851	/nfs/dbraw/zinc/92/28/51/776922851.db2.gz	FNXNZQJUHJXZQN-GFCCVEGCSA-N	-1	0	270.336	2.828	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc[n-]c(=O)c1Cl	ZINC001230015004	776940299	/nfs/dbraw/zinc/94/02/99/776940299.db2.gz	RWXDTIIFYMHHAG-VIFPVBQESA-N	-1	0	254.717	2.797	20	30		CFEDRM
C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230241867	776964185	/nfs/dbraw/zinc/96/41/85/776964185.db2.gz	QWXCAFNHMURVFI-NXEZZACHSA-N	-1	0	281.743	2.910	20	30		CFEDRM
C=C[C@@H](Oc1ncc(C(=O)OC)[n-]1)c1ccccc1	ZINC001230282265	776972134	/nfs/dbraw/zinc/97/21/34/776972134.db2.gz	SXYVAZWOAHGFFK-GFCCVEGCSA-N	-1	0	258.277	2.502	20	30		CFEDRM
N#CC1CC(Oc2[n-]c(=O)nc3c4ccccc4oc32)C1	ZINC001230666889	777039308	/nfs/dbraw/zinc/03/93/08/777039308.db2.gz	ORDZEOKUIMWRST-UHFFFAOYSA-N	-1	0	281.271	2.763	20	30		CFEDRM
C#C[C@H](CCC)Oc1[n-]c(=O)nc2ccc(OC)cc21	ZINC001230861469	777076506	/nfs/dbraw/zinc/07/65/06/777076506.db2.gz	BCGQACRFICEMPP-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
C#C[C@H](Oc1[n-]c(=O)nc2cc(F)ccc21)C(C)C	ZINC001230883776	777082289	/nfs/dbraw/zinc/08/22/89/777082289.db2.gz	MKHPNXZQZCTCCB-LBPRGKRZSA-N	-1	0	260.268	2.511	20	30		CFEDRM
C#C[C@H](C)Oc1nc2cc(Cl)[n-]c(Cl)c-2n1	ZINC001231045242	777120814	/nfs/dbraw/zinc/12/08/14/777120814.db2.gz	UGDNFQNKXWKSAS-YFKPBYRVSA-N	-1	0	256.092	2.665	20	30		CFEDRM
C=CC[C@H](C=C)Oc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC001231226669	777175008	/nfs/dbraw/zinc/17/50/08/777175008.db2.gz	FFGWJKDUPUASNN-QMMMGPOBSA-N	-1	0	280.236	2.718	20	30		CFEDRM
CCCCCCCC[C@H](C)Oc1c([O-])c(=O)c1=O	ZINC001226604310	777585275	/nfs/dbraw/zinc/58/52/75/777585275.db2.gz	CUCYIJJJRZZYDV-JTQLQIEISA-N	-1	0	254.326	2.506	20	30		CFEDRM
CCCCCCCC[C@H](CC)Oc1c([O-])c(=O)c1=O	ZINC001226605627	777586660	/nfs/dbraw/zinc/58/66/60/777586660.db2.gz	IOLDULSLZUYJIG-NSHDSACASA-N	-1	0	268.353	2.896	20	30		CFEDRM
Cc1nc([C@H]2CCCCN2Cc2cc(C#N)ccc2[O-])no1	ZINC001232679244	777640687	/nfs/dbraw/zinc/64/06/87/777640687.db2.gz	HOXIDRIILXKULR-CQSZACIVSA-N	-1	0	298.346	2.683	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CC(Oc3ccccc3F)C2)c1	ZINC001232678985	777640925	/nfs/dbraw/zinc/64/09/25/777640925.db2.gz	XDTMCPHKLXGVJD-UHFFFAOYSA-N	-1	0	298.317	2.666	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(O)cc1	ZINC000212534237	777900520	/nfs/dbraw/zinc/90/05/20/777900520.db2.gz	WWTMZZWMIIXAFL-XFSBKJJWSA-N	-1	0	285.255	2.902	20	30		CFEDRM
N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccsc1	ZINC000714354918	778005739	/nfs/dbraw/zinc/00/57/39/778005739.db2.gz	PIKQNRZCOCEAHR-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
CCC#C[C@H](C)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234044495	778150979	/nfs/dbraw/zinc/15/09/79/778150979.db2.gz	LTOOVQXBNMQHIH-JTQLQIEISA-N	-1	0	272.304	2.530	20	30		CFEDRM
CCC[C@@H](C)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234511402	778240904	/nfs/dbraw/zinc/24/09/04/778240904.db2.gz	PDTWWMKZKVMJGR-SECBINFHSA-N	-1	0	257.293	2.774	20	30		CFEDRM
N#CCC1CN(Cc2cc(F)cc(Br)c2[O-])C1	ZINC001235297696	778448770	/nfs/dbraw/zinc/44/87/70/778448770.db2.gz	OZRBCRYPKKINOF-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
N#CCc1ccncc1-c1ccc(/C=C/C(=O)[O-])cc1	ZINC001235623335	778524622	/nfs/dbraw/zinc/52/46/22/778524622.db2.gz	QGZXSKFGSFCYKT-ZZXKWVIFSA-N	-1	0	264.284	2.912	20	30		CFEDRM
CCc1nc(C#N)c(C#N)nc1-c1cc([O-])cc(Cl)c1	ZINC001235900219	778599253	/nfs/dbraw/zinc/59/92/53/778599253.db2.gz	LZOIDWQEFJUJLS-UHFFFAOYSA-N	-1	0	284.706	2.808	20	30		CFEDRM
COc1cc(C#N)cnc1-c1c(F)cc(F)c([O-])c1F	ZINC001235986786	778640470	/nfs/dbraw/zinc/64/04/70/778640470.db2.gz	XLZINOQQODNELT-UHFFFAOYSA-N	-1	0	280.205	2.752	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc(C(=O)[O-])cc1	ZINC001236061600	778674190	/nfs/dbraw/zinc/67/41/90/778674190.db2.gz	ATBVZYQOBGJPHF-UHFFFAOYSA-N	-1	0	263.256	2.751	20	30		CFEDRM
Cc1c(Cl)c(-c2nnccc2C#N)ccc1C(=O)[O-]	ZINC001236109830	778698400	/nfs/dbraw/zinc/69/84/00/778698400.db2.gz	YTDGEDYCBCJZRP-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
Cc1c(Cl)c(-c2cncc(CC#N)n2)ccc1C(=O)[O-]	ZINC001236116651	778699265	/nfs/dbraw/zinc/69/92/65/778699265.db2.gz	YAZGNRGMXFCUND-UHFFFAOYSA-N	-1	0	287.706	2.870	20	30		CFEDRM
C=C/C(=N\COC)c1ccc(C(=O)[O-])c(C)c1Cl	ZINC001236114127	778699299	/nfs/dbraw/zinc/69/92/99/778699299.db2.gz	IOZVCXCLNXQJCN-RVDMUPIBSA-N	-1	0	267.712	2.926	20	30		CFEDRM
Cc1ccc(F)c(-c2ncnc3[nH]cc(C#N)c32)c1[O-]	ZINC001236391492	778800586	/nfs/dbraw/zinc/80/05/86/778800586.db2.gz	NOOFTIMWGSJUJR-UHFFFAOYSA-N	-1	0	268.251	2.650	20	30		CFEDRM
C[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])CC1(F)F	ZINC001232673493	778960489	/nfs/dbraw/zinc/96/04/89/778960489.db2.gz	IAMPYOURROIGCA-SNVBAGLBSA-N	-1	0	266.291	2.741	20	30		CFEDRM
Cc1ccc(CC(=O)Nc2cc(C#N)ccc2[O-])s1	ZINC000176403951	779124317	/nfs/dbraw/zinc/12/43/17/779124317.db2.gz	YCHBUCWTTUICPN-UHFFFAOYSA-N	-1	0	272.329	2.815	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000176510491	779213444	/nfs/dbraw/zinc/21/34/44/779213444.db2.gz	LPFBOQGUNCSPRZ-UHFFFAOYSA-N	-1	0	293.797	2.563	20	30		CFEDRM
N#C[C@@H]1C[C@H](F)CN1Cc1cc(F)c([O-])c(Cl)c1	ZINC001237992548	779223868	/nfs/dbraw/zinc/22/38/68/779223868.db2.gz	MABVQZFBXLXGPD-IUCAKERBSA-N	-1	0	272.682	2.621	20	30		CFEDRM
C=CCOc1ccccc1CNC(=O)C(F)(F)C(F)F	ZINC000176615367	779322630	/nfs/dbraw/zinc/32/26/30/779322630.db2.gz	PKTPMQKPPNHSGV-UHFFFAOYSA-N	-1	0	291.244	2.768	20	30		CFEDRM
N#CCc1cccnc1-c1ccc(C(=O)[O-])cc1F	ZINC001239245130	779482808	/nfs/dbraw/zinc/48/28/08/779482808.db2.gz	KNNHFMSWEZREJV-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1ccnc(-c2ccc(C(=O)[O-])cc2F)c1F	ZINC001239245070	779483081	/nfs/dbraw/zinc/48/30/81/779483081.db2.gz	HWMVFTSFCWNHBS-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#CCc1cccc(-c2ccc(C(=O)[O-])cc2F)n1	ZINC001239246454	779483853	/nfs/dbraw/zinc/48/38/53/779483853.db2.gz	BCSPVRNOMQIGQF-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])cc3F)cc12	ZINC001239260720	779489260	/nfs/dbraw/zinc/48/92/60/779489260.db2.gz	BMDAUZGGHWWGIG-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
Cc1ccc(C#N)c(-c2cc(F)c(C(=O)[O-])c(F)c2)n1	ZINC001239333155	779522764	/nfs/dbraw/zinc/52/27/64/779522764.db2.gz	DFUXUQDMISLTSL-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(O)c1	ZINC000213697170	779932865	/nfs/dbraw/zinc/93/28/65/779932865.db2.gz	QVUPTLZVEGFXOQ-XQRVVYSFSA-N	-1	0	285.255	2.902	20	30		CFEDRM
N#Cc1ccc(-c2ccccc2S(=O)(=O)[O-])cc1F	ZINC001240149880	779972172	/nfs/dbraw/zinc/97/21/72/779972172.db2.gz	LICVEAANXCIGBY-UHFFFAOYSA-N	-1	0	277.276	2.611	20	30		CFEDRM
N#Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)cn1	ZINC001240547942	780242521	/nfs/dbraw/zinc/24/25/21/780242521.db2.gz	CHQYADKREWAFAI-QPJJXVBHSA-N	-1	0	250.257	2.718	20	30		CFEDRM
COc1ccc(C#N)c(-c2cccc(/C=C/C(=O)[O-])c2)n1	ZINC001240551007	780245624	/nfs/dbraw/zinc/24/56/24/780245624.db2.gz	POMRBXJTRBYKLN-VMPITWQZSA-N	-1	0	280.283	2.727	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cc(F)ccc1[O-])CCC2	ZINC001240695046	780366193	/nfs/dbraw/zinc/36/61/93/780366193.db2.gz	AILQNQROXMBKTJ-UHFFFAOYSA-N	-1	0	254.264	2.954	20	30		CFEDRM
CN1C(=O)CCc2cc(Nc3scc([O-])c3C#N)ccc21	ZINC001213128636	780375697	/nfs/dbraw/zinc/37/56/97/780375697.db2.gz	IYJVEQAITXEITE-UHFFFAOYSA-N	-1	0	299.355	2.978	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ncc(C)cc1C#N	ZINC001240733141	780401102	/nfs/dbraw/zinc/40/11/02/780401102.db2.gz	HXZMGEXUWXHKQW-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc(C)c(C#N)c(C)n1	ZINC001240734878	780402175	/nfs/dbraw/zinc/40/21/75/780402175.db2.gz	GWEMGLLMJAUNCB-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cnccc1CC#N	ZINC001240736506	780402766	/nfs/dbraw/zinc/40/27/66/780402766.db2.gz	SGAKXAJSBNPETQ-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1cc2cc[nH]c2nc1C#N	ZINC001240738039	780405247	/nfs/dbraw/zinc/40/52/47/780405247.db2.gz	ZBDFAIOFEJQEEW-UHFFFAOYSA-N	-1	0	293.282	2.760	20	30		CFEDRM
CC#Cc1cncc(-c2ccc(C(=O)[O-])c(OC)c2)c1	ZINC001240745330	780411087	/nfs/dbraw/zinc/41/10/87/780411087.db2.gz	ZXJAFWCWHYIHOA-UHFFFAOYSA-N	-1	0	267.284	2.827	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc([O-])c(F)c2)n1	ZINC001240783559	780436146	/nfs/dbraw/zinc/43/61/46/780436146.db2.gz	URZMEWXNMCZMIE-UHFFFAOYSA-N	-1	0	261.281	2.582	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1ccc([O-])c(F)c1	ZINC001240786324	780440209	/nfs/dbraw/zinc/44/02/09/780440209.db2.gz	GWNWXRQLSBRWDM-UHFFFAOYSA-N	-1	0	253.236	2.898	20	30		CFEDRM
Cc1cc(C#N)c(-c2ccc(CC(=O)[O-])cc2)nc1C	ZINC001240971585	780559451	/nfs/dbraw/zinc/55/94/51/780559451.db2.gz	FERSRGLEZULTHH-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
N#Cc1c2c(cnc1-c1ccc(CC(=O)[O-])cc1)CCC2	ZINC001240974498	780563349	/nfs/dbraw/zinc/56/33/49/780563349.db2.gz	RMOHSRXLSHLVBM-UHFFFAOYSA-N	-1	0	278.311	2.736	20	30		CFEDRM
N#CCOc1ccccc1-c1ccc(CC(=O)[O-])cc1	ZINC001240975616	780564739	/nfs/dbraw/zinc/56/47/39/780564739.db2.gz	UCYDRINFFLFRFP-UHFFFAOYSA-N	-1	0	267.284	2.883	20	30		CFEDRM
Cc1cnc(-c2cc(C(=O)[O-])ccc2C)c(/C=N/O)c1	ZINC001240998820	780582560	/nfs/dbraw/zinc/58/25/60/780582560.db2.gz	CAIAWXWDLRQFBG-CAOOACKPSA-N	-1	0	270.288	2.872	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cncc(CC#N)c1	ZINC001241002271	780585877	/nfs/dbraw/zinc/58/58/77/780585877.db2.gz	VMUCVJAOIIIAJS-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cn1	ZINC001241186121	780691265	/nfs/dbraw/zinc/69/12/65/780691265.db2.gz	XGNMYWAOTAVBQA-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(F)c(C(=O)[O-])c2)n1	ZINC001241242932	780726589	/nfs/dbraw/zinc/72/65/89/780726589.db2.gz	CVPSGSWACFVBEY-UHFFFAOYSA-N	-1	0	289.291	2.574	20	30		CFEDRM
CCc1nnc(-c2ccc(F)c(C(=O)[O-])c2)c(C#N)c1CC	ZINC001241245168	780730380	/nfs/dbraw/zinc/73/03/80/780730380.db2.gz	PVMKWAIASQAHBM-UHFFFAOYSA-N	-1	0	299.305	2.977	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(F)c(C(=O)[O-])c3)c12	ZINC001241246310	780731410	/nfs/dbraw/zinc/73/14/10/780731410.db2.gz	SDIIBMHEANUIFA-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
N#Cc1cc(-c2c(F)ccc([O-])c2F)nc(C2CC2)n1	ZINC001241291398	780761326	/nfs/dbraw/zinc/76/13/26/780761326.db2.gz	OFZLDXPIJTVXRV-UHFFFAOYSA-N	-1	0	273.242	2.876	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)nc(C#N)n1	ZINC001241347258	780801575	/nfs/dbraw/zinc/80/15/75/780801575.db2.gz	VXZKPEDBHKAQLI-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1cccc(C(=O)[O-])c1	ZINC001241359132	780808774	/nfs/dbraw/zinc/80/87/74/780808774.db2.gz	VWTDLTALXNCGCN-UHFFFAOYSA-N	-1	0	263.256	2.751	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1CC#N	ZINC001241360366	780811294	/nfs/dbraw/zinc/81/12/94/780811294.db2.gz	JTWYOLDURPVFOD-UHFFFAOYSA-N	-1	0	295.294	2.904	20	30		CFEDRM
COc1cc(-c2ccc(/C=N/[O-])c(F)c2)c(F)cn1	ZINC001241663293	781055520	/nfs/dbraw/zinc/05/55/20/781055520.db2.gz	DDWFGJGSSXTOME-UBKPWBPPSA-N	-1	0	264.231	2.844	20	30		CFEDRM
N#Cc1cc2ccccc2nc1-c1cncc(C(=O)[O-])c1	ZINC001241797029	781130645	/nfs/dbraw/zinc/13/06/45/781130645.db2.gz	GNUPRZPZIQETBN-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#CCCc1ccc(-c2cncc(C(=O)[O-])c2)cc1	ZINC001241802247	781133271	/nfs/dbraw/zinc/13/32/71/781133271.db2.gz	UOZQGZDZWGHPFG-UHFFFAOYSA-N	-1	0	252.273	2.903	20	30		CFEDRM
CCc1nnc(-c2cc(F)cc(C(=O)[O-])c2)c(C#N)c1CC	ZINC001241821072	781143776	/nfs/dbraw/zinc/14/37/76/781143776.db2.gz	JJJLCIHMCQEWBQ-UHFFFAOYSA-N	-1	0	299.305	2.977	20	30		CFEDRM
N#Cc1nc2[nH]ccc2cc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241833796	781148540	/nfs/dbraw/zinc/14/85/40/781148540.db2.gz	HHDXEQIHDUVIDS-UHFFFAOYSA-N	-1	0	281.246	2.890	20	30		CFEDRM
C=CCNC(=O)c1cccnc1-c1ccc(F)cc1[O-]	ZINC001242218304	781333024	/nfs/dbraw/zinc/33/30/24/781333024.db2.gz	RGYWPMAKBZTARG-UHFFFAOYSA-N	-1	0	272.279	2.509	20	30		CFEDRM
COc1nc(C)c(-c2cccc(CC(=O)[O-])c2)c(C)c1C#N	ZINC001242261705	781347285	/nfs/dbraw/zinc/34/72/85/781347285.db2.gz	BPGDXWBLVSYEEC-UHFFFAOYSA-N	-1	0	296.326	2.873	20	30		CFEDRM
Cc1cc(-c2cccc(CC(=O)[O-])c2)nc(C)c1C#N	ZINC001242262722	781348036	/nfs/dbraw/zinc/34/80/36/781348036.db2.gz	OEMRBSQPNZNPAH-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
N#CCCc1cccc(-c2ccc(C(=O)[O-])nc2)c1	ZINC001242335455	781406543	/nfs/dbraw/zinc/40/65/43/781406543.db2.gz	FPAPXPPWMUGMTG-UHFFFAOYSA-N	-1	0	252.273	2.903	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3cccc(Cl)c3[O-])ncc12	ZINC001242364922	781437193	/nfs/dbraw/zinc/43/71/93/781437193.db2.gz	MRQDAIRXYVXCCQ-UHFFFAOYSA-N	-1	0	270.679	2.856	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(C(=O)[O-])c1F	ZINC001242380408	781449362	/nfs/dbraw/zinc/44/93/62/781449362.db2.gz	KTSZXTXPULRVLG-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(C)c(C#N)n1	ZINC001242387091	781456363	/nfs/dbraw/zinc/45/63/63/781456363.db2.gz	HKAHZLYKRQAXDW-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C)ccc1CC#N	ZINC001242389752	781459552	/nfs/dbraw/zinc/45/95/52/781459552.db2.gz	JASVOAVFVUTPMQ-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000738471363	781496822	/nfs/dbraw/zinc/49/68/22/781496822.db2.gz	SDLOCAVEMPUGEB-UHFFFAOYSA-N	-1	0	291.351	2.884	20	30		CFEDRM
Cc1ccc(C#N)cc1-c1cnc(C(=O)[O-])c(C)c1	ZINC001242542649	781581587	/nfs/dbraw/zinc/58/15/87/781581587.db2.gz	NCNIXGZTVAMYDX-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CCCNc1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562320	781600477	/nfs/dbraw/zinc/60/04/77/781600477.db2.gz	SAQDFBKYXLGERI-UHFFFAOYSA-N	-1	0	254.293	2.543	20	30		CFEDRM
CC(C)(C)OC(=O)c1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242563476	781602345	/nfs/dbraw/zinc/60/23/45/781602345.db2.gz	YJLIOVWBZDHCTJ-UHFFFAOYSA-N	-1	0	297.314	2.676	20	30		CFEDRM
C=CC[C@@H](NC(=O)[C@@H](C)CCc1ccc(F)cc1)C(=O)[O-]	ZINC001118913523	781732238	/nfs/dbraw/zinc/73/22/38/781732238.db2.gz	KBXQGAHSUQUDTH-SMDDNHRTSA-N	-1	0	293.338	2.540	20	30		CFEDRM
COc1nc(C)nc(-c2cccc([O-])c2Cl)c1C#N	ZINC001242796954	781764462	/nfs/dbraw/zinc/76/44/62/781764462.db2.gz	DDRJAVZCAXQILW-UHFFFAOYSA-N	-1	0	275.695	2.691	20	30		CFEDRM
Cc1cc(C#N)c(-c2ccccc2C(=O)[O-])nc1C	ZINC001242877630	781816050	/nfs/dbraw/zinc/81/60/50/781816050.db2.gz	NNMFRZLJDTVJGN-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc2[nH]c(C#N)cc2n1	ZINC001242920362	781842228	/nfs/dbraw/zinc/84/22/28/781842228.db2.gz	BZHIWSLBBCEEOQ-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccnc(C)c1C#N	ZINC001242926117	781848443	/nfs/dbraw/zinc/84/84/43/781848443.db2.gz	FNKRWXRZFGDKGG-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
CC(C)[C@@H](CNc1c(Cl)cccc1C#N)C(=O)[O-]	ZINC000594541177	349444272	/nfs/dbraw/zinc/44/42/72/349444272.db2.gz	QLTWWRLDBFAGPK-SNVBAGLBSA-N	-1	0	266.728	2.980	20	30		CFEDRM
CC(C)(C)n1cc(-c2ccc(O)c(C#N)c2)c(C(=O)[O-])n1	ZINC000594874202	349491727	/nfs/dbraw/zinc/49/17/27/349491727.db2.gz	XGBIWNRNGNJZKF-UHFFFAOYSA-N	-1	0	285.303	2.581	20	30		CFEDRM
C[C@@H](CC(=O)[O-])n1cc(-c2ccc(C#N)s2)cn1	ZINC000594873441	349491736	/nfs/dbraw/zinc/49/17/36/349491736.db2.gz	XCOWJDVYMFXZEJ-QMMMGPOBSA-N	-1	0	261.306	2.519	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])c(C#N)c1	ZINC000127731675	187329351	/nfs/dbraw/zinc/32/93/51/187329351.db2.gz	PUJVSIAOBWNFAG-UHFFFAOYSA-N	-1	0	277.280	2.522	20	30		CFEDRM
N#CC1(CC(=O)NCCCCCC(=O)[O-])CCCCC1	ZINC000595281146	349590222	/nfs/dbraw/zinc/59/02/22/349590222.db2.gz	KICFKEWOXHEMNP-UHFFFAOYSA-N	-1	0	280.368	2.612	20	30		CFEDRM
N#Cc1cnc2ccccc2c1NCCCCC(=O)[O-]	ZINC000070200387	346908024	/nfs/dbraw/zinc/90/80/24/346908024.db2.gz	GHPUDOOVPRVIGF-UHFFFAOYSA-N	-1	0	269.304	2.773	20	30		CFEDRM
CC(C)C[C@H](CNc1nc2ncccc2cc1C#N)C(=O)[O-]	ZINC000595969962	349773010	/nfs/dbraw/zinc/77/30/10/349773010.db2.gz	SDCAGPKNCMBKDE-CYBMUJFWSA-N	-1	0	298.346	2.660	20	30		CFEDRM
N#Cc1cnc(N2CCC[C@@H](CCC(=O)[O-])C2)c(Cl)c1	ZINC000595975247	349773897	/nfs/dbraw/zinc/77/38/97/349773897.db2.gz	PBHMFWPNKCDJSL-JTQLQIEISA-N	-1	0	293.754	2.688	20	30		CFEDRM
N#Cc1cc(F)c(NC[C@H](C(=O)[O-])C2CCC2)c(F)c1	ZINC000595977288	349773940	/nfs/dbraw/zinc/77/39/40/349773940.db2.gz	HDQWEBMJROTPIG-JTQLQIEISA-N	-1	0	280.274	2.749	20	30		CFEDRM
N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)CCCCF	ZINC000596041954	349779790	/nfs/dbraw/zinc/77/97/90/349779790.db2.gz	ORAVONGJUOHRNM-UHFFFAOYSA-N	-1	0	290.747	2.703	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1ccc(Cl)cc1C#N	ZINC000596042269	349779951	/nfs/dbraw/zinc/77/99/51/349779951.db2.gz	SGWYPVTXPRKKMI-UHFFFAOYSA-N	-1	0	284.768	2.920	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000668288857	539412260	/nfs/dbraw/zinc/41/22/60/539412260.db2.gz	ISPNFRZCFFIDTB-MRVPVSSYSA-N	-1	0	273.741	2.551	20	30		CFEDRM
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1	ZINC000089490561	260236978	/nfs/dbraw/zinc/23/69/78/260236978.db2.gz	DRLNUZKSMMVVLM-UHFFFAOYSA-N	-1	0	299.396	2.690	20	30		CFEDRM
COc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1	ZINC000041543434	346352678	/nfs/dbraw/zinc/35/26/78/346352678.db2.gz	YDADOKNAABZIEA-NSHDSACASA-N	-1	0	293.282	2.721	20	30		CFEDRM
CCc1noc(C)c1C([O-])=C(C#N)c1nc(C)cs1	ZINC000048787313	346477090	/nfs/dbraw/zinc/47/70/90/346477090.db2.gz	BUSMYENTDBNSIQ-VIFPVBQESA-N	-1	0	275.333	2.800	20	30		CFEDRM
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=CC2CC2)cc1	ZINC000076757805	347151895	/nfs/dbraw/zinc/15/18/95/347151895.db2.gz	YXKRWHFEISEHBM-RUDMXATFSA-N	-1	0	293.344	2.501	20	30		CFEDRM
COc1csc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1	ZINC000080255411	347352029	/nfs/dbraw/zinc/35/20/29/347352029.db2.gz	PJXFQVWUSJGJMA-NSHDSACASA-N	-1	0	287.344	2.654	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2cc(C#N)cs2)nc(C)n1	ZINC000083938174	347455059	/nfs/dbraw/zinc/45/50/59/347455059.db2.gz	OWWRUOASQVZCTP-LLVKDONJSA-N	-1	0	282.328	2.517	20	30		CFEDRM
CC(C)[C@H](CNc1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000087505683	347496192	/nfs/dbraw/zinc/49/61/92/347496192.db2.gz	BWUWWOBUIFLDAQ-NSHDSACASA-N	-1	0	266.728	2.980	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000089285143	347515106	/nfs/dbraw/zinc/51/51/06/347515106.db2.gz	LCTQBVWDAHNWKF-IUCAKERBSA-N	-1	0	299.314	2.827	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1	ZINC000089285372	347515175	/nfs/dbraw/zinc/51/51/75/347515175.db2.gz	MOPSMAPJYOWXAP-UHFFFAOYSA-N	-1	0	259.371	2.675	20	30		CFEDRM
N#Cc1cc(F)c(NCCCCC(=O)[O-])c(F)c1	ZINC000133562294	347892902	/nfs/dbraw/zinc/89/29/02/347892902.db2.gz	LIKHVBLQUNUBLH-UHFFFAOYSA-N	-1	0	254.236	2.503	20	30		CFEDRM
N#CCCCN=c1nc(C2CCCCC2)[n-]s1	ZINC000420610512	348608813	/nfs/dbraw/zinc/60/88/13/348608813.db2.gz	KLXBQMGCDBWUDR-UHFFFAOYSA-N	-1	0	250.371	2.723	20	30		CFEDRM
CC(C)=C[C@@H]1[C@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1(C)C	ZINC000588766750	348795313	/nfs/dbraw/zinc/79/53/13/348795313.db2.gz	LNQLQKVGIMPFHW-CHWSQXEVSA-N	-1	0	298.390	2.758	20	30		CFEDRM
N#Cc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)n1	ZINC000589528105	348838143	/nfs/dbraw/zinc/83/81/43/348838143.db2.gz	QCDOHVDUSVMZHQ-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#CC(=C([O-])c1cnc(C2CC2)s1)c1ccccn1	ZINC000591862702	349051891	/nfs/dbraw/zinc/05/18/91/349051891.db2.gz	ZERUGEPILWQUOI-SNVBAGLBSA-N	-1	0	269.329	2.906	20	30		CFEDRM
N#C[C@@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591269698	349004937	/nfs/dbraw/zinc/00/49/37/349004937.db2.gz	QHNPCKCVHIXZRE-TZMCWYRMSA-N	-1	0	258.321	2.808	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1SC	ZINC000592353395	349106848	/nfs/dbraw/zinc/10/68/48/349106848.db2.gz	DVZAAOYRXJHTEC-VIFPVBQESA-N	-1	0	288.369	2.591	20	30		CFEDRM
C=CCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000592976272	349179264	/nfs/dbraw/zinc/17/92/64/349179264.db2.gz	YCVZHHIHMNMNKM-UHFFFAOYSA-N	-1	0	264.281	2.614	20	30		CFEDRM
N#CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000594457549	349425895	/nfs/dbraw/zinc/42/58/95/349425895.db2.gz	LEECDANCBMJHBC-UHFFFAOYSA-N	-1	0	264.256	2.546	20	30		CFEDRM
N#CCCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000594468011	349427957	/nfs/dbraw/zinc/42/79/57/349427957.db2.gz	WOYOLYNBKKOGDH-ZDUSSCGKSA-N	-1	0	286.331	2.675	20	30		CFEDRM
C[C@H](CC#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000597520877	350108202	/nfs/dbraw/zinc/10/82/02/350108202.db2.gz	MIYXIZVXNAHGLO-ZCFIWIBFSA-N	-1	0	256.664	2.673	20	30		CFEDRM
O=C1CCC(/C([O-])=N/Cc2cn3ccsc3n2)CC1	ZINC000329856706	539749271	/nfs/dbraw/zinc/74/92/71/539749271.db2.gz	YKKQKBGRHHCBMV-UHFFFAOYSA-N	-1	0	277.349	2.612	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1	ZINC000597998267	350176483	/nfs/dbraw/zinc/17/64/83/350176483.db2.gz	MXJSKXBBPJQBTA-LLVKDONJSA-N	-1	0	290.319	2.729	20	30		CFEDRM
N#CC1(CC(=O)N=c2ccc(C3CC3)n[n-]2)CCCCC1	ZINC000598812235	350332546	/nfs/dbraw/zinc/33/25/46/350332546.db2.gz	FGXNGDVCHQSCDD-UHFFFAOYSA-N	-1	0	284.363	2.579	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000599713168	350487799	/nfs/dbraw/zinc/48/77/99/350487799.db2.gz	DSFXBPUCVYJZGN-UHFFFAOYSA-N	-1	0	277.280	2.569	20	30		CFEDRM
C=CC(C)(C)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600677702	350595455	/nfs/dbraw/zinc/59/54/55/350595455.db2.gz	JZDVKOZGXVLFFW-UHFFFAOYSA-N	-1	0	279.296	2.702	20	30		CFEDRM
Cc1ccc(C[S@@](=O)[C@H](CC(C)C)C(=O)[O-])cc1C#N	ZINC000600881566	350622718	/nfs/dbraw/zinc/62/27/18/350622718.db2.gz	WXBXIFONCHSISK-JLTOFOAXSA-N	-1	0	293.388	2.615	20	30		CFEDRM
C[C@H]1CN(c2cc(C#N)nc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000600803809	350614734	/nfs/dbraw/zinc/61/47/34/350614734.db2.gz	ZEIYQACSNBESLG-AAEUAGOBSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2ccc(C3(C#N)CC3)cc2)o1	ZINC000601064125	350656893	/nfs/dbraw/zinc/65/68/93/350656893.db2.gz	MRQVNMIGJJOHHW-RISCZKNCSA-N	-1	0	294.358	2.782	20	30		CFEDRM
CC(C)C[C@H](Nc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000111026040	186345870	/nfs/dbraw/zinc/34/58/70/186345870.db2.gz	PDTVZLTYIJJADY-LBPRGKRZSA-N	-1	0	250.273	2.609	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000601430263	350732268	/nfs/dbraw/zinc/73/22/68/350732268.db2.gz	UWLUXYVEEZJTOQ-UHFFFAOYSA-N	-1	0	262.265	2.595	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)cc(F)c2F)c(=O)c1CCC#N	ZINC000601948448	350815305	/nfs/dbraw/zinc/81/53/05/350815305.db2.gz	GTYULGWTOMIZGV-VIFPVBQESA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)c(F)cc2F)c(=O)c1CCC#N	ZINC000601948649	350815632	/nfs/dbraw/zinc/81/56/32/350815632.db2.gz	XCBSZDOFNWEJIG-QMMMGPOBSA-N	-1	0	281.237	2.746	20	30		CFEDRM
COc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1Cl	ZINC000601948845	350815966	/nfs/dbraw/zinc/81/59/66/350815966.db2.gz	MEVWSQIHVYKBKL-NSHDSACASA-N	-1	0	291.738	2.991	20	30		CFEDRM
Cc1[n-]n(-c2cc(F)c(F)c(F)c2)c(=O)c1CCC#N	ZINC000601951120	350816905	/nfs/dbraw/zinc/81/69/05/350816905.db2.gz	ZLWJGNBCGKDCQW-VIFPVBQESA-N	-1	0	281.237	2.746	20	30		CFEDRM
Cc1c(C#N)c(NCCCCCC(=O)[O-])nc2ccccc12	ZINC000416427732	233580693	/nfs/dbraw/zinc/58/06/93/233580693.db2.gz	QRTGTXIBCMSYJI-UHFFFAOYSA-N	-1	0	297.358	2.894	20	30		CFEDRM
C[C@H](CC#N)n1[n-]c(-c2cccc(Cl)c2)cc1=O	ZINC000601935711	350807539	/nfs/dbraw/zinc/80/75/39/350807539.db2.gz	MDPKKFVYFNHBFE-SECBINFHSA-N	-1	0	261.712	2.579	20	30		CFEDRM
CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCC[C@@H]1C#N	ZINC000602979000	351079868	/nfs/dbraw/zinc/07/98/68/351079868.db2.gz	ZTSZYSUFWYDICH-KOLCDFICSA-N	-1	0	288.376	2.521	20	30		CFEDRM
C=CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC1	ZINC000271424005	191129897	/nfs/dbraw/zinc/12/98/97/191129897.db2.gz	QOAUZIBAYRTKLU-UHFFFAOYSA-N	-1	0	269.703	2.975	20	30		CFEDRM
CCOc1ccc(-n2[n-]c(C)c(CCC#N)c2=O)cc1	ZINC000603921278	351191975	/nfs/dbraw/zinc/19/19/75/351191975.db2.gz	ORAOMDMOFAHPFB-CQSZACIVSA-N	-1	0	271.320	2.728	20	30		CFEDRM
CCSCC[C@@H](C)NC(=O)c1cc(O)cc(C#N)c1	ZINC000614370556	352086252	/nfs/dbraw/zinc/08/62/52/352086252.db2.gz	BWQFUWANZWYLHW-SNVBAGLBSA-N	-1	0	278.377	2.525	20	30		CFEDRM
CCc1ccc(C(=O)N[C@@H](C#N)CC(C)C)c(O)c1	ZINC000615745572	352237663	/nfs/dbraw/zinc/23/76/63/352237663.db2.gz	IWNKFOKWUKZTSQ-GFCCVEGCSA-N	-1	0	260.337	2.623	20	30		CFEDRM
C=CCCNC(=O)CCCc1ccc(O)c(F)c1	ZINC000617617356	352605727	/nfs/dbraw/zinc/60/57/27/352605727.db2.gz	CJRSOGNTMOIKHY-UHFFFAOYSA-N	-1	0	251.301	2.546	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2c([O-])cccc2F)C1	ZINC000617780385	352643832	/nfs/dbraw/zinc/64/38/32/352643832.db2.gz	UTDDOUCZIUDQKT-LLVKDONJSA-N	-1	0	263.312	2.960	20	30		CFEDRM
C=C(CC)CN=c1nc(Cc2ccc(F)cc2)o[n-]1	ZINC000621325430	353323627	/nfs/dbraw/zinc/32/36/27/353323627.db2.gz	XHLGFRRCEZQKRS-UHFFFAOYSA-N	-1	0	261.300	2.600	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC000621579885	353381686	/nfs/dbraw/zinc/38/16/86/353381686.db2.gz	DIEZSEGJQRBXQA-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])C1CCCCC1	ZINC000621585751	353382461	/nfs/dbraw/zinc/38/24/61/353382461.db2.gz	JKJAXVSUYVSZSR-AWEZNQCLSA-N	-1	0	279.380	2.905	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2ocnc2C(F)F)nc(C)n1	ZINC000626292764	354246223	/nfs/dbraw/zinc/24/62/23/354246223.db2.gz	BPDQPOOUBFEFHF-QMMMGPOBSA-N	-1	0	292.245	2.509	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1	ZINC000628490113	354605939	/nfs/dbraw/zinc/60/59/39/354605939.db2.gz	PUMKUEOISTZAMK-QMMMGPOBSA-N	-1	0	285.265	2.848	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C1	ZINC000628492477	354607916	/nfs/dbraw/zinc/60/79/16/354607916.db2.gz	VSWXRQTYGWHYSM-ZETCQYMHSA-N	-1	0	272.757	2.540	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1	ZINC000630258143	355034087	/nfs/dbraw/zinc/03/40/87/355034087.db2.gz	KGBVXUZGQVIEEY-VIFPVBQESA-N	-1	0	281.283	2.582	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000630266461	355035219	/nfs/dbraw/zinc/03/52/19/355035219.db2.gz	DZOFPKKMIMMZCL-GXTWGEPZSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=C(C)CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000630287954	355037933	/nfs/dbraw/zinc/03/79/33/355037933.db2.gz	FTLWTUBAKWFIJQ-SNVBAGLBSA-N	-1	0	279.361	2.558	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000630289061	355038774	/nfs/dbraw/zinc/03/87/74/355038774.db2.gz	MYIGBDJHIFHJFA-CYBMUJFWSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1ccc(CCC)s1)C(=O)[O-]	ZINC000630182197	355024350	/nfs/dbraw/zinc/02/43/50/355024350.db2.gz	MXMNOWRLDFOWOS-NSHDSACASA-N	-1	0	281.377	2.850	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C1(C(=O)[O-])CCCC1	ZINC000630313497	355048665	/nfs/dbraw/zinc/04/86/65/355048665.db2.gz	IMLNJRQSDWNVEY-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)c1cccc(C(=O)[O-])n1	ZINC000630313152	355048729	/nfs/dbraw/zinc/04/87/29/355048729.db2.gz	DVQVKRRCYSZUBD-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-]	ZINC000630319655	355049987	/nfs/dbraw/zinc/04/99/87/355049987.db2.gz	FFSHDQWETRNYJU-GXFFZTMASA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(C)c(C)s1)C(=O)[O-]	ZINC000630319055	355050059	/nfs/dbraw/zinc/05/00/59/355050059.db2.gz	RDCOMOGXMTYQKM-JTQLQIEISA-N	-1	0	267.350	2.514	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)C(=O)[O-]	ZINC000630320173	355050073	/nfs/dbraw/zinc/05/00/73/355050073.db2.gz	QFGQCUPVEKHIQN-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)C(=O)[O-]	ZINC000630319945	355050242	/nfs/dbraw/zinc/05/02/42/355050242.db2.gz	LKYJRDDGQKKTCG-TZMCWYRMSA-N	-1	0	297.395	2.650	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1cccc(C2CC2)c1)C(=O)[O-]	ZINC000630321702	355050965	/nfs/dbraw/zinc/05/09/65/355050965.db2.gz	LTGFHRCZVOMVRR-HNNXBMFYSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630320704	355051007	/nfs/dbraw/zinc/05/10/07/355051007.db2.gz	AFHGBBYQFRPLGP-QWHCGFSZSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000630322847	355051626	/nfs/dbraw/zinc/05/16/26/355051626.db2.gz	WWIBANCZGJCVHU-CYBMUJFWSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(=O)[O-]	ZINC000630322393	355051687	/nfs/dbraw/zinc/05/16/87/355051687.db2.gz	RNVWYQLSYMSCEF-ZNMIVQPWSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C)c(OCC)c1)C(=O)[O-]	ZINC000630327329	355053016	/nfs/dbraw/zinc/05/30/16/355053016.db2.gz	ZFWCWZQUBXRZOJ-CYBMUJFWSA-N	-1	0	291.347	2.543	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(C(=O)[O-])s1	ZINC000630462818	355089897	/nfs/dbraw/zinc/08/98/97/355089897.db2.gz	XUATXFKWSBETKP-DTORHVGOSA-N	-1	0	250.323	2.529	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)NCc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000630484199	355093026	/nfs/dbraw/zinc/09/30/26/355093026.db2.gz	UHRFCBWHJGGMSS-AWEZNQCLSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)C1	ZINC000632843958	355758458	/nfs/dbraw/zinc/75/84/58/355758458.db2.gz	YZOUICKEMBHCJV-UHFFFAOYSA-N	-1	0	298.346	2.781	20	30		CFEDRM
C=CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000670370103	540952560	/nfs/dbraw/zinc/95/25/60/540952560.db2.gz	XMLFGCDILVAQNB-VMPITWQZSA-N	-1	0	298.298	2.616	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CCCC1	ZINC000666108460	540991778	/nfs/dbraw/zinc/99/17/78/540991778.db2.gz	MGQFKCLYODHMDL-UONOGXRCSA-N	-1	0	291.391	2.906	20	30		CFEDRM
C=CCC1(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCCC1	ZINC000666108459	540991841	/nfs/dbraw/zinc/99/18/41/540991841.db2.gz	MGQFKCLYODHMDL-KGLIPLIRSA-N	-1	0	291.391	2.906	20	30		CFEDRM
N#Cc1cc(-c2ccc(F)c([O-])c2)nc(C2CC2)n1	ZINC001243051534	781957169	/nfs/dbraw/zinc/95/71/69/781957169.db2.gz	VLYQCBIJHGPMCC-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
CCCn1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435337426	240303199	/nfs/dbraw/zinc/30/31/99/240303199.db2.gz	VWZZIHRWIAPRGN-FLIBITNWSA-N	-1	0	282.347	2.722	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C	ZINC000016101061	372099783	/nfs/dbraw/zinc/09/97/83/372099783.db2.gz	CWSCBOXYWHMWFN-UHFFFAOYSA-N	-1	0	286.356	2.976	20	30		CFEDRM
CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnn2)s1	ZINC000529011021	383684980	/nfs/dbraw/zinc/68/49/80/383684980.db2.gz	UUDYTMIXCHITJE-SECBINFHSA-N	-1	0	286.360	2.721	20	30		CFEDRM
CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1	ZINC000041520325	372845813	/nfs/dbraw/zinc/84/58/13/372845813.db2.gz	RBGUSINHMRYYOT-CYBMUJFWSA-N	-1	0	299.355	2.900	20	30		CFEDRM
CCc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)s1	ZINC000049044623	373256137	/nfs/dbraw/zinc/25/61/37/373256137.db2.gz	OJLZJIFHLHGUCE-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
Cc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1	ZINC000049513634	373305981	/nfs/dbraw/zinc/30/59/81/373305981.db2.gz	UFILGYKMONBDDB-UHFFFAOYSA-N	-1	0	281.377	2.962	20	30		CFEDRM
CCC[C@@H](CC(C)C)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000451724748	383691919	/nfs/dbraw/zinc/69/19/19/383691919.db2.gz	LKLILUIBAMHAJY-LBPRGKRZSA-N	-1	0	288.395	2.982	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000061834720	373728795	/nfs/dbraw/zinc/72/87/95/373728795.db2.gz	YLCUPLCMVCNLTA-MRVPVSSYSA-N	-1	0	280.711	2.651	20	30		CFEDRM
Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000083764885	374755116	/nfs/dbraw/zinc/75/51/16/374755116.db2.gz	JJFXDENSDJMYJJ-LLVKDONJSA-N	-1	0	290.282	2.528	20	30		CFEDRM
N#CC(=C([O-])c1cc(C#N)cs1)c1nc2ccccc2[nH]1	ZINC000083937558	374758312	/nfs/dbraw/zinc/75/83/12/374758312.db2.gz	IDFSEGJDQRWCBS-JTQLQIEISA-N	-1	0	292.323	2.986	20	30		CFEDRM
C=CCOc1ccc(C(=O)NC(CC)(CC)C(=O)[O-])cc1	ZINC000094240206	375347386	/nfs/dbraw/zinc/34/73/86/375347386.db2.gz	DIQSFZDIJPKURM-UHFFFAOYSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCN=c1[n-]nc(SCCOC2CCCC2)s1	ZINC000431938746	383708223	/nfs/dbraw/zinc/70/82/23/383708223.db2.gz	PGXLTPYNRAEFBL-UHFFFAOYSA-N	-1	0	285.438	2.609	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2ccccc2)c1	ZINC000100484876	375623217	/nfs/dbraw/zinc/62/32/17/375623217.db2.gz	STZBQLAYJVTDNW-GDNBJRDFSA-N	-1	0	256.261	2.920	20	30		CFEDRM
Oc1ccc(/C=N/CC2(C3CC3)CCC2)c(O)c1O	ZINC000129576908	377447123	/nfs/dbraw/zinc/44/71/23/377447123.db2.gz	XKFSMAOAMZQAFR-LZYBPNLTSA-N	-1	0	261.321	2.803	20	30		CFEDRM
COc1cc(CNc2ccc(C#N)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000132855010	377882156	/nfs/dbraw/zinc/88/21/56/377882156.db2.gz	YKLZHAAAKMKJNF-UHFFFAOYSA-N	-1	0	299.286	2.793	20	30		CFEDRM
CSc1nc(=NC(=O)NCC2CCCCC2)s[n-]1	ZINC000331036742	378619537	/nfs/dbraw/zinc/61/95/37/378619537.db2.gz	BLTPMOLRIHMIIH-UHFFFAOYSA-N	-1	0	286.426	2.588	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCCCC1	ZINC000162531085	378917702	/nfs/dbraw/zinc/91/77/02/378917702.db2.gz	FTJHQDYPXABXSF-GFCCVEGCSA-N	-1	0	267.369	2.883	20	30		CFEDRM
CC(C)Oc1cccc(C(=O)C(C#N)c2ccccn2)n1	ZINC000167142395	379068722	/nfs/dbraw/zinc/06/87/22/379068722.db2.gz	SQOBUGDJEQOBSN-GFCCVEGCSA-N	-1	0	281.315	2.754	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1	ZINC000174596001	379916098	/nfs/dbraw/zinc/91/60/98/379916098.db2.gz	UMPBWKHQFDQNDW-UHFFFAOYSA-N	-1	0	299.374	2.512	20	30		CFEDRM
C=CCCCCNC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000336811023	380671644	/nfs/dbraw/zinc/67/16/44/380671644.db2.gz	KQRMEVWLCZGZTH-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529700707	383748995	/nfs/dbraw/zinc/74/89/95/383748995.db2.gz	IUACLPWPNYCCAQ-UHFFFAOYSA-N	-1	0	265.382	2.552	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1C#N	ZINC000181146464	380748009	/nfs/dbraw/zinc/74/80/09/380748009.db2.gz	KAHSAEMMAFCMCU-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cn1	ZINC000353890032	380932050	/nfs/dbraw/zinc/93/20/50/380932050.db2.gz	BVUMZVZHLRPMBN-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
N#Cc1cccc(CCN=c2nc(C(F)(F)F)[n-]s2)c1	ZINC000343044646	381659017	/nfs/dbraw/zinc/65/90/17/381659017.db2.gz	INIZVXWQXIVEPQ-UHFFFAOYSA-N	-1	0	298.293	2.505	20	30		CFEDRM
Cc1ccncc1C([O-])=C(C#N)c1cnc2ccccc2n1	ZINC000361529140	381839596	/nfs/dbraw/zinc/83/95/96/381839596.db2.gz	DAHHUWRKLCPKPM-GFCCVEGCSA-N	-1	0	288.310	2.823	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1	ZINC000362194125	381956628	/nfs/dbraw/zinc/95/66/28/381956628.db2.gz	ZVKUONJGYLSKSV-SECBINFHSA-N	-1	0	294.236	2.622	20	30		CFEDRM
CC(=Cc1cccc(F)c1C#N)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000357077000	382000118	/nfs/dbraw/zinc/00/01/18/382000118.db2.gz	IWCYAZJLTZEMGX-RMKNXTFCSA-N	-1	0	294.289	2.521	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N1CCC(c2n[n-]c(=S)o2)CC1	ZINC000373346622	381982944	/nfs/dbraw/zinc/98/29/44/381982944.db2.gz	RNHUARYYOOYSJH-SNVBAGLBSA-N	-1	0	295.408	2.667	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC(=O)C(C)(C)CC)s1	ZINC000351689276	382055728	/nfs/dbraw/zinc/05/57/28/382055728.db2.gz	AENOSXBBLHZZRE-UHFFFAOYSA-N	-1	0	285.438	2.655	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000293622531	382201680	/nfs/dbraw/zinc/20/16/80/382201680.db2.gz	ZDRZCSMCXDJZIS-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
COc1c(O)cccc1/C=C/c1nc(C(=O)[O-])ccc1C#N	ZINC000357570942	382232275	/nfs/dbraw/zinc/23/22/75/382232275.db2.gz	UAURGRCQJBDONT-FNORWQNLSA-N	-1	0	296.282	2.536	20	30		CFEDRM
Cc1cn(C)nc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000420275557	382340469	/nfs/dbraw/zinc/34/04/69/382340469.db2.gz	LDOALQSJLNMZAM-SNVBAGLBSA-N	-1	0	288.376	2.799	20	30		CFEDRM
CC(C)Cc1nc(=NCc2ccc(C#N)s2)s[n-]1	ZINC000420611105	382424550	/nfs/dbraw/zinc/42/45/50/382424550.db2.gz	PYPDSLABCXTPCD-UHFFFAOYSA-N	-1	0	278.406	2.704	20	30		CFEDRM
COc1ccc(F)cc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000188750227	382470648	/nfs/dbraw/zinc/47/06/48/382470648.db2.gz	IEQPDUKQUJMXOF-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000189033143	382528071	/nfs/dbraw/zinc/52/80/71/382528071.db2.gz	ZWZBDNFNVCZMLB-ZDUSSCGKSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000312321532	382514021	/nfs/dbraw/zinc/51/40/21/382514021.db2.gz	CCAGNNAQRTUYMQ-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
COc1cccc2cc(C([O-])=C(C#N)c3ccncn3)oc21	ZINC000680617256	542343149	/nfs/dbraw/zinc/34/31/49/542343149.db2.gz	LGDGFVRYRULOHE-LLVKDONJSA-N	-1	0	293.282	2.721	20	30		CFEDRM
C=CCN=c1[n-]nc(SCC2(OC)CCCC2)s1	ZINC000358323572	382568483	/nfs/dbraw/zinc/56/84/83/382568483.db2.gz	WDKQNNVHTMDSEQ-UHFFFAOYSA-N	-1	0	285.438	2.609	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)[n-]1	ZINC000366639500	382537167	/nfs/dbraw/zinc/53/71/67/382537167.db2.gz	TVAOEFQDCJMYLM-CMPLNLGQSA-N	-1	0	298.346	2.726	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F	ZINC000189780769	382640477	/nfs/dbraw/zinc/64/04/77/382640477.db2.gz	HRFYAEOAUJLRPW-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)c1)c1cnc2ccccc2n1	ZINC000190968957	382686821	/nfs/dbraw/zinc/68/68/21/382686821.db2.gz	POQXYVJCMMKQIR-CQSZACIVSA-N	-1	0	298.305	2.992	20	30		CFEDRM
C=C[C@H](CC(=O)N(CC)CCC(=O)[O-])c1ccccc1	ZINC000190698459	382678129	/nfs/dbraw/zinc/67/81/29/382678129.db2.gz	ORNZZNNRJLTOLN-CYBMUJFWSA-N	-1	0	275.348	2.670	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn3ccnc3s2)n1	ZINC000190749157	382679677	/nfs/dbraw/zinc/67/96/77/382679677.db2.gz	MQIZBEFSLBDMKL-QMMMGPOBSA-N	-1	0	288.357	2.651	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn3ccnc3s2)n1	ZINC000190749174	382679709	/nfs/dbraw/zinc/67/97/09/382679709.db2.gz	MQIZBEFSLBDMKL-MRVPVSSYSA-N	-1	0	288.357	2.651	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1	ZINC000192876436	382713206	/nfs/dbraw/zinc/71/32/06/382713206.db2.gz	PBHHNWKYDNVGSD-LBPRGKRZSA-N	-1	0	275.348	2.946	20	30		CFEDRM
N#CCc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000193362164	382719182	/nfs/dbraw/zinc/71/91/82/382719182.db2.gz	UHBKGLRTWSAQCI-UHFFFAOYSA-N	-1	0	278.358	2.615	20	30		CFEDRM
C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C(=O)[O-]	ZINC000575180765	382730200	/nfs/dbraw/zinc/73/02/00/382730200.db2.gz	BJLBTLKOFQJNLY-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
CCc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1	ZINC000230333675	382859667	/nfs/dbraw/zinc/85/96/67/382859667.db2.gz	TYGCKXRWTMJWPY-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
C=CCCC[C@@H](C)N=c1[n-]c([C@H](C)OC)ns1	ZINC000337878621	382872740	/nfs/dbraw/zinc/87/27/40/382872740.db2.gz	SJWZSVTWUJXVHC-ZJUUUORDSA-N	-1	0	255.387	2.824	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1OC	ZINC000442652044	382940984	/nfs/dbraw/zinc/94/09/84/382940984.db2.gz	RBLVTDQKUZFBNO-UHFFFAOYSA-N	-1	0	296.326	2.939	20	30		CFEDRM
C=CCCCCCN=c1[n-]c(C2CCOCC2)no1	ZINC000578453011	382923240	/nfs/dbraw/zinc/92/32/40/382923240.db2.gz	BFIMGPFVAHXGIQ-UHFFFAOYSA-N	-1	0	265.357	2.544	20	30		CFEDRM
CC(C)(C)c1[n-]n(CC2CCOCC2)c(=O)c1CCC#N	ZINC000544846594	382975983	/nfs/dbraw/zinc/97/59/83/382975983.db2.gz	AQYXMOBLGLLGIM-UHFFFAOYSA-N	-1	0	291.395	2.769	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])o1	ZINC000238030565	382977346	/nfs/dbraw/zinc/97/73/46/382977346.db2.gz	QSPPGAQDTYHUMB-UHFFFAOYSA-N	-1	0	285.299	2.806	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ns1	ZINC000447628571	382998723	/nfs/dbraw/zinc/99/87/23/382998723.db2.gz	IYQHKQAIWLRQNY-JTQLQIEISA-N	-1	0	294.339	2.885	20	30		CFEDRM
N#CCCC1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000581012377	383082681	/nfs/dbraw/zinc/08/26/81/383082681.db2.gz	VKKPOGRXOPLXQS-UHFFFAOYSA-N	-1	0	286.331	2.541	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000565483259	383179061	/nfs/dbraw/zinc/17/90/61/383179061.db2.gz	YIMZCSMBUUOCJX-ZIAGYGMSSA-N	-1	0	289.331	2.613	20	30		CFEDRM
C=C(C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000566291241	383186219	/nfs/dbraw/zinc/18/62/19/383186219.db2.gz	NVMQXDVWNNOVTP-UHFFFAOYSA-N	-1	0	264.281	2.980	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C)sn2)n1	ZINC000562496982	383158925	/nfs/dbraw/zinc/15/89/25/383158925.db2.gz	USYWTUWYFNFMRX-MRVPVSSYSA-N	-1	0	263.347	2.707	20	30		CFEDRM
CC(C)C[C@H](CNc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000515347137	383159541	/nfs/dbraw/zinc/15/95/41/383159541.db2.gz	SMFMZPVMOLFRCH-CQSZACIVSA-N	-1	0	297.358	2.687	20	30		CFEDRM
C=CCC1(C(=O)Nc2cc(C(=O)[O-])cs2)CCOCC1	ZINC000515348417	383159622	/nfs/dbraw/zinc/15/96/22/383159622.db2.gz	QHMFDXGTZUEADV-UHFFFAOYSA-N	-1	0	295.360	2.758	20	30		CFEDRM
C=C[C@@H](CC(=O)N(C)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000566984835	383232015	/nfs/dbraw/zinc/23/20/15/383232015.db2.gz	UYDYBTUGZASWOK-OLZOCXBDSA-N	-1	0	275.348	2.668	20	30		CFEDRM
C=CCCCN(C)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1	ZINC000634886226	383391252	/nfs/dbraw/zinc/39/12/52/383391252.db2.gz	CZAITJGTZJHPJR-OAHLLOKOSA-N	-1	0	295.404	2.905	20	30		CFEDRM
C[C@@H](NCc1cc(C#N)cs1)c1ncc(C(=O)[O-])s1	ZINC000568392666	383397213	/nfs/dbraw/zinc/39/72/13/383397213.db2.gz	UZUKRLSBBCCILC-SSDOTTSWSA-N	-1	0	293.373	2.625	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc(C2CC2)cs1	ZINC000427784322	383416369	/nfs/dbraw/zinc/41/63/69/383416369.db2.gz	SZRBTOPVKYVZQE-UHFFFAOYSA-N	-1	0	272.395	2.728	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC(=O)[O-]	ZINC000634932027	383409809	/nfs/dbraw/zinc/40/98/09/383409809.db2.gz	QKTFPWMQLRCTOJ-TXEJJXNPSA-N	-1	0	265.353	2.587	20	30		CFEDRM
C=C(C)CN(CC)C(=O)C[C@@H](C(=O)[O-])c1ccccc1	ZINC000634852299	383382492	/nfs/dbraw/zinc/38/24/92/383382492.db2.gz	UPUNUTZCAAZPJY-CQSZACIVSA-N	-1	0	275.348	2.670	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000634854324	383382853	/nfs/dbraw/zinc/38/28/53/383382853.db2.gz	WUFHPIFRTPGWGJ-STQMWFEESA-N	-1	0	293.388	2.764	20	30		CFEDRM
C=CCC1(C(=O)N=c2nc(COC)[n-]s2)CCCCC1	ZINC000450570081	383466274	/nfs/dbraw/zinc/46/62/74/383466274.db2.gz	XYXNCFBHMGTREQ-UHFFFAOYSA-N	-1	0	295.408	2.572	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@@](C)(CC)CC(=O)[O-]	ZINC000634946962	383417506	/nfs/dbraw/zinc/41/75/06/383417506.db2.gz	DZAYJAIGPSJAIS-HNNXBMFYSA-N	-1	0	269.385	2.986	20	30		CFEDRM
N#C[C@@H](Sc1n[n-]c(=NC2CC2)s1)c1ccccc1	ZINC000570224964	383584025	/nfs/dbraw/zinc/58/40/25/383584025.db2.gz	AFFOJSHVCLQYKQ-LLVKDONJSA-N	-1	0	288.401	2.891	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cc(C#N)oc2C)n1	ZINC000435775706	383780329	/nfs/dbraw/zinc/78/03/29/383780329.db2.gz	FKXSCLSOPDJSPU-NSHDSACASA-N	-1	0	271.301	2.715	20	30		CFEDRM
Cc1cc(C#N)cc(NC2CCC(C(=O)[O-])CC2)c1	ZINC000263351745	383659707	/nfs/dbraw/zinc/65/97/07/383659707.db2.gz	PWBASJKQCSGCOL-UHFFFAOYSA-N	-1	0	258.321	2.922	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)cs2)c1	ZINC000436677514	383870920	/nfs/dbraw/zinc/87/09/20/383870920.db2.gz	DENKDIAMZJKZML-UHFFFAOYSA-N	-1	0	286.312	2.780	20	30		CFEDRM
COc1ccc(C#N)cc1NC(=O)c1cc(F)ccc1[O-]	ZINC000436546695	383833973	/nfs/dbraw/zinc/83/39/73/383833973.db2.gz	VMNBJWBFRKVERW-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
C=CCn1cccc1C(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000436725604	383881966	/nfs/dbraw/zinc/88/19/66/383881966.db2.gz	YCTGLPARQJDCJK-UHFFFAOYSA-N	-1	0	284.315	2.835	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC23CCCCC3)[n-]1	ZINC000532178902	383987709	/nfs/dbraw/zinc/98/77/09/383987709.db2.gz	MAVRDJKBOOZKCA-CYBMUJFWSA-N	-1	0	286.379	2.666	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1cccc(Cl)c1)C(=O)[O-]	ZINC000574998010	384174666	/nfs/dbraw/zinc/17/46/66/384174666.db2.gz	UUWPAMQKRGZNAO-CYBMUJFWSA-N	-1	0	295.766	2.808	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1[n-]nc(C(C)(C)CC)o1	ZINC000641549098	384225180	/nfs/dbraw/zinc/22/51/80/384225180.db2.gz	RGCRLNSHQSSAHR-NWDGAFQWSA-N	-1	0	279.384	2.572	20	30		CFEDRM
N#Cc1cccc(C2([N-]C(=O)C(F)(F)C(F)F)CC2)c1	ZINC000269619786	384806874	/nfs/dbraw/zinc/80/68/74/384806874.db2.gz	QHUDDRGFZDTLLR-UHFFFAOYSA-N	-1	0	286.228	2.564	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cc(C(C)=O)ccc1[O-]	ZINC000272083639	385443200	/nfs/dbraw/zinc/44/32/00/385443200.db2.gz	CADKSZKAOMEKMX-UHFFFAOYSA-N	-1	0	277.320	2.516	20	30		CFEDRM
C=CCCN(C)C(=O)c1cccc(Br)c1[O-]	ZINC000682544461	542566367	/nfs/dbraw/zinc/56/63/67/542566367.db2.gz	SWTSYSROWNVAMT-UHFFFAOYSA-N	-1	0	284.153	2.803	20	30		CFEDRM
N#Cc1ccc(Cl)c(C(=O)N=c2ccc(C3CC3)n[n-]2)c1	ZINC000342247170	130370885	/nfs/dbraw/zinc/37/08/85/130370885.db2.gz	NJBDODXACAHVSO-UHFFFAOYSA-N	-1	0	298.733	2.553	20	30		CFEDRM
N#Cc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1	ZINC000356214331	130385818	/nfs/dbraw/zinc/38/58/18/130385818.db2.gz	IPQBELBZSYFSRT-ALCCZGGFSA-N	-1	0	275.267	2.694	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000237412450	131028240	/nfs/dbraw/zinc/02/82/40/131028240.db2.gz	NPCKNPRBDKHXND-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=C[C@@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1	ZINC000683305038	542665181	/nfs/dbraw/zinc/66/51/81/542665181.db2.gz	DXDGNXLVDLWFCI-ZDUSSCGKSA-N	-1	0	287.359	2.812	20	30		CFEDRM
C=CCOCCCC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-]	ZINC000262051982	131187140	/nfs/dbraw/zinc/18/71/40/131187140.db2.gz	FSMCBJNTQSBPAI-ZIAGYGMSSA-N	-1	0	297.395	2.509	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1	ZINC000262972208	131277081	/nfs/dbraw/zinc/27/70/81/131277081.db2.gz	SRWXWXWIABIVQM-SMDDNHRTSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC000192917070	393636291	/nfs/dbraw/zinc/63/62/91/393636291.db2.gz	HWYNXXJMUXTFKS-AWEZNQCLSA-N	-1	0	289.375	2.745	20	30		CFEDRM
CC(=Cc1ccccc1F)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000193614726	393658071	/nfs/dbraw/zinc/65/80/71/393658071.db2.gz	NFZZVYSMEOXQJS-CLFYSBASSA-N	-1	0	269.279	2.650	20	30		CFEDRM
N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)nc1	ZINC000084919773	393750299	/nfs/dbraw/zinc/75/02/99/393750299.db2.gz	IVDJBSJFYXEIAI-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
CC(C)c1ccc2ncc(C#N)c(NCCCC(=O)[O-])c2c1	ZINC000416425994	393918598	/nfs/dbraw/zinc/91/85/98/393918598.db2.gz	HBLDOUIKFBDXTJ-UHFFFAOYSA-N	-1	0	297.358	2.928	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1NC(C)C	ZINC000416961097	393946699	/nfs/dbraw/zinc/94/66/99/393946699.db2.gz	RPUILZWCQSBWMF-JTQLQIEISA-N	-1	0	299.371	2.690	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1nccc(C#N)c1Cl)C(=O)[O-]	ZINC000416443516	393919805	/nfs/dbraw/zinc/91/98/05/393919805.db2.gz	VVQNRVRYKUVFKS-SNVBAGLBSA-N	-1	0	295.770	2.720	20	30		CFEDRM
CC(C)CCN(CCC#N)C(=O)c1c([O-])cccc1F	ZINC000123229614	393978398	/nfs/dbraw/zinc/97/83/98/393978398.db2.gz	KFGPBZMJALKOAP-UHFFFAOYSA-N	-1	0	278.327	2.933	20	30		CFEDRM
Cn1cc(CNc2ccc(CCCC(=O)[O-])cc2)cc1C#N	ZINC000417596799	393981467	/nfs/dbraw/zinc/98/14/67/393981467.db2.gz	LRIYLLZUQRHNDU-UHFFFAOYSA-N	-1	0	297.358	2.916	20	30		CFEDRM
C=CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F	ZINC000150997999	394257944	/nfs/dbraw/zinc/25/79/44/394257944.db2.gz	MJZZYTWJLIGLFA-UHFFFAOYSA-N	-1	0	299.701	2.823	20	30		CFEDRM
C=CCCOCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000519645734	394373305	/nfs/dbraw/zinc/37/33/05/394373305.db2.gz	FHAUESNHMXWZGJ-UHFFFAOYSA-N	-1	0	294.307	2.606	20	30		CFEDRM
N#Cc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1Cl	ZINC000548617214	394940692	/nfs/dbraw/zinc/94/06/92/394940692.db2.gz	YGKQABAZCGFCCW-UHFFFAOYSA-N	-1	0	298.733	2.553	20	30		CFEDRM
N#Cc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1F	ZINC000355903179	155132413	/nfs/dbraw/zinc/13/24/13/155132413.db2.gz	FIVLHJGGCWECIM-GORDUTHDSA-N	-1	0	293.257	2.833	20	30		CFEDRM
C=CCCCCCN(C)C(=O)c1ccc(C(=O)[O-])cn1	ZINC000649455834	395500898	/nfs/dbraw/zinc/50/08/98/395500898.db2.gz	GLBQWFNFEMDZEC-UHFFFAOYSA-N	-1	0	276.336	2.598	20	30		CFEDRM
N#CC(=C([O-])c1coc(C2CCC2)n1)c1ccccn1	ZINC000192505176	543083121	/nfs/dbraw/zinc/08/31/21/543083121.db2.gz	FHTAXHKRSHVTPK-NSHDSACASA-N	-1	0	267.288	2.827	20	30		CFEDRM
N#Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1F	ZINC000051637848	397589791	/nfs/dbraw/zinc/58/97/91/397589791.db2.gz	IUQUKSOYFSTVKW-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1Nc1ncc(C(=O)[O-])cn1	ZINC000656781765	413222595	/nfs/dbraw/zinc/22/25/95/413222595.db2.gz	LSDXPENQKQIIQH-CMPLNLGQSA-N	-1	0	261.325	2.722	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[O-]	ZINC000657036646	413292481	/nfs/dbraw/zinc/29/24/81/413292481.db2.gz	KZTJMDUGDBFXCW-CHWSQXEVSA-N	-1	0	295.404	2.805	20	30		CFEDRM
CCOC(=O)c1cnc(-c2cc(F)ccc2[O-])c(C#N)c1	ZINC001240696798	782011298	/nfs/dbraw/zinc/01/12/98/782011298.db2.gz	PUZOMLQGFDYBLQ-UHFFFAOYSA-N	-1	0	286.262	2.642	20	30		CFEDRM
CCC(CC)(CC(=O)Nc1sccc1C#N)C(=O)[O-]	ZINC000010168416	170399869	/nfs/dbraw/zinc/39/98/69/170399869.db2.gz	ZTEHLEVNWVELFK-UHFFFAOYSA-N	-1	0	280.349	2.839	20	30		CFEDRM
N#Cc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000035347616	172140462	/nfs/dbraw/zinc/14/04/62/172140462.db2.gz	JYFNJHYSBHSOJP-UHFFFAOYSA-N	-1	0	266.256	2.509	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000652070126	413810717	/nfs/dbraw/zinc/81/07/17/413810717.db2.gz	JAIAVLZLTFKONJ-MFKMUULPSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=CCCCCNC(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000654810020	414004201	/nfs/dbraw/zinc/00/42/01/414004201.db2.gz	CSLOJEYNWYUPDD-UHFFFAOYSA-N	-1	0	282.384	2.772	20	30		CFEDRM
C=C[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000654884165	414025473	/nfs/dbraw/zinc/02/54/73/414025473.db2.gz	ZAXBZLOERWZIJJ-SSDOTTSWSA-N	-1	0	259.227	2.715	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655575244	414329553	/nfs/dbraw/zinc/32/95/53/414329553.db2.gz	HAMDATGBHVUGOH-MROQNXINSA-N	-1	0	281.396	2.840	20	30		CFEDRM
C=CCC[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)C(=O)[O-]	ZINC000659153743	414457540	/nfs/dbraw/zinc/45/75/40/414457540.db2.gz	LRMYVSFKHVWSQC-AVGNSLFASA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)CCCCC(=O)[O-]	ZINC000659166737	414460117	/nfs/dbraw/zinc/46/01/17/414460117.db2.gz	RJBPAFPBXCPLPF-QWHCGFSZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000659167922	414460684	/nfs/dbraw/zinc/46/06/84/414460684.db2.gz	RSHMNJOOVANLPB-RQJABVFESA-N	-1	0	279.380	2.738	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1	ZINC000659170171	414461303	/nfs/dbraw/zinc/46/13/03/414461303.db2.gz	QNQHYUHJMFGCJK-RDBSUJKOSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C(=O)[O-]	ZINC000659228137	414474611	/nfs/dbraw/zinc/47/46/11/414474611.db2.gz	IQPXPKVUDOTQKL-OKILXGFUSA-N	-1	0	285.343	2.637	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC(C(=O)[O-])CC1	ZINC000659228657	414474732	/nfs/dbraw/zinc/47/47/32/414474732.db2.gz	MJAUACDIMRNXEH-ZMYVRHLSSA-N	-1	0	291.391	2.977	20	30		CFEDRM
C=C[C@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1	ZINC000659230622	414474924	/nfs/dbraw/zinc/47/49/24/414474924.db2.gz	ULSNMVRKIHHSBP-YUELXQCFSA-N	-1	0	287.359	2.668	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000659244130	414477177	/nfs/dbraw/zinc/47/71/77/414477177.db2.gz	IRWVTHMYBOGGEU-UHFFFAOYSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC000659244192	414477359	/nfs/dbraw/zinc/47/73/59/414477359.db2.gz	WNTKZGOJHUQPRJ-UHFFFAOYSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000659244138	414477940	/nfs/dbraw/zinc/47/79/40/414477940.db2.gz	KSORMWBDGOMTIE-HAQNSBGRSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCNC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1	ZINC000656588207	414610752	/nfs/dbraw/zinc/61/07/52/414610752.db2.gz	FZMUDUYUZLAKIS-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000040519216	174308686	/nfs/dbraw/zinc/30/86/86/174308686.db2.gz	OILVJIILIJITSJ-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000040547222	174325727	/nfs/dbraw/zinc/32/57/27/174325727.db2.gz	GIMDCICJRNHUAK-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
N#Cc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1	ZINC000045212564	175329080	/nfs/dbraw/zinc/32/90/80/175329080.db2.gz	JBXJAYHBONPPCV-UHFFFAOYSA-N	-1	0	286.718	2.847	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1CCC(C)C	ZINC000354471612	227006285	/nfs/dbraw/zinc/00/62/85/227006285.db2.gz	OHNSYCVVOMXDGB-CYBMUJFWSA-N	-1	0	297.362	2.518	20	30		CFEDRM
Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1CCC(C)C	ZINC000354471615	227007083	/nfs/dbraw/zinc/00/70/83/227007083.db2.gz	OHNSYCVVOMXDGB-ZDUSSCGKSA-N	-1	0	297.362	2.518	20	30		CFEDRM
N#CCC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1	ZINC000336160813	228201742	/nfs/dbraw/zinc/20/17/42/228201742.db2.gz	LCIAENZVSMQFTF-UHFFFAOYSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CC#CCCCC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000364069205	262135960	/nfs/dbraw/zinc/13/59/60/262135960.db2.gz	VGEPBTIZNIKFTE-UHFFFAOYSA-N	-1	0	291.401	2.821	20	30		CFEDRM
C=CCC1(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCCC1	ZINC000410696291	262661358	/nfs/dbraw/zinc/66/13/58/262661358.db2.gz	HNTRHBUEDLTVII-UHFFFAOYSA-N	-1	0	299.296	2.992	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]OC/C=C/Cl	ZINC000291848748	263126001	/nfs/dbraw/zinc/12/60/01/263126001.db2.gz	NZMSKMYJXIVPQY-LXSSAFMLSA-N	-1	0	276.764	2.758	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]nc(C(F)F)s1	ZINC000340903854	263309386	/nfs/dbraw/zinc/30/93/86/263309386.db2.gz	SRZIDLSGXDQPFY-UHFFFAOYSA-N	-1	0	260.313	2.639	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C	ZINC000120110920	263280414	/nfs/dbraw/zinc/28/04/14/263280414.db2.gz	OMPJYMIFUGTTPV-UHFFFAOYSA-N	-1	0	294.376	2.663	20	30		CFEDRM
C=C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)C)c1ccccc1	ZINC000190513446	264417783	/nfs/dbraw/zinc/41/77/83/264417783.db2.gz	IYJVBMHYRSRIKF-DOMZBBRYSA-N	-1	0	275.348	2.572	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3o2)co1	ZINC000358001479	266395153	/nfs/dbraw/zinc/39/51/53/266395153.db2.gz	RNUWGZDSWHDIMX-VIFPVBQESA-N	-1	0	281.271	2.868	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C#N)c(C)cn2)c1	ZINC001243179251	782039615	/nfs/dbraw/zinc/03/96/15/782039615.db2.gz	MTCFZLLYIVTALR-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CC(C)C[C@@H](CNc1ccc2cc(C#N)ccc2n1)C(=O)[O-]	ZINC000515347136	270368526	/nfs/dbraw/zinc/36/85/26/270368526.db2.gz	SMFMZPVMOLFRCH-AWEZNQCLSA-N	-1	0	297.358	2.687	20	30		CFEDRM
CC(=Cc1ccnn1C(C)C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000279970820	275401041	/nfs/dbraw/zinc/40/10/41/275401041.db2.gz	DJNZAZHDIASQAF-JXMROGBWSA-N	-1	0	283.335	2.700	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000134114800	280753549	/nfs/dbraw/zinc/75/35/49/280753549.db2.gz	NRPIQBNHDROUPW-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
CCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](CC)C(=O)[O-]	ZINC000516444822	281303856	/nfs/dbraw/zinc/30/38/56/281303856.db2.gz	JKTIOOCQTOCOAH-ZDUSSCGKSA-N	-1	0	289.335	2.665	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1F	ZINC000152718135	289853055	/nfs/dbraw/zinc/85/30/55/289853055.db2.gz	WCDBMPJZYNTEKQ-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
Cc1ccc(-c2nccc(C)c2C#N)cc1C(=O)[O-]	ZINC001243193148	782053755	/nfs/dbraw/zinc/05/37/55/782053755.db2.gz	LOBFLGGJENGWDC-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1CCCC[C@H]1C1CC1	ZINC000565836603	290329107	/nfs/dbraw/zinc/32/91/07/290329107.db2.gz	QYFDPALHNZPGGR-STQMWFEESA-N	-1	0	298.390	2.736	20	30		CFEDRM
COc1cnc(-c2ccc(C)c(C(=O)[O-])c2)c(C#N)c1	ZINC001243194499	782055339	/nfs/dbraw/zinc/05/53/39/782055339.db2.gz	BBGMHMQNFSMLAY-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1ccc(-c2cc(C#N)nc(C3CC3)n2)cc1C(=O)[O-]	ZINC001243194562	782056071	/nfs/dbraw/zinc/05/60/71/782056071.db2.gz	LDNXSAYIAWNRRH-UHFFFAOYSA-N	-1	0	279.299	2.899	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1ncc(C#N)cc1C	ZINC001243202408	782061731	/nfs/dbraw/zinc/06/17/31/782061731.db2.gz	UDKSROYWBVASTD-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])cc2C)c(C#N)c1	ZINC001243202420	782062118	/nfs/dbraw/zinc/06/21/18/782062118.db2.gz	ULVDSDXUZZZRKP-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(Cl)cccc2C#N)C1	ZINC000263265991	297344026	/nfs/dbraw/zinc/34/40/26/297344026.db2.gz	VKEBHLUZICRIEW-KOLCDFICSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1cc(N[C@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N	ZINC000347229929	301365262	/nfs/dbraw/zinc/36/52/62/301365262.db2.gz	IZGVLRCPFPBVQM-SNVBAGLBSA-N	-1	0	294.314	2.553	20	30		CFEDRM
Cc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)s1	ZINC000329775187	302464366	/nfs/dbraw/zinc/46/43/66/302464366.db2.gz	MYJYDOKWYQNNLG-HBNTYKKESA-N	-1	0	280.397	2.563	20	30		CFEDRM
N#Cc1cccnc1/C=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436930901	303208290	/nfs/dbraw/zinc/20/82/90/303208290.db2.gz	HYFPDWQAMNBVMV-HYXAFXHYSA-N	-1	0	267.244	2.737	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1cnccc1CC#N	ZINC001243204420	782064182	/nfs/dbraw/zinc/06/41/82/782064182.db2.gz	ALZMJGSUSJBTIQ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(-c2nnc(C)c(C)c2C#N)ccc1C(=O)[O-]	ZINC001243210472	782070919	/nfs/dbraw/zinc/07/09/19/782070919.db2.gz	JLAJJVCEPXRMJX-UHFFFAOYSA-N	-1	0	267.288	2.639	20	30		CFEDRM
Cc1cc(-c2nc3c(cc2C#N)COCC3)ccc1C(=O)[O-]	ZINC001243213931	782074160	/nfs/dbraw/zinc/07/41/60/782074160.db2.gz	GYUPCPZXQMSVME-UHFFFAOYSA-N	-1	0	294.310	2.700	20	30		CFEDRM
C=CCCCCNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1	ZINC000574963851	327671033	/nfs/dbraw/zinc/67/10/33/327671033.db2.gz	WETHCSCNRFSJEM-AWEZNQCLSA-N	-1	0	290.363	2.810	20	30		CFEDRM
C=CCCCCCNC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-]	ZINC000563351335	328057259	/nfs/dbraw/zinc/05/72/59/328057259.db2.gz	YYVMODKMLVMWEQ-MJBXVCDLSA-N	-1	0	294.395	2.628	20	30		CFEDRM
CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(CC#N)cc1	ZINC000262091440	328144598	/nfs/dbraw/zinc/14/45/98/328144598.db2.gz	LOWXCHSPAPXJLM-UHFFFAOYSA-N	-1	0	288.347	2.516	20	30		CFEDRM
CC(C)O[C@H]1C[C@@H](/N=C/c2ccc(O)c(O)c2O)C1(C)C	ZINC000274200832	328209436	/nfs/dbraw/zinc/20/94/36/328209436.db2.gz	MXBXJANOLJPTKJ-USBFOUBNSA-N	-1	0	293.363	2.814	20	30		CFEDRM
CSc1[n-]c(=O)c(C(=O)NC(C)(C)C(C)C)cc1C#N	ZINC000570170772	322518021	/nfs/dbraw/zinc/51/80/21/322518021.db2.gz	YERDUODZLFATBZ-UHFFFAOYSA-N	-1	0	293.392	2.545	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N=c1[n-]nc(CCCC)s1	ZINC000341380802	328407513	/nfs/dbraw/zinc/40/75/13/328407513.db2.gz	VHNZGNVVTQNPLF-JTQLQIEISA-N	-1	0	282.413	2.779	20	30		CFEDRM
C=CCC[C@H](NC(=O)NCc1ccc(C)cc1C)C(=O)[O-]	ZINC000563792225	328518353	/nfs/dbraw/zinc/51/83/53/328518353.db2.gz	OTUDIMYNXSXTOW-AWEZNQCLSA-N	-1	0	290.363	2.522	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000263335863	327018891	/nfs/dbraw/zinc/01/88/91/327018891.db2.gz	NJBSCKSIFLSVQY-CYBMUJFWSA-N	-1	0	276.336	2.539	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000263517572	327074127	/nfs/dbraw/zinc/07/41/27/327074127.db2.gz	FMEGLPWTPFQHJS-XQQFMLRXSA-N	-1	0	267.369	2.738	20	30		CFEDRM
CC(C)c1nc(=NCC2CCC(C#N)CC2)s[n-]1	ZINC000559735706	327259279	/nfs/dbraw/zinc/25/92/79/327259279.db2.gz	WQWJSTAFSVTYMV-UHFFFAOYSA-N	-1	0	264.398	2.825	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000393749198	329089196	/nfs/dbraw/zinc/08/91/96/329089196.db2.gz	SKIBHEPGWISBIJ-LBPRGKRZSA-N	-1	0	282.384	2.818	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ncc(C#N)cc2C)n1	ZINC000584366216	329113372	/nfs/dbraw/zinc/11/33/72/329113372.db2.gz	KBALGMVQTCMOJO-LLVKDONJSA-N	-1	0	282.328	2.517	20	30		CFEDRM
N#CCCCOc1cccnc1NC(=O)c1cccc(O)c1	ZINC000182305089	329241652	/nfs/dbraw/zinc/24/16/52/329241652.db2.gz	YRZUJMDXNBZKDN-UHFFFAOYSA-N	-1	0	297.314	2.722	20	30		CFEDRM
C=CC1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1	ZINC000262708402	330028229	/nfs/dbraw/zinc/02/82/29/330028229.db2.gz	BZPDHBLXYVHDHF-UHFFFAOYSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C[C@@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1	ZINC000262758154	330029685	/nfs/dbraw/zinc/02/96/85/330029685.db2.gz	KAXKEXZVHNVMJH-ZDUSSCGKSA-N	-1	0	287.359	2.860	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000262796393	330031950	/nfs/dbraw/zinc/03/19/50/330031950.db2.gz	CFWVGGIXMGRQAS-DZGCQCFKSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000262796395	330032058	/nfs/dbraw/zinc/03/20/58/330032058.db2.gz	CFWVGGIXMGRQAS-UKRRQHHQSA-N	-1	0	289.375	2.709	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)C(CC)CC)C(=O)[O-]	ZINC000262984006	330037960	/nfs/dbraw/zinc/03/79/60/330037960.db2.gz	UQILUCHEPZXCGH-JQWIXIFHSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@H](C)Cc1ccccc1F)C(=O)[O-]	ZINC000263011570	330038757	/nfs/dbraw/zinc/03/87/57/330038757.db2.gz	XGGFUHXGAUCFRO-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000263191663	330048259	/nfs/dbraw/zinc/04/82/59/330048259.db2.gz	LINPYSUTILYBIH-UHFFFAOYSA-N	-1	0	279.361	2.831	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cc(C)c(F)c(C)c1)C(=O)[O-]	ZINC000263545052	330059311	/nfs/dbraw/zinc/05/93/11/330059311.db2.gz	SWFSMCKYLSDPSB-GFCCVEGCSA-N	-1	0	279.311	2.592	20	30		CFEDRM
C=CC(C)(C)CCN=c1[n-]nc(-c2ccon2)s1	ZINC000528076522	330305524	/nfs/dbraw/zinc/30/55/24/330305524.db2.gz	YSBBTWJTUWOXFY-UHFFFAOYSA-N	-1	0	264.354	2.629	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000088475782	330376690	/nfs/dbraw/zinc/37/66/90/330376690.db2.gz	FECGPVGEKNAJFS-SSDOTTSWSA-N	-1	0	276.720	2.523	20	30		CFEDRM
C=C(C)CCNC(=O)c1cc(F)c(F)c([O-])c1F	ZINC000448550590	330640004	/nfs/dbraw/zinc/64/00/04/330640004.db2.gz	FPOAPQJDZIWUIX-UHFFFAOYSA-N	-1	0	259.227	2.506	20	30		CFEDRM
C=CCN=c1[n-]nc(SC2CC(OC(C)(C)C)C2)s1	ZINC000450615010	330989351	/nfs/dbraw/zinc/98/93/51/330989351.db2.gz	XQQJNCYLMUQAJS-UHFFFAOYSA-N	-1	0	299.465	2.996	20	30		CFEDRM
C=C(CC)CNC(=O)N=c1nc(SCCC)[n-]s1	ZINC000454955217	331157555	/nfs/dbraw/zinc/15/75/55/331157555.db2.gz	FROVDMFPDXSBQY-UHFFFAOYSA-N	-1	0	286.426	2.550	20	30		CFEDRM
C=CC(C)(C)CNC(=O)NCc1ccc(O)c(F)c1	ZINC000455374334	331167697	/nfs/dbraw/zinc/16/76/97/331167697.db2.gz	XKAWPIDIKIXBSJ-UHFFFAOYSA-N	-1	0	266.316	2.543	20	30		CFEDRM
CC#CCCCC(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457296034	331218457	/nfs/dbraw/zinc/21/84/57/331218457.db2.gz	PKGAFTWBFCKXHQ-UHFFFAOYSA-N	-1	0	253.248	2.803	20	30		CFEDRM
CC(C)(CC#N)CSc1n[n-]c(=NC2CC2)s1	ZINC000566497072	334652798	/nfs/dbraw/zinc/65/27/98/334652798.db2.gz	RMLFRZFFRXHGBF-UHFFFAOYSA-N	-1	0	268.411	2.566	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1	ZINC000230656678	333319748	/nfs/dbraw/zinc/31/97/48/333319748.db2.gz	IZVUVGCYKQCQQR-UHFFFAOYSA-N	-1	0	298.264	2.575	20	30		CFEDRM
C=CCCCCCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC000579024782	335702370	/nfs/dbraw/zinc/70/23/70/335702370.db2.gz	QKBYTMCLXKOFQU-UHFFFAOYSA-N	-1	0	275.348	2.790	20	30		CFEDRM
COc1cc(-c2ccc([O-])c(F)c2F)ncc1C#N	ZINC001243339284	782143785	/nfs/dbraw/zinc/14/37/85/782143785.db2.gz	PRRQRZOGYUCZKN-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc([O-])c(F)c1F	ZINC001243339304	782144067	/nfs/dbraw/zinc/14/40/67/782144067.db2.gz	OERGLMFZSYDQGA-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
N#Cc1ncc(F)cc1-c1ccc([O-])c(F)c1F	ZINC001243342663	782147697	/nfs/dbraw/zinc/14/76/97/782147697.db2.gz	NUIOWZCXEWHVBI-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)CC(C)(C)C)[n-]1	ZINC000361862593	519931216	/nfs/dbraw/zinc/93/12/16/519931216.db2.gz	PBZUYGVQOBTMCU-LLVKDONJSA-N	-1	0	276.384	2.768	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1c(F)cc(C#N)cc1F)C(=O)[O-]	ZINC000262124847	521982156	/nfs/dbraw/zinc/98/21/56/521982156.db2.gz	MVQNQASZYIWUTK-CPCISQLKSA-N	-1	0	268.263	2.748	20	30		CFEDRM
CC[C@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(C(C)C)cc1C#N	ZINC000361762483	523035090	/nfs/dbraw/zinc/03/50/90/523035090.db2.gz	BEVGQXKSJJQBGH-JSGCOSHPSA-N	-1	0	288.395	2.912	20	30		CFEDRM
C[C@@H]1C[C@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(C)(C)C1	ZINC000067150933	525406865	/nfs/dbraw/zinc/40/68/65/525406865.db2.gz	ZWAPRNBOLNTQRK-GHMZBOCLSA-N	-1	0	299.378	2.944	20	30		CFEDRM
Cc1c(C#N)c(N2CC[C@](C)(C(=O)[O-])C2)nc2ccccc12	ZINC000263428256	525531439	/nfs/dbraw/zinc/53/14/39/525531439.db2.gz	RXCROJLEARKETP-KRWDZBQOSA-N	-1	0	295.342	2.716	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)o1	ZINC000334260956	525603344	/nfs/dbraw/zinc/60/33/44/525603344.db2.gz	XEFQPJWCITXBBC-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
N#Cc1ccc(NCCCCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000094592437	526661503	/nfs/dbraw/zinc/66/15/03/526661503.db2.gz	YGJUNOIIIRSLHB-UHFFFAOYSA-N	-1	0	277.280	2.523	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)o1	ZINC000335124722	526684496	/nfs/dbraw/zinc/68/44/96/526684496.db2.gz	FKDAJAIABVIVEE-UHFFFAOYSA-N	-1	0	282.708	2.605	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)o1	ZINC000361119440	526685754	/nfs/dbraw/zinc/68/57/54/526685754.db2.gz	IVMJHFNXVDQMJT-UHFFFAOYSA-N	-1	0	299.311	2.500	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(C(C)C)o1	ZINC000347815209	526935626	/nfs/dbraw/zinc/93/56/26/526935626.db2.gz	MNYMUJYHQUIQPV-UHFFFAOYSA-N	-1	0	273.336	2.792	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc(CC(C)C)o1	ZINC000347891942	526935961	/nfs/dbraw/zinc/93/59/61/526935961.db2.gz	LMTNFEPYIKQXNV-UHFFFAOYSA-N	-1	0	287.363	2.867	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC000352204945	526987172	/nfs/dbraw/zinc/98/71/72/526987172.db2.gz	BNUMEGUPYMBYHR-UHFFFAOYSA-N	-1	0	294.395	2.858	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000352546342	527015568	/nfs/dbraw/zinc/01/55/68/527015568.db2.gz	TXPDAGOYGZXXDC-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
CC(C)(C)CC[C@@H](Nc1ncccc1C#N)C(=O)[O-]	ZINC000416436967	527675978	/nfs/dbraw/zinc/67/59/78/527675978.db2.gz	FQRYIXFWMXEPKI-LLVKDONJSA-N	-1	0	261.325	2.645	20	30		CFEDRM
N#Cc1ccc(-c2ccccc2)nc1SCCNC(=O)[O-]	ZINC000740313255	574056598	/nfs/dbraw/zinc/05/65/98/574056598.db2.gz	LQTBDNFCNQRONT-UHFFFAOYSA-N	-1	0	299.355	2.980	20	30		CFEDRM
Cc1cccc2[nH]c([C@@H](C#N)C(=O)C3=COCCC3)nc21	ZINC000744159346	574057124	/nfs/dbraw/zinc/05/71/24/574057124.db2.gz	BTQSFRXSRXZKBW-LBPRGKRZSA-N	-1	0	281.315	2.742	20	30		CFEDRM
CC(=NN1CCOCC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727650363	574058569	/nfs/dbraw/zinc/05/85/69/574058569.db2.gz	JPLHHHRFASWTRT-UHFFFAOYSA-N	-1	0	289.162	2.755	20	30		CFEDRM
CNC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1[O-]	ZINC000727650889	574058932	/nfs/dbraw/zinc/05/89/32/574058932.db2.gz	WNRCVXKGCSLLCK-UHFFFAOYSA-N	-1	0	292.191	2.517	20	30		CFEDRM
C[C@H](CC#N)Sc1ccccc1NC(=O)CCC(=O)[O-]	ZINC000736544447	574059128	/nfs/dbraw/zinc/05/91/28/574059128.db2.gz	HJYGBNPARIAKOL-SNVBAGLBSA-N	-1	0	292.360	2.884	20	30		CFEDRM
C=CCCC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000738489302	574093036	/nfs/dbraw/zinc/09/30/36/574093036.db2.gz	SSERVMVMOVTKRU-UHFFFAOYSA-N	-1	0	274.320	2.627	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@@H](CCC)NC(=O)[O-]	ZINC000738493206	574095200	/nfs/dbraw/zinc/09/52/00/574095200.db2.gz	YUXCEJMGPXDVEJ-CQSZACIVSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=CCCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1	ZINC000738493391	574095663	/nfs/dbraw/zinc/09/56/63/574095663.db2.gz	MWNXEAIKWUJOIA-SECBINFHSA-N	-1	0	253.302	2.543	20	30		CFEDRM
CCC(Cc1ccc(C)cc1)N=Nc1nnc(C)c(=O)[n-]1	ZINC000731923883	574134181	/nfs/dbraw/zinc/13/41/81/574134181.db2.gz	IJIZJJCEBJLNAB-UHFFFAOYSA-N	-1	0	285.351	2.615	20	30		CFEDRM
Cc1ccccc1C(=NNc1[n-]cnc2ncnc1-2)C1CC1	ZINC000731925374	574134371	/nfs/dbraw/zinc/13/43/71/574134371.db2.gz	AMVVBIXEZAYODW-UHFFFAOYSA-N	-1	0	292.346	2.888	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)[C@@H](C)c1cccc(Cl)c1	ZINC000737527218	574145662	/nfs/dbraw/zinc/14/56/62/574145662.db2.gz	FNBBESCCCPHJPY-JTQLQIEISA-N	-1	0	281.739	2.543	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Oc1ccc(NC(=O)[O-])cc1	ZINC000737527807	574146346	/nfs/dbraw/zinc/14/63/46/574146346.db2.gz	DLPILJPZBMJDAJ-SNVBAGLBSA-N	-1	0	279.292	2.663	20	30		CFEDRM
COc1cccc(NN=Cc2cc(C(=O)[O-])ccc2O)c1	ZINC000738107109	574157655	/nfs/dbraw/zinc/15/76/55/574157655.db2.gz	UYFJGGLURGTVOZ-UHFFFAOYSA-N	-1	0	286.287	2.545	20	30		CFEDRM
CC(C)(C)OCC/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000746681522	574162807	/nfs/dbraw/zinc/16/28/07/574162807.db2.gz	KJXBNORWMYVDRO-NTEUORMPSA-N	-1	0	266.297	2.534	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2cc(F)ccc2O)c1	ZINC000755465588	574163713	/nfs/dbraw/zinc/16/37/13/574163713.db2.gz	MVIUFOSSQVXOQP-UHFFFAOYSA-N	-1	0	274.251	2.676	20	30		CFEDRM
O=C([O-])c1cc(NN=Cc2ccc(O)cn2)ccc1Cl	ZINC000755468399	574163908	/nfs/dbraw/zinc/16/39/08/574163908.db2.gz	ZLPGGPOHMMJUEF-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2ccoc2C(=O)[O-])ccc1O	ZINC000738318453	574164341	/nfs/dbraw/zinc/16/43/41/574164341.db2.gz	JUZWMKXAFDDMFP-DJWKRKHSSA-N	-1	0	272.256	2.888	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1	ZINC000738488307	574170651	/nfs/dbraw/zinc/17/06/51/574170651.db2.gz	IJUFMMLXYWEVAZ-TZMCWYRMSA-N	-1	0	290.363	2.856	20	30		CFEDRM
N#Cc1ccccc1C=NNc1ccccc1C(=O)[O-]	ZINC000755601227	574171036	/nfs/dbraw/zinc/17/10/36/574171036.db2.gz	MZHKBDAFFJDATI-UHFFFAOYSA-N	-1	0	265.272	2.702	20	30		CFEDRM
C=C(Cl)COC(=O)c1ccc(F)c(NC(=O)[O-])c1	ZINC000738494604	574171326	/nfs/dbraw/zinc/17/13/26/574171326.db2.gz	SWTBOSMFWOBUAM-UHFFFAOYSA-N	-1	0	273.647	2.825	20	30		CFEDRM
C=C1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1	ZINC000738491824	574171438	/nfs/dbraw/zinc/17/14/38/574171438.db2.gz	FDBJMRAVBZWFEX-UHFFFAOYSA-N	-1	0	278.283	2.708	20	30		CFEDRM
C[C@H](CCC(C)(C)C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000755740337	574183227	/nfs/dbraw/zinc/18/32/27/574183227.db2.gz	LFCKIJQWSDKJPH-NEPJUHHUSA-N	-1	0	289.379	2.774	20	30		CFEDRM
C[C@]1(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCOC1	ZINC000733080837	574187108	/nfs/dbraw/zinc/18/71/08/574187108.db2.gz	CXCKWWWAVKMFNR-IUSDJGRYSA-N	-1	0	298.726	2.799	20	30		CFEDRM
Cc1noc(C)c1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738939542	574190844	/nfs/dbraw/zinc/19/08/44/574190844.db2.gz	DOFHTRZBBWDGCU-PSLIRLAXSA-N	-1	0	299.330	2.640	20	30		CFEDRM
Cc1oc(C=NNc2cnnc3ccccc32)cc1C(=O)[O-]	ZINC000738968869	574191647	/nfs/dbraw/zinc/19/16/47/574191647.db2.gz	FHMNDXFVUWEDSK-UHFFFAOYSA-N	-1	0	296.286	2.675	20	30		CFEDRM
COc1ccc(C#N)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000747362108	574192649	/nfs/dbraw/zinc/19/26/49/574192649.db2.gz	NEFCRVSBSQBFAW-UHFFFAOYSA-N	-1	0	297.270	2.931	20	30		CFEDRM
C[C@H](SCc1cc(Cl)ccc1OCC#N)C(=O)[O-]	ZINC000739055449	574195771	/nfs/dbraw/zinc/19/57/71/574195771.db2.gz	MZSOQUFLTRQVEH-QMMMGPOBSA-N	-1	0	285.752	2.949	20	30		CFEDRM
N#CCCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1	ZINC000739069605	574196620	/nfs/dbraw/zinc/19/66/20/574196620.db2.gz	SQVJHVTVCCZMQL-UHFFFAOYSA-N	-1	0	295.726	2.854	20	30		CFEDRM
N#Cc1ccc(Cl)cc1N[C@H]1CCCN(C(=O)[O-])C1	ZINC000739118100	574199237	/nfs/dbraw/zinc/19/92/37/574199237.db2.gz	MGABTWDYLRDNAD-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccc([C@H](Sc2nccs2)C(=O)[O-])cc1	ZINC000739117581	574199241	/nfs/dbraw/zinc/19/92/41/574199241.db2.gz	MAWVXFSSTKOGSI-JTQLQIEISA-N	-1	0	276.342	2.933	20	30		CFEDRM
N#Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1	ZINC000739132963	574199551	/nfs/dbraw/zinc/19/95/51/574199551.db2.gz	XMYVHYGIIZNXRV-AWEZNQCLSA-N	-1	0	299.257	2.680	20	30		CFEDRM
N#Cc1cccc(CNc2ccc(CNC(=O)[O-])cc2)c1	ZINC000739133742	574199572	/nfs/dbraw/zinc/19/95/72/574199572.db2.gz	NGDWFOQYMOBWLF-UHFFFAOYSA-N	-1	0	281.315	2.938	20	30		CFEDRM
N#Cc1ccccc1CNc1ccc(CNC(=O)[O-])cc1	ZINC000739146583	574199587	/nfs/dbraw/zinc/19/95/87/574199587.db2.gz	IIBMECGLZBBLPW-UHFFFAOYSA-N	-1	0	281.315	2.938	20	30		CFEDRM
N#Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)nc1	ZINC000739121802	574199624	/nfs/dbraw/zinc/19/96/24/574199624.db2.gz	VIHWNFITNSHLQZ-UHFFFAOYSA-N	-1	0	267.288	2.714	20	30		CFEDRM
N#Cc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000739146432	574199638	/nfs/dbraw/zinc/19/96/38/574199638.db2.gz	DOVXYLXDSQAUBN-UHFFFAOYSA-N	-1	0	294.310	2.828	20	30		CFEDRM
N#Cc1ccc(N[C@H]2CCCN(C(=O)[O-])C2)cc1Cl	ZINC000739121460	574199675	/nfs/dbraw/zinc/19/96/75/574199675.db2.gz	QPBDDRJBMLTMMV-NSHDSACASA-N	-1	0	279.727	2.766	20	30		CFEDRM
N#Cc1ccccc1/C=C\C(=O)OCc1cc(C(=O)[O-])co1	ZINC000739140112	574199698	/nfs/dbraw/zinc/19/96/98/574199698.db2.gz	PHCSEKALUUCRGG-WAYWQWQTSA-N	-1	0	297.266	2.606	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F	ZINC000738595828	574201528	/nfs/dbraw/zinc/20/15/28/574201528.db2.gz	AAFYUDZICIKBBG-MRVPVSSYSA-N	-1	0	294.286	2.539	20	30		CFEDRM
O=C([O-])COc1cccc(C=NNc2ccccc2)c1	ZINC000733201456	574210714	/nfs/dbraw/zinc/21/07/14/574210714.db2.gz	UQDWOIOXVFTTCJ-UHFFFAOYSA-N	-1	0	270.288	2.596	20	30		CFEDRM
O=C([O-])C[C@H](/N=C\c1cccc(O)c1O)c1ccccc1	ZINC000739624458	574220807	/nfs/dbraw/zinc/22/08/07/574220807.db2.gz	KIBHCEXPRSIMMT-NWRYFCBHSA-N	-1	0	285.299	2.733	20	30		CFEDRM
C=CCOCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21	ZINC000729890624	574235505	/nfs/dbraw/zinc/23/55/05/574235505.db2.gz	MATVCGRWGUBJJC-ZDUSSCGKSA-N	-1	0	296.326	2.571	20	30		CFEDRM
O=C([O-])c1ccc(NN=Cc2c[nH]c3ncccc23)cc1	ZINC000741759554	574244708	/nfs/dbraw/zinc/24/47/08/574244708.db2.gz	LITPKAXLDOIKGP-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
N#CCCCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000740306677	574246186	/nfs/dbraw/zinc/24/61/86/574246186.db2.gz	IRDFLNIKXPMBOX-UHFFFAOYSA-N	-1	0	295.726	2.854	20	30		CFEDRM
O=C([O-])c1occc1/C=C1/Cc2cc(F)ccc2C1=O	ZINC000740308647	574246412	/nfs/dbraw/zinc/24/64/12/574246412.db2.gz	YJLNKOYRMRNAAF-YHYXMXQVSA-N	-1	0	272.231	2.939	20	30		CFEDRM
N#Cc1ccc(NCCCNC(=O)[O-])cc1C(F)(F)F	ZINC000740319205	574247025	/nfs/dbraw/zinc/24/70/25/574247025.db2.gz	NFZYWEADPZJSJM-UHFFFAOYSA-N	-1	0	287.241	2.647	20	30		CFEDRM
N#Cc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1	ZINC000740323389	574247194	/nfs/dbraw/zinc/24/71/94/574247194.db2.gz	PBBKFSYIPFERRM-AWEZNQCLSA-N	-1	0	295.298	2.506	20	30		CFEDRM
N#Cc1cnc(NC[C@H]2CCCCN2C(=O)[O-])c(Cl)c1	ZINC000740322218	574247199	/nfs/dbraw/zinc/24/71/99/574247199.db2.gz	STHZWRXGXLRTCA-SNVBAGLBSA-N	-1	0	294.742	2.551	20	30		CFEDRM
O=C([O-])NC1CCC(N=Nc2ncccc2Cl)CC1	ZINC000740550911	574255442	/nfs/dbraw/zinc/25/54/42/574255442.db2.gz	BICCPRFHYSSYGX-UHFFFAOYSA-N	-1	0	282.731	2.713	20	30		CFEDRM
O=C([O-])NC[C@@H]1CCCC1=NNCCCc1ccccc1	ZINC000740620414	574258453	/nfs/dbraw/zinc/25/84/53/574258453.db2.gz	OWBOTMZEBJSKJQ-AWEZNQCLSA-N	-1	0	289.379	2.633	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccc(F)cc1F	ZINC000740620837	574258685	/nfs/dbraw/zinc/25/86/85/574258685.db2.gz	SXJPPEIUAMUJSQ-MRVPVSSYSA-N	-1	0	283.278	2.800	20	30		CFEDRM
COC(=O)CCC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000756873025	574270145	/nfs/dbraw/zinc/27/01/45/574270145.db2.gz	NSAOOCMETZQRRO-UHFFFAOYSA-N	-1	0	298.726	2.779	20	30		CFEDRM
CCC(N=Nc1cccnn1)c1cc(C(=O)[O-])ccc1F	ZINC000756889149	574270723	/nfs/dbraw/zinc/27/07/23/574270723.db2.gz	HMYPAZOPYYHSSX-UHFFFAOYSA-N	-1	0	288.282	2.540	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccncc1	ZINC000756898845	574271307	/nfs/dbraw/zinc/27/13/07/574271307.db2.gz	DJXXMIWQHNBRAZ-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
CC[C@@H](CC1CCCC1)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000734092293	574273967	/nfs/dbraw/zinc/27/39/67/574273967.db2.gz	JXTQPZHSWQTPJI-NSHDSACASA-N	-1	0	285.351	2.698	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2ccccc2Cl)[nH]1	ZINC000749807836	574309052	/nfs/dbraw/zinc/30/90/52/574309052.db2.gz	PDAFHQWXEGQROY-UHFFFAOYSA-N	-1	0	263.684	2.812	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)c2ccsc2)c1	ZINC000739427611	574310163	/nfs/dbraw/zinc/31/01/63/574310163.db2.gz	WBLHXMLWRDWIFD-LNYFCXHSSA-N	-1	0	292.316	2.514	20	30		CFEDRM
CCC(=NN[C@@H](C)CO)c1cc(Cl)cc(Cl)c1[O-]	ZINC000749820900	574311188	/nfs/dbraw/zinc/31/11/88/574311188.db2.gz	KZOIIDVAVHCQEN-ZETCQYMHSA-N	-1	0	291.178	2.784	20	30		CFEDRM
O=C([O-])c1cc(C(=O)/C=C\c2nccs2)cs1	ZINC000735233042	574316115	/nfs/dbraw/zinc/31/61/15/574316115.db2.gz	YJIZYSVHTHHXKQ-UPHRSURJSA-N	-1	0	265.315	2.799	20	30		CFEDRM
Cc1cccc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c1	ZINC000725857615	574333569	/nfs/dbraw/zinc/33/35/69/574333569.db2.gz	AATXWDTWJPPYTD-UHFFFAOYSA-N	-1	0	295.367	2.876	20	30		CFEDRM
O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccccc1F	ZINC000725860060	574335684	/nfs/dbraw/zinc/33/56/84/574335684.db2.gz	VVCAEWJGDZHMOC-UHFFFAOYSA-N	-1	0	299.330	2.707	20	30		CFEDRM
CC(C)C[C@@H](CNC(=O)[O-])Nc1cccc(F)c1C#N	ZINC000738812663	574338598	/nfs/dbraw/zinc/33/85/98/574338598.db2.gz	UPAQBBDGVQDAPW-JTQLQIEISA-N	-1	0	279.315	2.792	20	30		CFEDRM
C=CCCCNc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC000736102116	574350070	/nfs/dbraw/zinc/35/00/70/574350070.db2.gz	ALPYVGKQBAILBH-UHFFFAOYSA-N	-1	0	263.293	2.550	20	30		CFEDRM
C=CCCOC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000736102471	574350208	/nfs/dbraw/zinc/35/02/08/574350208.db2.gz	JQURSKPSADMIRD-JTQLQIEISA-N	-1	0	280.345	2.985	20	30		CFEDRM
C#CCOc1cccc(OCc2cc(C(=O)[O-])oc2C)c1	ZINC000736087950	574350288	/nfs/dbraw/zinc/35/02/88/574350288.db2.gz	OEQMFYWOECUVAD-UHFFFAOYSA-N	-1	0	286.283	2.877	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000736094617	574350697	/nfs/dbraw/zinc/35/06/97/574350697.db2.gz	PITXNFXZPHLQSL-UHFFFAOYSA-N	-1	0	284.768	2.901	20	30		CFEDRM
C=CCOCC(=O)Oc1cc2ccccc2cc1C(=O)[O-]	ZINC000736109280	574351252	/nfs/dbraw/zinc/35/12/52/574351252.db2.gz	FLQWZCDURSYCRR-UHFFFAOYSA-N	-1	0	286.283	2.646	20	30		CFEDRM
CC[C@H](C)C[C@H](C)/N=C/c1c(O)c(C)ncc1CO	ZINC000743042234	574352105	/nfs/dbraw/zinc/35/21/05/574352105.db2.gz	IIICBYYGRRQFEC-GZSWPZRASA-N	-1	0	264.369	2.832	20	30		CFEDRM
C[C@@H](Nc1ccccc1SC[C@@H](C)C#N)C(=O)[O-]	ZINC000736201528	574354398	/nfs/dbraw/zinc/35/43/98/574354398.db2.gz	HPPZGJXEICLNHT-VHSXEESVSA-N	-1	0	264.350	2.823	20	30		CFEDRM
Cn1nnc2cc(/C=C/C(=O)c3ccc([O-])c(F)c3)ccc21	ZINC000751031385	574368635	/nfs/dbraw/zinc/36/86/35/574368635.db2.gz	ILGVANXXZDXBNU-ZZXKWVIFSA-N	-1	0	297.289	2.709	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNc1ccccc1F	ZINC000751130312	574369980	/nfs/dbraw/zinc/36/99/80/574369980.db2.gz	IASITAOGDSIXIO-UHFFFAOYSA-N	-1	0	275.239	2.886	20	30		CFEDRM
N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2ccccc2o1	ZINC000752478454	574391821	/nfs/dbraw/zinc/39/18/21/574391821.db2.gz	JHWMVJWPBFUTEZ-JTQLQIEISA-N	-1	0	276.255	2.518	20	30		CFEDRM
C[C@]1(C#N)CCCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000753163095	574399732	/nfs/dbraw/zinc/39/97/32/574399732.db2.gz	STYNURXXZGZONW-CQSZACIVSA-N	-1	0	278.739	2.811	20	30		CFEDRM
O=C([O-])NC[C@H]1CCCC1N=Nc1ccc(Cl)nc1	ZINC000832451388	603633969	/nfs/dbraw/zinc/63/39/69/603633969.db2.gz	KYUULPSDKOOJOD-MRVPVSSYSA-N	-1	0	282.731	2.571	20	30		CFEDRM
CCOc1ccc(/C=N/[C@H](CC(C)C)C(=O)[O-])c(O)c1	ZINC000818240067	597016210	/nfs/dbraw/zinc/01/62/10/597016210.db2.gz	OKDVROZIASQGLD-BPKVKKHESA-N	-1	0	279.336	2.709	20	30		CFEDRM
C#Cc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1	ZINC000316611614	597168709	/nfs/dbraw/zinc/16/87/09/597168709.db2.gz	KHQDVQUWRXOXND-UHFFFAOYSA-N	-1	0	294.310	2.688	20	30		CFEDRM
C[C@@H](C#N)CN(Cc1ccc(C(=O)[O-])cc1)C1CC1	ZINC000819873863	597387442	/nfs/dbraw/zinc/38/74/42/597387442.db2.gz	DTUZZJGFYGZYND-NSHDSACASA-N	-1	0	258.321	2.509	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc2ccsc21	ZINC000819857452	597603640	/nfs/dbraw/zinc/60/36/40/597603640.db2.gz	XKFFIDVAVIGEOO-AWEZNQCLSA-N	-1	0	288.328	2.844	20	30		CFEDRM
CCc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1C	ZINC000820480065	597607975	/nfs/dbraw/zinc/60/79/75/597607975.db2.gz	QOCMNCOZCGJHFL-OAHLLOKOSA-N	-1	0	274.320	2.501	20	30		CFEDRM
C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccc(F)cc1F	ZINC000820161853	597623449	/nfs/dbraw/zinc/62/34/49/597623449.db2.gz	SULFFQXUDLGXRL-RMLUDKJBSA-N	-1	0	297.257	2.574	20	30		CFEDRM
N#CC1(COC(=O)c2ccc(C(=O)[O-])cc2)CCCC1	ZINC000821320717	597649679	/nfs/dbraw/zinc/64/96/79/597649679.db2.gz	UJAJWVAPRVHYLR-UHFFFAOYSA-N	-1	0	273.288	2.626	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccc[nH]2)cc1	ZINC000819847074	597662778	/nfs/dbraw/zinc/66/27/78/597662778.db2.gz	JTVYVKPKYHGGDT-INIZCTEOSA-N	-1	0	297.314	2.625	20	30		CFEDRM
O=C([O-])CCNN=Cc1cc(C(F)(F)F)ccc1Cl	ZINC000821524811	597742273	/nfs/dbraw/zinc/74/22/73/597742273.db2.gz	HGBXFILDSPXUIA-UHFFFAOYSA-N	-1	0	294.660	2.757	20	30		CFEDRM
N#Cc1cnc(NCc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000821340412	598181944	/nfs/dbraw/zinc/18/19/44/598181944.db2.gz	GLPKVGRNYJIUBK-UHFFFAOYSA-N	-1	0	287.706	2.917	20	30		CFEDRM
CCSc1cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1	ZINC000820405419	598227788	/nfs/dbraw/zinc/22/77/88/598227788.db2.gz	KYLOIGUQKCBBBI-AWEZNQCLSA-N	-1	0	292.360	2.742	20	30		CFEDRM
Cc1nc(Nc2ccc(C#N)cc2)sc1C(=O)[O-]	ZINC000155975107	599734238	/nfs/dbraw/zinc/73/42/38/599734238.db2.gz	PFQBFPMIHBTVQH-UHFFFAOYSA-N	-1	0	259.290	2.765	20	30		CFEDRM
N#Cc1ccc(/C=C\C(=O)Nc2ccsc2C(=O)[O-])cc1	ZINC000208508429	599803064	/nfs/dbraw/zinc/80/30/64/599803064.db2.gz	MRKZVGGHOZIUEO-WAYWQWQTSA-N	-1	0	298.323	2.970	20	30		CFEDRM
N#Cc1cc(F)ccc1COc1ccc(C(=O)[O-])cc1	ZINC000071249554	599891099	/nfs/dbraw/zinc/89/10/99/599891099.db2.gz	JTPSGMQWJKENFP-UHFFFAOYSA-N	-1	0	271.247	2.975	20	30		CFEDRM
N#Cc1ccc(N2CCC(CC(=O)[O-])CC2)cc1Cl	ZINC000093680003	600196266	/nfs/dbraw/zinc/19/62/66/600196266.db2.gz	YHZYIGWQHSAZAT-UHFFFAOYSA-N	-1	0	278.739	2.903	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000163116512	600268420	/nfs/dbraw/zinc/26/84/20/600268420.db2.gz	XXFTZOBRKCIRHK-SECBINFHSA-N	-1	0	262.309	2.779	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000163124009	600268440	/nfs/dbraw/zinc/26/84/40/600268440.db2.gz	ZUYGFUKSQMKXQQ-MRVPVSSYSA-N	-1	0	266.272	2.610	20	30		CFEDRM
C=CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000136011950	600277838	/nfs/dbraw/zinc/27/78/38/600277838.db2.gz	DMKSQYVSZGQGRE-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
C=CCN(Cc1ccoc1C(=O)[O-])CC(F)(F)F	ZINC000708424934	600499678	/nfs/dbraw/zinc/49/96/78/600499678.db2.gz	NQGXAQKGDOKVAM-UHFFFAOYSA-N	-1	0	263.215	2.528	20	30		CFEDRM
O=C([O-])c1ccc(O)c(C=NNc2cccc(F)c2F)c1	ZINC000833322287	600724651	/nfs/dbraw/zinc/72/46/51/600724651.db2.gz	ZTBDLPNOLANVQE-UHFFFAOYSA-N	-1	0	292.241	2.815	20	30		CFEDRM
C/C(=C/CSc1nc2c(c(C)c1C#N)CCC2)C(=O)[O-]	ZINC000825792851	600726462	/nfs/dbraw/zinc/72/64/62/600726462.db2.gz	JNYHOBFCWRCICC-TWGQIWQCSA-N	-1	0	288.372	2.873	20	30		CFEDRM
C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000820130275	600790198	/nfs/dbraw/zinc/79/01/98/600790198.db2.gz	ZAOKBKIWEWUJEC-NSHDSACASA-N	-1	0	294.310	2.747	20	30		CFEDRM
C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C#N)c1	ZINC000820130274	600790370	/nfs/dbraw/zinc/79/03/70/600790370.db2.gz	ZAOKBKIWEWUJEC-LLVKDONJSA-N	-1	0	294.310	2.747	20	30		CFEDRM
C[C@@H](C#N)CN(C)CCOc1ccc(C(=O)[O-])cc1Cl	ZINC000825966887	600821241	/nfs/dbraw/zinc/82/12/41/600821241.db2.gz	OYABZUPIZODOET-JTQLQIEISA-N	-1	0	296.754	2.508	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000111475924	600914432	/nfs/dbraw/zinc/91/44/32/600914432.db2.gz	DDIVHVMPYXKYKM-STQMWFEESA-N	-1	0	286.331	2.696	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C1CC1	ZINC000825600291	601143265	/nfs/dbraw/zinc/14/32/65/601143265.db2.gz	IDYXNRDJZBDPHH-CYBMUJFWSA-N	-1	0	273.288	2.735	20	30		CFEDRM
C#CC[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)C(C)C	ZINC000825600314	601194417	/nfs/dbraw/zinc/19/44/17/601194417.db2.gz	JKLXMNPSVWPBDZ-SECBINFHSA-N	-1	0	266.318	2.651	20	30		CFEDRM
COc1ccc2c(c1)O/C(=C/c1ccoc1C(=O)[O-])C2=O	ZINC000832500276	601222947	/nfs/dbraw/zinc/22/29/47/601222947.db2.gz	VTXSGHMWXLNXGF-WUXMJOGZSA-N	-1	0	286.239	2.603	20	30		CFEDRM
COc1ccc(C(=O)[O-])c(NCc2cccc(C#N)c2)c1	ZINC000832179214	601250235	/nfs/dbraw/zinc/25/02/35/601250235.db2.gz	WKTCNCPOKIOYSU-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
COc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1	ZINC000832562659	601297623	/nfs/dbraw/zinc/29/76/23/601297623.db2.gz	PPMYTUGMZQYQSW-HNNXBMFYSA-N	-1	0	282.299	2.805	20	30		CFEDRM
N#Cc1cccc([C@@H](Nc2ccc3c(c2)CCO3)C(=O)[O-])c1	ZINC000833076504	601299984	/nfs/dbraw/zinc/29/99/84/601299984.db2.gz	WHYNGPAVZVMDGX-MRXNPFEDSA-N	-1	0	294.310	2.731	20	30		CFEDRM
COc1cc(C)ccc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000831967465	601330777	/nfs/dbraw/zinc/33/07/77/601330777.db2.gz	YUIJINZTZOPUMU-YVMONPNESA-N	-1	0	285.299	2.926	20	30		CFEDRM
Cc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832963808	601330850	/nfs/dbraw/zinc/33/08/50/601330850.db2.gz	QNEBXDPPKWCJJY-VURMDHGXSA-N	-1	0	255.273	2.917	20	30		CFEDRM
COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C(=O)[O-])[nH]1)CC2	ZINC000832487263	601332608	/nfs/dbraw/zinc/33/26/08/601332608.db2.gz	UVOOCXYIMQEBNQ-FLIBITNWSA-N	-1	0	297.310	2.934	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)c2cccs2)C(=O)[O-])c1	ZINC000833077595	601345572	/nfs/dbraw/zinc/34/55/72/601345572.db2.gz	XEWLFHIWVMBOSW-LBPRGKRZSA-N	-1	0	287.296	2.602	20	30		CFEDRM
CCC(CC)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828854554	601349000	/nfs/dbraw/zinc/34/90/00/601349000.db2.gz	KQUNGLRWHZFJGI-CYBMUJFWSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CCC(CC)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000828854555	601349068	/nfs/dbraw/zinc/34/90/68/601349068.db2.gz	KQUNGLRWHZFJGI-ZDUSSCGKSA-N	-1	0	275.304	2.663	20	30		CFEDRM
CC(C)[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826677809	601353386	/nfs/dbraw/zinc/35/33/86/601353386.db2.gz	ZTVOXGDGXOEURD-MFKMUULPSA-N	-1	0	275.304	2.519	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(=O)[O-])c1	ZINC000833074715	601355795	/nfs/dbraw/zinc/35/57/95/601355795.db2.gz	DUAPODDDBZJSRK-CBBWQLFWSA-N	-1	0	299.326	2.663	20	30		CFEDRM
C=CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000825671105	601436788	/nfs/dbraw/zinc/43/67/88/601436788.db2.gz	CJJYVRLTMQAHIP-ZDUSSCGKSA-N	-1	0	279.311	2.814	20	30		CFEDRM
COc1ccc(C)cc1C(=O)/C=C\c1ccc(C(=O)[O-])[nH]1	ZINC000832252282	601445563	/nfs/dbraw/zinc/44/55/63/601445563.db2.gz	KVVMGQYLPKDTIY-ALCCZGGFSA-N	-1	0	285.299	2.926	20	30		CFEDRM
Cc1cc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)o1	ZINC000832872442	601469153	/nfs/dbraw/zinc/46/91/53/601469153.db2.gz	UNXFMRLHWQSADQ-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
C=C(C)CN(CC)C(=O)CNc1cc(C(=O)[O-])ccc1C	ZINC000825642128	601611445	/nfs/dbraw/zinc/61/14/45/601611445.db2.gz	IIYMHLDBSYQAQJ-UHFFFAOYSA-N	-1	0	290.363	2.530	20	30		CFEDRM
N#CCOc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000833067532	601791453	/nfs/dbraw/zinc/79/14/53/601791453.db2.gz	FWQBIIIYIFCGOE-BHQIHCQQSA-N	-1	0	296.282	2.511	20	30		CFEDRM
Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH]c(C(=O)[O-])c1)C2	ZINC000832962032	601793105	/nfs/dbraw/zinc/79/31/05/601793105.db2.gz	OQEKZQYDUIAKLE-LFYBBSHMSA-N	-1	0	267.284	2.844	20	30		CFEDRM
CC1(C)CCCN(C(=O)c2cccc(F)c2[O-])[C@@H]1C#N	ZINC000935662733	649927307	/nfs/dbraw/zinc/92/73/07/649927307.db2.gz	JFQVWZBZBACWKN-GFCCVEGCSA-N	-1	0	276.311	2.686	20	30		CFEDRM
Cc1cccc2c1OC/C(=C\c1c[nH]c(C(=O)[O-])c1)C2=O	ZINC000832974999	601793179	/nfs/dbraw/zinc/79/31/79/601793179.db2.gz	UXSNWROGUZWDII-VZUCSPMQSA-N	-1	0	283.283	2.680	20	30		CFEDRM
COc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1	ZINC000832419594	601825512	/nfs/dbraw/zinc/82/55/12/601825512.db2.gz	QEQIFJKSJOPIJY-GORDUTHDSA-N	-1	0	288.255	2.588	20	30		CFEDRM
Cc1ccnc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000794918578	602076311	/nfs/dbraw/zinc/07/63/11/602076311.db2.gz	JJEBOUBQWGPWSF-GFCCVEGCSA-N	-1	0	299.330	2.688	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C\C(=O)c2cccnc2)cc1)C(=O)[O-]	ZINC000827884694	602106105	/nfs/dbraw/zinc/10/61/05/602106105.db2.gz	YOJMSXVKLOTLPX-PWWFUAJNSA-N	-1	0	297.310	2.830	20	30		CFEDRM
CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1C#N	ZINC000128988046	602147216	/nfs/dbraw/zinc/14/72/16/602147216.db2.gz	CJNQXOBRGIWVSW-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-]	ZINC000825659830	602152505	/nfs/dbraw/zinc/15/25/05/602152505.db2.gz	HKFATQGYDMEJDP-UHFFFAOYSA-N	-1	0	262.309	2.728	20	30		CFEDRM
C=C(C)[C@H]1CC=C(COC(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000825642340	602194847	/nfs/dbraw/zinc/19/48/47/602194847.db2.gz	PWCIWGGJBVPPBO-AAEUAGOBSA-N	-1	0	266.337	2.943	20	30		CFEDRM
C=CCC(CC=C)C(=O)OCc1cc(C(=O)[O-])co1	ZINC000825664734	602283519	/nfs/dbraw/zinc/28/35/19/602283519.db2.gz	JXKKONTWXSFOLU-UHFFFAOYSA-N	-1	0	264.277	2.789	20	30		CFEDRM
Cc1ccc(C#N)cc1OCc1cc(C(=O)[O-])co1	ZINC000232309153	602306941	/nfs/dbraw/zinc/30/69/41/602306941.db2.gz	IWRUCGPTGNPEOA-UHFFFAOYSA-N	-1	0	257.245	2.737	20	30		CFEDRM
COc1cc(F)cc(NN=Cc2cc(C(=O)[O-])c(C)o2)c1	ZINC000832011457	602312529	/nfs/dbraw/zinc/31/25/29/602312529.db2.gz	YZTAHBCIMFWOHE-UHFFFAOYSA-N	-1	0	292.266	2.880	20	30		CFEDRM
C[C@@H](CC(=O)[O-])SCc1cc(F)ccc1C#N	ZINC000090097413	602313100	/nfs/dbraw/zinc/31/31/00/602313100.db2.gz	JYAXVKYYMHHWBQ-QMMMGPOBSA-N	-1	0	253.298	2.794	20	30		CFEDRM
C=CC1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC000825659708	602376893	/nfs/dbraw/zinc/37/68/93/602376893.db2.gz	AAXXYZPYJBXDKR-UHFFFAOYSA-N	-1	0	292.310	2.954	20	30		CFEDRM
C=CCCCCCN(C)C(=O)C[C@@H]1CCCN1C(=O)[O-]	ZINC000823496499	602978188	/nfs/dbraw/zinc/97/81/88/602978188.db2.gz	KDURSNUOAFGEFP-ZDUSSCGKSA-N	-1	0	282.384	2.724	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000739285071	603294812	/nfs/dbraw/zinc/29/48/12/603294812.db2.gz	QEENYLIDOSKLGE-VIFPVBQESA-N	-1	0	295.726	2.852	20	30		CFEDRM
CCN(C[C@@H](C)C#N)C(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000827020672	603348698	/nfs/dbraw/zinc/34/86/98/603348698.db2.gz	ZHPBNUPHMVYHKJ-JTQLQIEISA-N	-1	0	289.335	2.707	20	30		CFEDRM
C=C(Cl)CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1	ZINC000823486495	603373774	/nfs/dbraw/zinc/37/37/74/603373774.db2.gz	XKUNMMZFJBXVOR-VIFPVBQESA-N	-1	0	297.742	2.889	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Oc1cccc(NC(=O)[O-])c1	ZINC000823496638	603474410	/nfs/dbraw/zinc/47/44/10/603474410.db2.gz	NNMURIJABZQLTI-JTQLQIEISA-N	-1	0	279.292	2.663	20	30		CFEDRM
C[C@@H](NN=Cc1ccc(NC(=O)[O-])nc1)c1ccccc1	ZINC000825502086	603487124	/nfs/dbraw/zinc/48/71/24/603487124.db2.gz	HCNJNFAGRBYLED-LLVKDONJSA-N	-1	0	284.319	2.856	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](N(C)C(=O)[O-])C1	ZINC000826819842	603515672	/nfs/dbraw/zinc/51/56/72/603515672.db2.gz	HEVDKNZDHZGELA-GFCCVEGCSA-N	-1	0	270.373	2.558	20	30		CFEDRM
C=C(C)CCOC(=O)c1ccc(CNC(=O)[O-])cc1	ZINC000823474347	603518407	/nfs/dbraw/zinc/51/84/07/603518407.db2.gz	OCKDMAYTLUYXGV-UHFFFAOYSA-N	-1	0	263.293	2.577	20	30		CFEDRM
Cc1ccc(C(=O)O[C@H](C#N)C2CC2)cc1NC(=O)[O-]	ZINC000830233853	603614943	/nfs/dbraw/zinc/61/49/43/603614943.db2.gz	JQRPHQVGLBQRTC-GFCCVEGCSA-N	-1	0	274.276	2.544	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000823496844	603657273	/nfs/dbraw/zinc/65/72/73/603657273.db2.gz	QDADIWNJQQKRLY-QWHCGFSZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C#Cc1ccc(NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000900354971	620663602	/nfs/dbraw/zinc/66/36/02/620663602.db2.gz	DGRMZGYAZDBADN-AWEZNQCLSA-N	-1	0	288.347	2.631	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(OC)cc1C)C(=O)[O-]	ZINC000900327931	620662506	/nfs/dbraw/zinc/66/25/06/620662506.db2.gz	FRPGROBDNLKCSZ-ZDUSSCGKSA-N	-1	0	292.335	2.545	20	30		CFEDRM
O=C([O-])N1CCC(CN=Nc2ncccc2Cl)CC1	ZINC000831868862	603859014	/nfs/dbraw/zinc/85/90/14/603859014.db2.gz	DLDYIZYEIZCNOJ-UHFFFAOYSA-N	-1	0	282.731	2.523	20	30		CFEDRM
C=C1CCN(C(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])CC1	ZINC000823486490	603947175	/nfs/dbraw/zinc/94/71/75/603947175.db2.gz	XKMUDDNYUKFEEJ-KBPBESRZSA-N	-1	0	294.395	2.772	20	30		CFEDRM
C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-]	ZINC000823496290	603990896	/nfs/dbraw/zinc/99/08/96/603990896.db2.gz	HHIKWAVWIILZFD-UONOGXRCSA-N	-1	0	294.395	2.866	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-]	ZINC000823490891	604046306	/nfs/dbraw/zinc/04/63/06/604046306.db2.gz	NDBGROFUIFRTFF-JSGCOSHPSA-N	-1	0	294.395	2.792	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-]	ZINC000823491573	604067043	/nfs/dbraw/zinc/06/70/43/604067043.db2.gz	XHHCWLAUCFGVQA-UONOGXRCSA-N	-1	0	294.395	2.697	20	30		CFEDRM
C=CCC(CC=C)C(=O)OCC1CCN(C(=O)[O-])CC1	ZINC000823491619	604069511	/nfs/dbraw/zinc/06/95/11/604069511.db2.gz	YYEBQGHVZFTHMM-UHFFFAOYSA-N	-1	0	281.352	2.688	20	30		CFEDRM
N#Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl	ZINC000900400353	620670158	/nfs/dbraw/zinc/67/01/58/620670158.db2.gz	MEHSYJYGCWTRJC-QWHCGFSZSA-N	-1	0	290.750	2.759	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1	ZINC000823451267	604210441	/nfs/dbraw/zinc/21/04/41/604210441.db2.gz	RHXVRQLBIBOMAL-LLVKDONJSA-N	-1	0	289.335	2.502	20	30		CFEDRM
C=C(C)COC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000823480612	604387703	/nfs/dbraw/zinc/38/77/03/604387703.db2.gz	IFAKHNKOQCIEGF-NSHDSACASA-N	-1	0	269.341	2.522	20	30		CFEDRM
N#CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1	ZINC000833065992	604389322	/nfs/dbraw/zinc/38/93/22/604389322.db2.gz	MTJAVRLXHNHJRC-UHFFFAOYSA-N	-1	0	298.273	2.694	20	30		CFEDRM
C=CCCC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1	ZINC000833373615	604486372	/nfs/dbraw/zinc/48/63/72/604486372.db2.gz	UNTOZKAGEIHZSE-UHFFFAOYSA-N	-1	0	299.330	2.784	20	30		CFEDRM
COc1ccc(O)c(/C=N/CCc2cccc(C(=O)[O-])c2)c1	ZINC000833733242	604533807	/nfs/dbraw/zinc/53/38/07/604533807.db2.gz	DYBMZFFCPKXHCX-WOJGMQOQSA-N	-1	0	299.326	2.761	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccccc1C(=O)[O-])OCC	ZINC000819705837	604539599	/nfs/dbraw/zinc/53/95/99/604539599.db2.gz	IJWXTBRKYVEFSX-CYBMUJFWSA-N	-1	0	277.320	2.695	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccccc1	ZINC000825665395	604559954	/nfs/dbraw/zinc/55/99/54/604559954.db2.gz	ZVHOBRHAXINETB-OCCSQVGLSA-N	-1	0	275.348	2.921	20	30		CFEDRM
C=CCCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825664980	604578341	/nfs/dbraw/zinc/57/83/41/604578341.db2.gz	RUBJTVWGRDFWON-SECBINFHSA-N	-1	0	252.266	2.857	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1)OCC	ZINC000833368889	604597667	/nfs/dbraw/zinc/59/76/67/604597667.db2.gz	WPXPOERZGFBODA-CQSZACIVSA-N	-1	0	292.331	2.799	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Oc1ccccc1C(=O)[O-])OCC	ZINC000833368418	604601414	/nfs/dbraw/zinc/60/14/14/604601414.db2.gz	HPWMFJDAIJTLQE-CYBMUJFWSA-N	-1	0	278.304	2.662	20	30		CFEDRM
N#CCCN(Cc1ccccc1C(=O)[O-])CC1CC1	ZINC000833760564	604634627	/nfs/dbraw/zinc/63/46/27/604634627.db2.gz	YKCXXHRHQKGFNI-UHFFFAOYSA-N	-1	0	258.321	2.510	20	30		CFEDRM
C#CC[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C1CC1	ZINC000833363013	604786304	/nfs/dbraw/zinc/78/63/04/604786304.db2.gz	WOKMSYHYRHLFFX-OAHLLOKOSA-N	-1	0	286.327	2.663	20	30		CFEDRM
CC1=C(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)CCC1	ZINC000833578853	604880734	/nfs/dbraw/zinc/88/07/34/604880734.db2.gz	LBGBFUUEFLPKOG-CQSZACIVSA-N	-1	0	285.299	2.728	20	30		CFEDRM
C#CCCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1	ZINC000692864634	605004632	/nfs/dbraw/zinc/00/46/32/605004632.db2.gz	COJVQTLLURNCBK-LLVKDONJSA-N	-1	0	279.361	2.574	20	30		CFEDRM
CC#CCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000833380603	605005635	/nfs/dbraw/zinc/00/56/35/605005635.db2.gz	KUUOHXPKMWRBNB-NSHDSACASA-N	-1	0	272.131	2.732	20	30		CFEDRM
C=C(CC)COC(=O)c1ccc(NC(=O)[O-])c(O)c1	ZINC000833370215	605015318	/nfs/dbraw/zinc/01/53/18/605015318.db2.gz	MHIKMOURANCTPE-UHFFFAOYSA-N	-1	0	265.265	2.605	20	30		CFEDRM
C=C[C@@H](CC(=O)O[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000833370935	605017360	/nfs/dbraw/zinc/01/73/60/605017360.db2.gz	JLJXHNOMARKPTM-AAEUAGOBSA-N	-1	0	262.305	2.753	20	30		CFEDRM
C#CCCCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000833362967	605018613	/nfs/dbraw/zinc/01/86/13/605018613.db2.gz	UJMOBBRURSHVAR-AWEZNQCLSA-N	-1	0	278.279	2.688	20	30		CFEDRM
C=CCCC[C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000833374333	605021854	/nfs/dbraw/zinc/02/18/54/605021854.db2.gz	YAVCRILIIDELPP-MNOVXSKESA-N	-1	0	257.330	2.567	20	30		CFEDRM
C[C@H](C(=O)[O-])n1cccc1C=NOCc1ccccc1	ZINC000833407109	605038993	/nfs/dbraw/zinc/03/89/93/605038993.db2.gz	RBUVRTUUWRTSHD-GFCCVEGCSA-N	-1	0	272.304	2.684	20	30		CFEDRM
COc1ccc(NN=Cc2cccn2[C@@H](C)C(=O)[O-])cc1	ZINC000833733567	605041310	/nfs/dbraw/zinc/04/13/10/605041310.db2.gz	UMLIGQJKRRELLD-NSHDSACASA-N	-1	0	287.319	2.588	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000833374046	605076966	/nfs/dbraw/zinc/07/69/66/605076966.db2.gz	OTQKHVYQFNQNBF-SNVBAGLBSA-N	-1	0	279.340	2.590	20	30		CFEDRM
C[C@H](Oc1ccc(/C=C/C(=O)c2ccncc2)cc1)C(=O)[O-]	ZINC000794691531	605100991	/nfs/dbraw/zinc/10/09/91/605100991.db2.gz	QBYKFHKWVJHCKR-NTYUQYKDSA-N	-1	0	297.310	2.830	20	30		CFEDRM
CN(C(=O)[O-])c1ccccc1C(=O)OCCC(C)(C)C#N	ZINC000833685382	605159981	/nfs/dbraw/zinc/15/99/81/605159981.db2.gz	LZWOHNQQLFLLFC-UHFFFAOYSA-N	-1	0	290.319	2.897	20	30		CFEDRM
C=CCN(C(=O)c1cncc(C(=O)[O-])c1)c1ccccc1	ZINC000833375462	605214659	/nfs/dbraw/zinc/21/46/59/605214659.db2.gz	YYSWCHGHPSJNTE-UHFFFAOYSA-N	-1	0	282.299	2.613	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccsc1C(=O)[O-]	ZINC000236484582	605214750	/nfs/dbraw/zinc/21/47/50/605214750.db2.gz	JLCIXJOLLJIGJK-UHFFFAOYSA-N	-1	0	251.307	2.578	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000191131984	605259033	/nfs/dbraw/zinc/25/90/33/605259033.db2.gz	QQVVUZQWBVDPHJ-UHFFFAOYSA-N	-1	0	287.359	2.912	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)OCc1ccc(NC(=O)[O-])cc1	ZINC000833374213	605302923	/nfs/dbraw/zinc/30/29/23/605302923.db2.gz	URDOCOPOWWFZHS-LLVKDONJSA-N	-1	0	293.319	2.801	20	30		CFEDRM
Cc1ccnc(N=NC(C)c2ccccc2OCC(=O)[O-])c1	ZINC000833386681	605329583	/nfs/dbraw/zinc/32/95/83/605329583.db2.gz	RXAOIUOSIMITPW-UHFFFAOYSA-N	-1	0	299.330	2.690	20	30		CFEDRM
C#CCCCOC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000823444099	605344666	/nfs/dbraw/zinc/34/46/66/605344666.db2.gz	DJVQKPFKKXWMPX-UHFFFAOYSA-N	-1	0	261.277	2.655	20	30		CFEDRM
C=C(C)CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000135312077	605394121	/nfs/dbraw/zinc/39/41/21/605394121.db2.gz	HFCPMYKYOZLERE-UHFFFAOYSA-N	-1	0	266.272	2.564	20	30		CFEDRM
Cc1ccc(N=NC(C)C[C@@H]2CCCN2C(=O)[O-])nc1	ZINC000824760169	605466066	/nfs/dbraw/zinc/46/60/66/605466066.db2.gz	SIPAJWAHDCDILS-LBPRGKRZSA-N	-1	0	276.340	2.710	20	30		CFEDRM
CC#CCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000158579241	605505800	/nfs/dbraw/zinc/50/58/00/605505800.db2.gz	ASYCCRXIVXJGLD-UHFFFAOYSA-N	-1	0	280.711	2.573	20	30		CFEDRM
CC(C)Oc1ccc(NCc2c[nH]c(C(=O)[O-])c2)cc1C#N	ZINC000833506465	605550598	/nfs/dbraw/zinc/55/05/98/605550598.db2.gz	DDYUOOPGQKVJJG-UHFFFAOYSA-N	-1	0	299.330	2.984	20	30		CFEDRM
C#CCCCCCC(=O)OCc1cc(C(=O)[O-])c(C)o1	ZINC000833361533	605576966	/nfs/dbraw/zinc/57/69/66/605576966.db2.gz	AHVSOHYUCYHMMJ-UHFFFAOYSA-N	-1	0	278.304	2.913	20	30		CFEDRM
CC(=NN[C@@H]1CCO[C@H](C)C1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814897301	605579661	/nfs/dbraw/zinc/57/96/61/605579661.db2.gz	OWPNHNGKHCMXDO-OUCADQQQSA-N	-1	0	284.400	2.801	20	30		CFEDRM
C#CCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000833361971	605598355	/nfs/dbraw/zinc/59/83/55/605598355.db2.gz	UMXIKKJNHTUEHI-KKUMJFAQSA-N	-1	0	291.391	2.814	20	30		CFEDRM
C#CCCCCCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-]	ZINC000833361599	605627871	/nfs/dbraw/zinc/62/78/71/605627871.db2.gz	CPUGLZIVCWRWQV-BBRMVZONSA-N	-1	0	279.380	2.720	20	30		CFEDRM
NC(=NOCc1cccc(NC(=O)[O-])c1)c1cccs1	ZINC000833979071	605633282	/nfs/dbraw/zinc/63/32/82/605633282.db2.gz	COVDCFHUWQSODO-UHFFFAOYSA-N	-1	0	291.332	2.675	20	30		CFEDRM
C#CCCCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000833361866	605673504	/nfs/dbraw/zinc/67/35/04/605673504.db2.gz	PPFLPEYPTRWCSP-MRXNPFEDSA-N	-1	0	299.326	2.811	20	30		CFEDRM
C#CCCCCCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1	ZINC000833361636	605679198	/nfs/dbraw/zinc/67/91/98/605679198.db2.gz	FOVROPSGWOXRCU-UHFFFAOYSA-N	-1	0	291.347	2.828	20	30		CFEDRM
C#CCCCCCC(=O)Oc1cccc(CC(=O)[O-])c1	ZINC000833362093	605697569	/nfs/dbraw/zinc/69/75/69/605697569.db2.gz	YYLKTFDPALBTAW-UHFFFAOYSA-N	-1	0	274.316	2.803	20	30		CFEDRM
CC1(C#N)CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1	ZINC000833551163	605728123	/nfs/dbraw/zinc/72/81/23/605728123.db2.gz	HRRPFZKFXPAOHG-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cccc(F)c1F	ZINC000834171642	605861810	/nfs/dbraw/zinc/86/18/10/605861810.db2.gz	ZYMJDXSJUQIREK-QMMMGPOBSA-N	-1	0	269.251	2.553	20	30		CFEDRM
CCCCCCCC(=O)N1C[C@H](CNC(=O)[O-])C[C@H]1C	ZINC000833853574	605939327	/nfs/dbraw/zinc/93/93/27/605939327.db2.gz	QWXOINVLJCWXHK-OLZOCXBDSA-N	-1	0	284.400	2.852	20	30		CFEDRM
N#Cc1ccc([C@H](O)COc2ccc(NC(=O)[O-])cc2)cc1	ZINC000833973915	606037843	/nfs/dbraw/zinc/03/78/43/606037843.db2.gz	SAXUFZXFXRZQHV-OAHLLOKOSA-N	-1	0	298.298	2.761	20	30		CFEDRM
N#CCC[C@@H](C#N)COc1cccc2c1N(C(=O)[O-])CCC2	ZINC000833968491	606038121	/nfs/dbraw/zinc/03/81/21/606038121.db2.gz	LDUFNHVTGCSKOI-LBPRGKRZSA-N	-1	0	299.330	2.940	20	30		CFEDRM
N#Cc1ccc(N=NC2CCCCC[C@@H]2NC(=O)[O-])cc1	ZINC000833975641	606077607	/nfs/dbraw/zinc/07/76/07/606077607.db2.gz	OAZKZPMZPMFQFR-ZDUSSCGKSA-N	-1	0	286.335	2.926	20	30		CFEDRM
N#Cc1ccc(N=NC2CCCCC[C@H]2NC(=O)[O-])cc1	ZINC000833975639	606077961	/nfs/dbraw/zinc/07/79/61/606077961.db2.gz	OAZKZPMZPMFQFR-CYBMUJFWSA-N	-1	0	286.335	2.926	20	30		CFEDRM
CCCCCCCN=Nc1oc(C)nc1-c1nnn[n-]1	ZINC000825271395	607886840	/nfs/dbraw/zinc/88/68/40/607886840.db2.gz	IYGHYLSDGQQXEB-UHFFFAOYSA-N	-1	0	277.332	2.531	20	30		CFEDRM
[O-]c1c(F)cc(Cl)cc1C=NNC[C@H]1CCSC1	ZINC000811661937	617693251	/nfs/dbraw/zinc/69/32/51/617693251.db2.gz	XEDJPTQMVVPHLN-MRVPVSSYSA-N	-1	0	288.775	2.861	20	30		CFEDRM
C#CCOc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000187086459	617670435	/nfs/dbraw/zinc/67/04/35/617670435.db2.gz	WJKDZDUCDNPHJE-UHFFFAOYSA-N	-1	0	293.369	2.561	20	30		CFEDRM
Oc1ccc(C=Nc2ccc(F)c(F)c2)c(O)c1O	ZINC000255084845	617954308	/nfs/dbraw/zinc/95/43/08/617954308.db2.gz	NOLMAZBDOJVDMA-UHFFFAOYSA-N	-1	0	265.215	2.832	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)c(C(=O)[O-])s1	ZINC000900940513	620733742	/nfs/dbraw/zinc/73/37/42/620733742.db2.gz	JHRQRLZWCRCNRB-ZJUUUORDSA-N	-1	0	282.365	2.543	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCCOc1ccccc1	ZINC000049417747	617604027	/nfs/dbraw/zinc/60/40/27/617604027.db2.gz	NNVVDSJZHIDMIR-UHFFFAOYSA-N	-1	0	285.365	2.540	20	30		CFEDRM
CC(C)S(=O)(=O)[N-]C(=O)CCCc1cccs1	ZINC000049417859	617604278	/nfs/dbraw/zinc/60/42/78/617604278.db2.gz	HPHRFMZEZPPSCC-UHFFFAOYSA-N	-1	0	275.395	2.766	20	30		CFEDRM
CCOc1ccccc1CCC(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417489	617604289	/nfs/dbraw/zinc/60/42/89/617604289.db2.gz	VENODHKKKHVEOW-UHFFFAOYSA-N	-1	0	299.392	2.713	20	30		CFEDRM
C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000049501608	617607254	/nfs/dbraw/zinc/60/72/54/617607254.db2.gz	VBYQPVMYLMVSAZ-YGRLFVJLSA-N	-1	0	291.372	2.916	20	30		CFEDRM
N#Cc1cc(NCc2ccccc2C(=O)[O-])nc(C2CC2)n1	ZINC000900965054	620738313	/nfs/dbraw/zinc/73/83/13/620738313.db2.gz	KCNTTWXBFNEFDG-UHFFFAOYSA-N	-1	0	294.314	2.536	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2nc(C#N)c(Cl)s2)C1	ZINC000900986969	620739794	/nfs/dbraw/zinc/73/97/94/620739794.db2.gz	JWTYSEJMZNWOET-LBPRGKRZSA-N	-1	0	299.783	2.749	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2nc(C#N)c(Cl)s2)C1	ZINC000900986968	620739902	/nfs/dbraw/zinc/73/99/02/620739902.db2.gz	JWTYSEJMZNWOET-GFCCVEGCSA-N	-1	0	299.783	2.749	20	30		CFEDRM
CC(C)c1nn(C)cc1-c1cccc(OCC(=O)[O-])c1C#N	ZINC000901001193	620740232	/nfs/dbraw/zinc/74/02/32/620740232.db2.gz	PROPYUYSBNIKQP-UHFFFAOYSA-N	-1	0	299.330	2.546	20	30		CFEDRM
COC[C@H](C)C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000255006880	617726314	/nfs/dbraw/zinc/72/63/14/617726314.db2.gz	IRMQTYJZBRJQHH-AXFUIOLUSA-N	-1	0	286.715	2.655	20	30		CFEDRM
CS[C@@H]1CCCC(=NNc2cnnc([O-])c2Cl)C1	ZINC000901165353	620760536	/nfs/dbraw/zinc/76/05/36/620760536.db2.gz	XHSYRXDJPMMKFM-MRVPVSSYSA-N	-1	0	286.788	2.909	20	30		CFEDRM
Cc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1C	ZINC000255060976	617938316	/nfs/dbraw/zinc/93/83/16/617938316.db2.gz	PLZWLOXSDUGCBG-WLMCBFPDSA-N	-1	0	284.311	2.532	20	30		CFEDRM
Cc1ccc(C=NO[C@@H]2CCCCO2)cc1C(=O)[O-]	ZINC000901206047	620764609	/nfs/dbraw/zinc/76/46/09/620764609.db2.gz	UKGIFVIBORLWSV-CYBMUJFWSA-N	-1	0	263.293	2.570	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(C#N)c(Cl)c2)C1	ZINC000263130111	617958613	/nfs/dbraw/zinc/95/86/13/617958613.db2.gz	FWHAPYPWGPBSAY-ONGXEEELSA-N	-1	0	278.739	2.759	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccco2)n1	ZINC000255496849	618007636	/nfs/dbraw/zinc/00/76/36/618007636.db2.gz	DUGFCZUJGMTXRT-WYGGZMRJSA-N	-1	0	258.302	2.934	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000042312049	618014749	/nfs/dbraw/zinc/01/47/49/618014749.db2.gz	QRFAOQJOFRRAKM-UHFFFAOYSA-N	-1	0	294.376	2.781	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1C=NNC1CCCCC1	ZINC000901228512	620774329	/nfs/dbraw/zinc/77/43/29/620774329.db2.gz	ZMKOQMGPVWCVOK-UHFFFAOYSA-N	-1	0	276.336	2.650	20	30		CFEDRM
CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccnc1	ZINC000048531620	618072892	/nfs/dbraw/zinc/07/28/92/618072892.db2.gz	XIKMJFDUOCAURN-LLVKDONJSA-N	-1	0	284.381	2.943	20	30		CFEDRM
Cc1ccc(C=NNC2CCSCC2)cc1C(=O)[O-]	ZINC000901275920	620774808	/nfs/dbraw/zinc/77/48/08/620774808.db2.gz	DCZLYQKBONBFLH-UHFFFAOYSA-N	-1	0	278.377	2.512	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](CC)c1ccc(F)cc1	ZINC000846547295	618112165	/nfs/dbraw/zinc/11/21/65/618112165.db2.gz	DERLWEVOIDWTOC-GXFFZTMASA-N	-1	0	251.301	2.942	20	30		CFEDRM
Cc1ccc(C=NN2CCCC[C@H]2C)cc1C(=O)[O-]	ZINC000901261460	620777901	/nfs/dbraw/zinc/77/79/01/620777901.db2.gz	JJLRPJHPDLUSLX-GFCCVEGCSA-N	-1	0	260.337	2.902	20	30		CFEDRM
CCCC[C@@H](ON=C(C)C)C(=O)[N-]O[C@H]1CCCCO1	ZINC000780980836	618127751	/nfs/dbraw/zinc/12/77/51/618127751.db2.gz	UMAJAHDORAPWLC-OLZOCXBDSA-N	-1	0	286.372	2.532	20	30		CFEDRM
CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1csc(C(=O)[O-])c1	ZINC000901301687	620779794	/nfs/dbraw/zinc/77/97/94/620779794.db2.gz	GGKNJFKZVJNEHJ-BZBKMWRSSA-N	-1	0	296.392	2.716	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C2/Oc3ccccc3C2=O)c1	ZINC000033957133	618161825	/nfs/dbraw/zinc/16/18/25/618161825.db2.gz	WQCQIZYGGMHWOQ-OQLLNIDSSA-N	-1	0	296.278	2.766	20	30		CFEDRM
Cc1c2cccc(C)c2oc1C([O-])=C(C#N)C(=O)NC1CC1	ZINC000121330754	618179382	/nfs/dbraw/zinc/17/93/82/618179382.db2.gz	JGDJBAWMUBWNSW-CYBMUJFWSA-N	-1	0	296.326	2.651	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cncc(F)c1	ZINC000255313252	618190946	/nfs/dbraw/zinc/19/09/46/618190946.db2.gz	VHYCCTNKBFKYNW-RJRFIUFISA-N	-1	0	288.234	2.731	20	30		CFEDRM
CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C#N)ccc2[O-])c1C	ZINC000176815627	618204925	/nfs/dbraw/zinc/20/49/25/618204925.db2.gz	KVQUWOHGKOQKCS-UHFFFAOYSA-N	-1	0	297.314	2.664	20	30		CFEDRM
Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1	ZINC000176822186	618206136	/nfs/dbraw/zinc/20/61/36/618206136.db2.gz	AZSPTIDCPFATIQ-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000892407736	618230400	/nfs/dbraw/zinc/23/04/00/618230400.db2.gz	DHPGFMWFLSCFHT-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
C=CC(C)(C)CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000892418061	618234458	/nfs/dbraw/zinc/23/44/58/618234458.db2.gz	NXLQWVOTNLQWIB-ZHACJKMWSA-N	-1	0	293.388	2.706	20	30		CFEDRM
Cc1[nH]c(C=NNC2CCC(F)(F)CC2)cc1C(=O)[O-]	ZINC000901342147	620789230	/nfs/dbraw/zinc/78/92/30/620789230.db2.gz	XUXJGWAQFXFFEN-UHFFFAOYSA-N	-1	0	285.294	2.523	20	30		CFEDRM
C=CCC(C)(C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1	ZINC000909423845	618248491	/nfs/dbraw/zinc/24/84/91/618248491.db2.gz	OPIDZGXEMMPFTD-AWEZNQCLSA-N	-1	0	287.359	2.799	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cscc1C(F)F	ZINC000892457189	618293488	/nfs/dbraw/zinc/29/34/88/618293488.db2.gz	FQWLUHJHIRTYMY-MRVPVSSYSA-N	-1	0	298.314	2.631	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1	ZINC000909450688	618344369	/nfs/dbraw/zinc/34/43/69/618344369.db2.gz	MHKPJTWXOVINDQ-UHFFFAOYSA-N	-1	0	285.343	2.626	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCCc1cccc(C(=O)[O-])c1	ZINC000909464808	618367157	/nfs/dbraw/zinc/36/71/57/618367157.db2.gz	POZOSNYPPNPJHB-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCCCCCC(=O)[O-]	ZINC000909463752	618367209	/nfs/dbraw/zinc/36/72/09/618367209.db2.gz	VMEBADWBBJATOS-ZFWWWQNUSA-N	-1	0	297.395	2.509	20	30		CFEDRM
COc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)ccc1C	ZINC000086055144	618397636	/nfs/dbraw/zinc/39/76/36/618397636.db2.gz	XUBUTEKUALMTHY-UHFFFAOYSA-N	-1	0	297.376	2.581	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NC[C@H](C)CC(=O)[O-]	ZINC000909485025	618412519	/nfs/dbraw/zinc/41/25/19/618412519.db2.gz	JYDBDMYPEFINCX-LLVKDONJSA-N	-1	0	293.388	2.805	20	30		CFEDRM
CC[C@@H](CNc1nc2ccccc2cc1C#N)C(=O)[O-]	ZINC000087510979	618441482	/nfs/dbraw/zinc/44/14/82/618441482.db2.gz	IUPCOEMUTMWZRP-JTQLQIEISA-N	-1	0	269.304	2.629	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2cccnc2)n1	ZINC000255878013	618461918	/nfs/dbraw/zinc/46/19/18/618461918.db2.gz	BXLRZPHTIZORQM-RXNFCKPNSA-N	-1	0	269.329	2.736	20	30		CFEDRM
Cc1ccc(N=NC(C)c2ccc(C(=O)[O-])cc2)nc1	ZINC000727260538	618476652	/nfs/dbraw/zinc/47/66/52/618476652.db2.gz	ZMXRHGGYEVBREK-UHFFFAOYSA-N	-1	0	269.304	2.924	20	30		CFEDRM
CCCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000901418053	620812738	/nfs/dbraw/zinc/81/27/38/620812738.db2.gz	XZDRTVVNHUZMRM-FVNWOWOISA-N	-1	0	298.338	2.867	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1oc2ccccc2c1CC	ZINC000909514953	618532987	/nfs/dbraw/zinc/53/29/87/618532987.db2.gz	NELNRIHXEYSCJA-UHFFFAOYSA-N	-1	0	287.315	2.708	20	30		CFEDRM
C=CCN(Cc1ccc(/C=C/C(=O)[O-])o1)CC(F)(F)F	ZINC000901427291	620815594	/nfs/dbraw/zinc/81/55/94/620815594.db2.gz	XYFUHEVLDBOHLW-AATRIKPKSA-N	-1	0	289.253	2.928	20	30		CFEDRM
C#Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000236563136	618635335	/nfs/dbraw/zinc/63/53/35/618635335.db2.gz	AFXRNKKJEWJCKA-UHFFFAOYSA-N	-1	0	282.255	2.534	20	30		CFEDRM
CC[C@H](NN=C(C)c1csc(Cl)c1)C(=O)[O-]	ZINC000309699589	618747804	/nfs/dbraw/zinc/74/78/04/618747804.db2.gz	SIQGHUIYOHVETA-QMMMGPOBSA-N	-1	0	260.746	2.578	20	30		CFEDRM
Cn1nccc1/C=C/C(=O)c1ccc([O-])c(Cl)c1	ZINC000119266026	618800467	/nfs/dbraw/zinc/80/04/67/618800467.db2.gz	FKTWRYSJNHVPIV-HWKANZROSA-N	-1	0	262.696	2.675	20	30		CFEDRM
CCCCCCCC(=O)[N-]S(=O)(=O)C1(Cl)CC1	ZINC000893244279	618902436	/nfs/dbraw/zinc/90/24/36/618902436.db2.gz	UDVBZUYNUUIMBT-UHFFFAOYSA-N	-1	0	281.805	2.522	20	30		CFEDRM
CC(N=Nc1ccccn1)c1ccc(C(=O)[O-])c(F)c1	ZINC000776758726	618937310	/nfs/dbraw/zinc/93/73/10/618937310.db2.gz	ADDOKESWGRSDHV-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000909333663	618950732	/nfs/dbraw/zinc/95/07/32/618950732.db2.gz	UECMFFIVHIFFRS-HNNXBMFYSA-N	-1	0	261.321	2.855	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@@H](CCCCC)C(=O)[O-]	ZINC000909346226	618972688	/nfs/dbraw/zinc/97/26/88/618972688.db2.gz	JGVIYCGXNCIGJE-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C#CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000909361002	619003148	/nfs/dbraw/zinc/00/31/48/619003148.db2.gz	ILMVGEPCODOQLC-ZDUSSCGKSA-N	-1	0	293.750	2.776	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000909383456	619040734	/nfs/dbraw/zinc/04/07/34/619040734.db2.gz	UUUDADXUDMUMBY-UHFFFAOYSA-N	-1	0	255.358	2.596	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000048478792	619342647	/nfs/dbraw/zinc/34/26/47/619342647.db2.gz	UPLDODBYXXWMKJ-UHFFFAOYSA-N	-1	0	289.356	2.812	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)C1CC1	ZINC000048518855	619348934	/nfs/dbraw/zinc/34/89/34/619348934.db2.gz	VHWKSPGNRPDKOC-CSKARUKUSA-N	-1	0	297.351	2.968	20	30		CFEDRM
CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)cc1	ZINC000048518783	619349048	/nfs/dbraw/zinc/34/90/48/619349048.db2.gz	AASFGWPIOGGZDP-GWCFXTLKSA-N	-1	0	281.377	2.940	20	30		CFEDRM
CC(C)CCC(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519126	619349587	/nfs/dbraw/zinc/34/95/87/619349587.db2.gz	GBKUDNCDRIQOKW-UHFFFAOYSA-N	-1	0	273.329	2.907	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000048519094	619349616	/nfs/dbraw/zinc/34/96/16/619349616.db2.gz	SIANKSNURCTSKB-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000048530538	619352636	/nfs/dbraw/zinc/35/26/36/619352636.db2.gz	GHFSNROOZHEMQW-CSKARUKUSA-N	-1	0	291.328	2.893	20	30		CFEDRM
C[C@]1(C#N)CCCN(Cc2cc(F)cc(F)c2[O-])C1	ZINC000894446612	619388030	/nfs/dbraw/zinc/38/80/30/619388030.db2.gz	WPEPTVMJBFMIQR-CQSZACIVSA-N	-1	0	266.291	2.796	20	30		CFEDRM
CCSCC(=NN[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000793070751	619506626	/nfs/dbraw/zinc/50/66/26/619506626.db2.gz	ABAIFONLYMGZNL-LBPRGKRZSA-N	-1	0	280.393	2.597	20	30		CFEDRM
CC[C@H](NN=Cc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000793073939	619507027	/nfs/dbraw/zinc/50/70/27/619507027.db2.gz	YBRQJTXFLWYJIN-VIFPVBQESA-N	-1	0	275.135	2.780	20	30		CFEDRM
CC[C@@H](NN=C1C[C@H](C)Sc2sccc21)C(=O)[O-]	ZINC000793077920	619508059	/nfs/dbraw/zinc/50/80/59/619508059.db2.gz	JQYXFPJFBNMOJU-IONNQARKSA-N	-1	0	284.406	2.789	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000046708601	619519649	/nfs/dbraw/zinc/51/96/49/619519649.db2.gz	BZPFJVZUMNTMBP-UHFFFAOYSA-N	-1	0	255.339	2.768	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC(C)C	ZINC000049135013	619535071	/nfs/dbraw/zinc/53/50/71/619535071.db2.gz	LPUDLEJIVGHFQN-GFCCVEGCSA-N	-1	0	299.392	2.701	20	30		CFEDRM
C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F	ZINC000049135727	619535897	/nfs/dbraw/zinc/53/58/97/619535897.db2.gz	TVBNIFLTOOTEEW-XPUUQOCRSA-N	-1	0	291.731	2.780	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000896505069	619752071	/nfs/dbraw/zinc/75/20/71/619752071.db2.gz	KULFTONUTYHKQP-VIFPVBQESA-N	-1	0	295.726	2.689	20	30		CFEDRM
C#CCN(CC#N)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000897163855	619942874	/nfs/dbraw/zinc/94/28/74/619942874.db2.gz	YBKGEDPAQCLDJV-UHFFFAOYSA-N	-1	0	269.131	2.658	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@@H](SCC)C(C)C	ZINC000067600330	620186825	/nfs/dbraw/zinc/18/68/25/620186825.db2.gz	GEZGZEAMRWZYNO-JTQLQIEISA-N	-1	0	281.443	2.851	20	30		CFEDRM
CCS[C@@H](C(=O)[N-]S(=O)(=O)CC(C)C)C(C)C	ZINC000067632032	620213991	/nfs/dbraw/zinc/21/39/91/620213991.db2.gz	ZMPQKFLVBJFVAU-SNVBAGLBSA-N	-1	0	281.443	2.706	20	30		CFEDRM
CC[C@]1(C(=O)[O-])CCCN(c2ccc(F)cc2C#N)C1	ZINC000111026317	620408277	/nfs/dbraw/zinc/40/82/77/620408277.db2.gz	KOZNGSAKXGAATG-HNNXBMFYSA-N	-1	0	276.311	2.779	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000899296686	620542013	/nfs/dbraw/zinc/54/20/13/620542013.db2.gz	AWEPNZFKRIXNRJ-NSHDSACASA-N	-1	0	255.358	2.596	20	30		CFEDRM
C#CCCc1cc(=O)n(-c2cccc3c2OC(F)(F)O3)[n-]1	ZINC000899355611	620549028	/nfs/dbraw/zinc/54/90/28/620549028.db2.gz	BOTKGALQDMOGMU-UHFFFAOYSA-N	-1	0	292.241	2.514	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(OC)cc2[O-])c(C)n1	ZINC000899362339	620553160	/nfs/dbraw/zinc/55/31/60/620553160.db2.gz	QMVWFURCUHEXMG-VMPITWQZSA-N	-1	0	286.331	2.822	20	30		CFEDRM
Cn1nc2c(c1/C=C/C(=O)c1ccccc1[O-])CCC2	ZINC000899362310	620553270	/nfs/dbraw/zinc/55/32/70/620553270.db2.gz	PRHNOPAXWADGSC-MDZDMXLPSA-N	-1	0	268.316	2.511	20	30		CFEDRM
CCn1nc(C)c(C(=O)/C=C/c2ccc(C)c(C(=O)[O-])c2)n1	ZINC000899390524	620561429	/nfs/dbraw/zinc/56/14/29/620561429.db2.gz	AVNCHZKGFDNZTQ-BQYQJAHWSA-N	-1	0	299.330	2.509	20	30		CFEDRM
CCOc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000042247636	620583763	/nfs/dbraw/zinc/58/37/63/620583763.db2.gz	GDOOCLLOZHLRBS-UHFFFAOYSA-N	-1	0	297.376	2.921	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)[C@H](CC(=O)[O-])CC(C)C	ZINC000899786791	620599552	/nfs/dbraw/zinc/59/95/52/620599552.db2.gz	YUWIXJOFBHOOBZ-LBPRGKRZSA-N	-1	0	269.385	2.842	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C	ZINC000899767433	620598481	/nfs/dbraw/zinc/59/84/81/620598481.db2.gz	RFWONFJRTAWGTR-LRDDRELGSA-N	-1	0	286.331	2.552	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899826632	620603706	/nfs/dbraw/zinc/60/37/06/620603706.db2.gz	DOMXAKDOXDYGBR-GFCCVEGCSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C1CCN(C(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)CC1	ZINC000899818393	620604212	/nfs/dbraw/zinc/60/42/12/620604212.db2.gz	DHFDAKNVTATDTR-OAHLLOKOSA-N	-1	0	287.359	2.732	20	30		CFEDRM
C=C1CCC(CNC(=O)[C@H](CC(=O)[O-])CC(C)C)CC1	ZINC000899834856	620604670	/nfs/dbraw/zinc/60/46/70/620604670.db2.gz	BIMSBRRHWCWIAL-AWEZNQCLSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899828882	620604867	/nfs/dbraw/zinc/60/48/67/620604867.db2.gz	ARKDVGMIQSNMNJ-NEPJUHHUSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC(C)(C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000899854929	620606790	/nfs/dbraw/zinc/60/67/90/620606790.db2.gz	QFEMWVSQGKXXGU-INIZCTEOSA-N	-1	0	293.338	2.639	20	30		CFEDRM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C1CCCC1	ZINC000042307243	620628915	/nfs/dbraw/zinc/62/89/15/620628915.db2.gz	QRGWNLSHPPPWLJ-UHFFFAOYSA-N	-1	0	292.360	2.535	20	30		CFEDRM
C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000901478799	620826542	/nfs/dbraw/zinc/82/65/42/620826542.db2.gz	YIMZCSMBUUOCJX-KBPBESRZSA-N	-1	0	289.331	2.613	20	30		CFEDRM
Cc1nn(C(C)C)cc1/C=C\C(=O)c1cncc(C(=O)[O-])c1	ZINC000901553289	620862646	/nfs/dbraw/zinc/86/26/46/620862646.db2.gz	XJPUFVLJYBPYFX-PLNGDYQASA-N	-1	0	299.330	2.762	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-]	ZINC000901579195	620868148	/nfs/dbraw/zinc/86/81/48/620868148.db2.gz	XVRQUTGMJYIBIW-LBPRGKRZSA-N	-1	0	267.369	2.835	20	30		CFEDRM
CCCCCCCCCNC(=O)c1c(C(=O)[O-])cnn1C	ZINC000901766994	620910878	/nfs/dbraw/zinc/91/08/78/620910878.db2.gz	XPLCGDPACSLOQL-UHFFFAOYSA-N	-1	0	295.383	2.599	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-]	ZINC000902098016	620978487	/nfs/dbraw/zinc/97/84/87/620978487.db2.gz	HMIASNMMCHHPBM-OAHLLOKOSA-N	-1	0	287.359	2.799	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)[C@@H](C)C(=O)[O-])c1ccccc1	ZINC000902698610	621149775	/nfs/dbraw/zinc/14/97/75/621149775.db2.gz	PARUOPXCHWVVKU-TZMCWYRMSA-N	-1	0	275.348	2.921	20	30		CFEDRM
COC/C(C)=C/Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O	ZINC000902719635	621155167	/nfs/dbraw/zinc/15/51/67/621155167.db2.gz	PLBHKBSXWJLMCC-XYOKQWHBSA-N	-1	0	291.395	2.935	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cccc(C)c1Br	ZINC000903895210	621465771	/nfs/dbraw/zinc/46/57/71/621465771.db2.gz	COKCLYFNFXPXKY-UHFFFAOYSA-N	-1	0	298.180	2.830	20	30		CFEDRM
CCCCCCN(O)C(=O)Cn1ccnc1C(C)C	ZINC000904207138	621543931	/nfs/dbraw/zinc/54/39/31/621543931.db2.gz	RODJVTQLHAZKGC-UHFFFAOYSA-N	-1	0	267.373	2.805	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccccc1C)C(=O)[O-]	ZINC000905015131	621681738	/nfs/dbraw/zinc/68/17/38/621681738.db2.gz	DXMYKGZGMFDSLJ-ZDUSSCGKSA-N	-1	0	276.336	2.926	20	30		CFEDRM
CC(=NOCC(F)F)c1ccc(C(=O)[O-])cc1C	ZINC000905459632	621777771	/nfs/dbraw/zinc/77/77/71/621777771.db2.gz	GZPWRFAUTRJRPT-UHFFFAOYSA-N	-1	0	257.236	2.699	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1cc(Cl)ncc1C(=O)[O-]	ZINC000905464727	621780103	/nfs/dbraw/zinc/78/01/03/621780103.db2.gz	SEZBIXLBKVRDRJ-NSHDSACASA-N	-1	0	295.770	2.935	20	30		CFEDRM
CC(=NN[C@H]1CCSC1)c1ccc(O)cc1Cl	ZINC000905470833	621781375	/nfs/dbraw/zinc/78/13/75/621781375.db2.gz	GCHPDJUDMOSFMC-VIFPVBQESA-N	-1	0	270.785	2.865	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCc1ccc(C)s1)C(=O)[O-]	ZINC000905512679	621784056	/nfs/dbraw/zinc/78/40/56/621784056.db2.gz	PGFBPZMDYHLHRB-GFCCVEGCSA-N	-1	0	296.392	2.665	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)NCCC1=CCCC1)C(=O)[O-]	ZINC000905537762	621786444	/nfs/dbraw/zinc/78/64/44/621786444.db2.gz	TVSSYHVARCBSHW-CYBMUJFWSA-N	-1	0	280.368	2.596	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1scc(C)c1C#N	ZINC000906071406	621925254	/nfs/dbraw/zinc/92/52/54/621925254.db2.gz	AKJOXNQBAGMEEC-UHFFFAOYSA-N	-1	0	270.379	2.636	20	30		CFEDRM
CCc1c(C)sc([N-]S(=O)(=O)c2ccoc2)c1C#N	ZINC000906074337	621928991	/nfs/dbraw/zinc/92/89/91/621928991.db2.gz	TXJLADAUOFQGPU-UHFFFAOYSA-N	-1	0	296.373	2.884	20	30		CFEDRM
Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC000832911923	625537994	/nfs/dbraw/zinc/53/79/94/625537994.db2.gz	RYSMYAVZZFVECI-CLFYSBASSA-N	-1	0	255.273	2.917	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	ZINC000907574310	622137591	/nfs/dbraw/zinc/13/75/91/622137591.db2.gz	PCWXGQJIXYNKQA-IUODEOHRSA-N	-1	0	287.359	2.627	20	30		CFEDRM
C=CC1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1	ZINC000907638650	622145437	/nfs/dbraw/zinc/14/54/37/622145437.db2.gz	BDEJFELPTNJHIN-CRAIPNDOSA-N	-1	0	299.370	2.670	20	30		CFEDRM
C=CC1(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	ZINC000907659317	622148625	/nfs/dbraw/zinc/14/86/25/622148625.db2.gz	ALBLMAZTNIOBIX-OLZOCXBDSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1	ZINC000907659071	622148740	/nfs/dbraw/zinc/14/87/40/622148740.db2.gz	OSKLZSMBPWSQKQ-WFASDCNBSA-N	-1	0	267.369	2.548	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)NCc1cc(C)c(C(=O)[O-])o1	ZINC000907741052	622155723	/nfs/dbraw/zinc/15/57/23/622155723.db2.gz	JQLDESFAASIFON-JTQLQIEISA-N	-1	0	265.309	2.505	20	30		CFEDRM
C=CC1(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CCCCC1	ZINC000907856347	622166881	/nfs/dbraw/zinc/16/68/81/622166881.db2.gz	UHZWTDLNMZFPDH-RQJABVFESA-N	-1	0	291.391	2.738	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N(C)c1cccc(CC(=O)[O-])c1	ZINC000908082336	622191839	/nfs/dbraw/zinc/19/18/39/622191839.db2.gz	BOVWGXLLQAAORN-UHFFFAOYSA-N	-1	0	275.348	2.879	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N1CCc2ccc(C(=O)[O-])cc21	ZINC000908071449	622193206	/nfs/dbraw/zinc/19/32/06/622193206.db2.gz	IRGBXJTUYPIXBW-UHFFFAOYSA-N	-1	0	286.331	2.604	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-]	ZINC000908288550	622213036	/nfs/dbraw/zinc/21/30/36/622213036.db2.gz	NEBXODSTJDCGTP-CJNGLKHVSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1[nH][nH]c2cc(=O)ccc1-2	ZINC000908334653	622216941	/nfs/dbraw/zinc/21/69/41/622216941.db2.gz	CLWHPDFUPKWQJG-UHFFFAOYSA-N	-1	0	259.309	2.809	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC000908600632	622248559	/nfs/dbraw/zinc/24/85/59/622248559.db2.gz	LDUMCHZBZPSWQJ-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C#CC[C@H](NC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-]	ZINC000908629919	622250715	/nfs/dbraw/zinc/25/07/15/622250715.db2.gz	XHOUQFXTSNUALH-HNNXBMFYSA-N	-1	0	298.342	2.634	20	30		CFEDRM
C#CC[C@@H](NC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-]	ZINC000908629920	622250854	/nfs/dbraw/zinc/25/08/54/622250854.db2.gz	XHOUQFXTSNUALH-OAHLLOKOSA-N	-1	0	298.342	2.634	20	30		CFEDRM
C=CCCC[C@H](NC(=O)Nc1ccc(CC)cn1)C(=O)[O-]	ZINC000908671114	622258627	/nfs/dbraw/zinc/25/86/27/622258627.db2.gz	LDOSKCBZOWPIQV-LBPRGKRZSA-N	-1	0	291.351	2.575	20	30		CFEDRM
C=CCCCNC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1	ZINC000909123170	622315315	/nfs/dbraw/zinc/31/53/15/622315315.db2.gz	OXJMKRIYXGINNJ-CYBMUJFWSA-N	-1	0	294.326	2.525	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-]	ZINC000909711815	622343876	/nfs/dbraw/zinc/34/38/76/622343876.db2.gz	GAZRGDVTPWDENW-NSHDSACASA-N	-1	0	287.425	2.834	20	30		CFEDRM
C=CCC[C@H](NC(=O)Cc1cccc(C)c1Cl)C(=O)[O-]	ZINC000909713775	622344489	/nfs/dbraw/zinc/34/44/89/622344489.db2.gz	RVFWNURPOWQYDM-LBPRGKRZSA-N	-1	0	295.766	2.727	20	30		CFEDRM
C=CCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])s1	ZINC000909846398	622360491	/nfs/dbraw/zinc/36/04/91/622360491.db2.gz	AJORDEFEPGFOPH-UHFFFAOYSA-N	-1	0	267.350	2.665	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1	ZINC000909846103	622360668	/nfs/dbraw/zinc/36/06/68/622360668.db2.gz	INMJZBTTZXJXBF-UHFFFAOYSA-N	-1	0	279.311	2.994	20	30		CFEDRM
C=C1CCC(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])CC1	ZINC000909864800	622361161	/nfs/dbraw/zinc/36/11/61/622361161.db2.gz	CFWCZLNRRUDWGZ-GXFFZTMASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@@H](C(=O)NC[C@H](CC)C(=O)[O-])c1ccccc1	ZINC000909868323	622361677	/nfs/dbraw/zinc/36/16/77/622361677.db2.gz	FPPYDSNQMVARCV-GXTWGEPZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C#CCC1(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CCCCC1	ZINC000909970836	622377948	/nfs/dbraw/zinc/37/79/48/622377948.db2.gz	XVQOGYTXCUFJLM-AWEZNQCLSA-N	-1	0	291.391	2.577	20	30		CFEDRM
C=CC[C@H]1N(C(=O)[C@H](CC)C(=O)[O-])CCCC1(C)C	ZINC000910024739	622387497	/nfs/dbraw/zinc/38/74/97/622387497.db2.gz	ZILAANKLZHNZJP-NWDGAFQWSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C#CC[C@@H](NC(=O)CC(C)(C)C1CCCCC1)C(=O)[O-]	ZINC000910050089	622396508	/nfs/dbraw/zinc/39/65/08/622396508.db2.gz	FEJYSNDODXPHRU-CYBMUJFWSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H](CC)CCCCCC)C(=O)[O-]	ZINC000910045769	622396740	/nfs/dbraw/zinc/39/67/40/622396740.db2.gz	GTGVCHKQFYYDLE-STQMWFEESA-N	-1	0	267.369	2.576	20	30		CFEDRM
C=C1CCC(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)CC1	ZINC000910157164	622407700	/nfs/dbraw/zinc/40/77/00/622407700.db2.gz	OUUCNZSCPDAVGF-VIFPVBQESA-N	-1	0	294.376	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)CC(C)(C)C1CC1)C(=O)[O-]	ZINC000910268191	622421289	/nfs/dbraw/zinc/42/12/89/622421289.db2.gz	WZBUBWISBXWMGM-JTQLQIEISA-N	-1	0	273.760	2.525	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1	ZINC000910232708	622414755	/nfs/dbraw/zinc/41/47/55/622414755.db2.gz	FPQYYMKUGWZMNU-CYBMUJFWSA-N	-1	0	281.396	2.986	20	30		CFEDRM
C#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1	ZINC000910234429	622414775	/nfs/dbraw/zinc/41/47/75/622414775.db2.gz	RKKTYBGQSIFEOA-MRXNPFEDSA-N	-1	0	299.370	2.679	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccccc1C)C(=O)[O-]	ZINC000910272133	622422696	/nfs/dbraw/zinc/42/26/96/622422696.db2.gz	SKGTYVGZECJNTI-DGCLKSJQSA-N	-1	0	295.766	2.811	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)C(=O)[O-]	ZINC000910290980	622429869	/nfs/dbraw/zinc/42/98/69/622429869.db2.gz	ATZKQEOQBBSFLN-GVXVVHGQSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCSC(C)(C)C)C(=O)[O-]	ZINC000910291400	622430077	/nfs/dbraw/zinc/43/00/77/622430077.db2.gz	HXVNKZISZZUIBG-LLVKDONJSA-N	-1	0	287.425	2.834	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1CC(C(C)(C)C)C1)C(=O)[O-]	ZINC000910291159	622430091	/nfs/dbraw/zinc/43/00/91/622430091.db2.gz	FJGBOYBAEPYNMR-MCIGGMRASA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)CCCc1sccc1C)C(=O)[O-]	ZINC000910291205	622430160	/nfs/dbraw/zinc/43/01/60/622430160.db2.gz	GPUUJJYOCNUXPW-LBPRGKRZSA-N	-1	0	295.404	2.915	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)[O-])c(C)n1	ZINC000910323690	622434361	/nfs/dbraw/zinc/43/43/61/622434361.db2.gz	OXVCDJYBZRXSSW-TXEJJXNPSA-N	-1	0	258.321	2.776	20	30		CFEDRM
C=C1CCC(C(=O)N(C)[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000910377160	622437191	/nfs/dbraw/zinc/43/71/91/622437191.db2.gz	KQDJDGMFBBPDDL-CYBMUJFWSA-N	-1	0	267.369	2.691	20	30		CFEDRM
CCCCC[C@H](Nc1ccc(C#N)c(C)n1)C(=O)[O-]	ZINC000910433775	622444130	/nfs/dbraw/zinc/44/41/30/622444130.db2.gz	IKIWMKZTWASUFW-LBPRGKRZSA-N	-1	0	261.325	2.707	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1csc(C(C)C)n1)C(=O)[O-]	ZINC000910914694	622486177	/nfs/dbraw/zinc/48/61/77/622486177.db2.gz	MXRVYFARAPCOSQ-SNVBAGLBSA-N	-1	0	296.392	2.806	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CCc1ccccc1F)C(=O)[O-]	ZINC000910914512	622486334	/nfs/dbraw/zinc/48/63/34/622486334.db2.gz	IDNXAXIKFUVWTD-AWEZNQCLSA-N	-1	0	293.338	2.684	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1C=CCCC1)C(=O)[O-]	ZINC000910916691	622486681	/nfs/dbraw/zinc/48/66/81/622486681.db2.gz	IHFWGPSSSARZSC-CHWSQXEVSA-N	-1	0	265.353	2.659	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccc(F)c(C)c1)C(=O)[O-]	ZINC000910914969	622486773	/nfs/dbraw/zinc/48/67/73/622486773.db2.gz	QUSAEHWRAUOQNJ-ZDUSSCGKSA-N	-1	0	279.311	2.673	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H]1CCO[C@@H](CC)C1)C(=O)[O-]	ZINC000910916642	622486796	/nfs/dbraw/zinc/48/67/96/622486796.db2.gz	HLZGFGVQXIURND-RDBSUJKOSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1coc(SC)c1)C(=O)[O-]	ZINC000910921147	622487101	/nfs/dbraw/zinc/48/71/01/622487101.db2.gz	BTJUXIMGZHRFDA-JTQLQIEISA-N	-1	0	283.349	2.541	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H]1CCC(C)(C)CO1)C(=O)[O-]	ZINC000910923599	622487696	/nfs/dbraw/zinc/48/76/96/622487696.db2.gz	UFBHWJLHQKPDCL-QWHCGFSZSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000910922949	622487709	/nfs/dbraw/zinc/48/77/09/622487709.db2.gz	PFENMCWALJGFCN-SECBINFHSA-N	-1	0	287.768	2.941	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C(=O)[O-]	ZINC000910922214	622487856	/nfs/dbraw/zinc/48/78/56/622487856.db2.gz	ICDACDNECWKLMF-DTWKUNHWSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccoc1CCC)C(=O)[O-]	ZINC000910925937	622488157	/nfs/dbraw/zinc/48/81/57/622488157.db2.gz	OQUFKAUMNBLBTG-GFCCVEGCSA-N	-1	0	279.336	2.771	20	30		CFEDRM
C=CCC(C)(C)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-]	ZINC000910929504	622488922	/nfs/dbraw/zinc/48/89/22/622488922.db2.gz	WVDZDDKWBFFQIV-ZDUSSCGKSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C#CCCCC(=O)Nc1ccc(C(=O)[O-])cc1CC	ZINC000910960386	622489710	/nfs/dbraw/zinc/48/97/10/622489710.db2.gz	BKNXTRVXYAWYFA-UHFFFAOYSA-N	-1	0	259.305	2.689	20	30		CFEDRM
C=CCC(C)(C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000911463875	622521861	/nfs/dbraw/zinc/52/18/61/622521861.db2.gz	MFIPBEWFSTZCMI-UHFFFAOYSA-N	-1	0	263.293	2.631	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1ccc(C(=O)[O-])cc1F	ZINC000819812616	622561556	/nfs/dbraw/zinc/56/15/56/622561556.db2.gz	FFYVGFYIAKWVAA-LLVKDONJSA-N	-1	0	268.313	2.817	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1sc(C2CCC2)nc1C	ZINC000911902826	622578714	/nfs/dbraw/zinc/57/87/14/622578714.db2.gz	HOUPWQXKLCCPAF-VIFPVBQESA-N	-1	0	280.393	2.884	20	30		CFEDRM
CCC(C#N)(CC)C(=O)[N-]Oc1ccc(F)cc1	ZINC000912258379	622667468	/nfs/dbraw/zinc/66/74/68/622667468.db2.gz	ODVNOBMMWPQVGQ-UHFFFAOYSA-N	-1	0	250.273	2.566	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000820699624	622739893	/nfs/dbraw/zinc/73/98/93/622739893.db2.gz	MXESKORJDFMTLW-UHFFFAOYSA-N	-1	0	295.404	2.543	20	30		CFEDRM
Cc1cc(F)ccc1C([O-])=C(C#N)C(=O)NC1CCCC1	ZINC000156368957	622937315	/nfs/dbraw/zinc/93/73/15/622937315.db2.gz	GJOJFINWXTZNFQ-CQSZACIVSA-N	-1	0	288.322	2.515	20	30		CFEDRM
N#Cc1ccc2ncc(/C=C/C(=O)c3ccccc3[O-])n2c1	ZINC000156596191	622948356	/nfs/dbraw/zinc/94/83/56/622948356.db2.gz	NSTDPPPMCNRWIB-VOTSOKGWSA-N	-1	0	289.294	2.808	20	30		CFEDRM
N#Cc1ccc(/C=C/C(=O)c2ccc(O)cc2[O-])s1	ZINC000156628713	622952398	/nfs/dbraw/zinc/95/23/98/622952398.db2.gz	IAXVKOPUHXOSIH-GQCTYLIASA-N	-1	0	271.297	2.927	20	30		CFEDRM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c1	ZINC000045097917	622964710	/nfs/dbraw/zinc/96/47/10/622964710.db2.gz	SBNHNLJDQZIIIS-UHFFFAOYSA-N	-1	0	297.376	2.971	20	30		CFEDRM
O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cncc(F)c1	ZINC000157314364	623028355	/nfs/dbraw/zinc/02/83/55/623028355.db2.gz	VHYCCTNKBFKYNW-DAFODLJHSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1)c1cccc(F)c1	ZINC000046708572	623093834	/nfs/dbraw/zinc/09/38/34/623093834.db2.gz	FQYHVTVRDCIYFL-UHFFFAOYSA-N	-1	0	279.292	2.519	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000046927869	623104932	/nfs/dbraw/zinc/10/49/32/623104932.db2.gz	ILLVYTXYNGFFEA-UHFFFAOYSA-N	-1	0	255.339	2.830	20	30		CFEDRM
Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C)c1	ZINC000046929252	623105900	/nfs/dbraw/zinc/10/59/00/623105900.db2.gz	KECJOIFJWMEIFJ-MNOVXSKESA-N	-1	0	267.350	2.605	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(\C)c1ccc(F)cc1)C(=O)[O-]	ZINC000823368957	623299656	/nfs/dbraw/zinc/29/96/56/623299656.db2.gz	GTIGHXAQHQFLPA-PLSXKVAHSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)c1cccc(F)c1)C(=O)[O-]	ZINC000823368906	623299728	/nfs/dbraw/zinc/29/97/28/623299728.db2.gz	AVONERQVIONPMY-RBJHHQRMSA-N	-1	0	291.322	2.765	20	30		CFEDRM
CCCCCCCCC(=O)N(CC(=O)[O-])C1CCOCC1	ZINC000823846807	623403488	/nfs/dbraw/zinc/40/34/88/623403488.db2.gz	IVSXYVZQIZDZQG-UHFFFAOYSA-N	-1	0	299.411	2.829	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](CC)Nc1cccnc1Cl	ZINC000824232260	623473415	/nfs/dbraw/zinc/47/34/15/623473415.db2.gz	HMJBOUZKENNXLC-SNVBAGLBSA-N	-1	0	283.759	2.549	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1	ZINC000915106684	623982583	/nfs/dbraw/zinc/98/25/83/623982583.db2.gz	TVYGTRNIEADDAQ-RMKNXTFCSA-N	-1	0	282.295	2.915	20	30		CFEDRM
C#CCOc1ccccc1NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000185171790	625697554	/nfs/dbraw/zinc/69/75/54/625697554.db2.gz	IWJYPQXEEIFKGX-UHFFFAOYSA-N	-1	0	298.298	2.925	20	30		CFEDRM
COc1cccc(NN=C2Oc3cc([O-])cc(C)c3C2=O)c1	ZINC000915956322	624192044	/nfs/dbraw/zinc/19/20/44/624192044.db2.gz	VAKATWWJDSAKIA-UHFFFAOYSA-N	-1	0	298.298	2.710	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@@H]2CCC[C@H](O)C2)c1[O-]	ZINC000915983223	624202665	/nfs/dbraw/zinc/20/26/65/624202665.db2.gz	UHVRVTSDSPGTIU-YIVCQGGYSA-N	-1	0	298.726	2.676	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNCc2cccc(F)c2)ccc1[O-]	ZINC000915965054	624203397	/nfs/dbraw/zinc/20/33/97/624203397.db2.gz	CAXBDEPMLQKJIC-UHFFFAOYSA-N	-1	0	289.266	2.563	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2cccnc2)cc1	ZINC000915991210	624204909	/nfs/dbraw/zinc/20/49/09/624204909.db2.gz	ZWNQSTDKSRGLEC-VMPITWQZSA-N	-1	0	267.284	2.605	20	30		CFEDRM
Cc1nc(C=NNc2cccc(C(=O)[O-])c2)cs1	ZINC000916255265	624231203	/nfs/dbraw/zinc/23/12/03/624231203.db2.gz	NNNDTZSHRCTFFR-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
CCCc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1	ZINC000916282715	624235960	/nfs/dbraw/zinc/23/59/60/624235960.db2.gz	NRQSTTHWSCNZNP-UHFFFAOYSA-N	-1	0	285.351	2.674	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNc1ccccc1[N+](=O)[O-]	ZINC000916581807	624258892	/nfs/dbraw/zinc/25/88/92/624258892.db2.gz	UKTCUCAIIDIGAM-UHFFFAOYSA-N	-1	0	285.259	2.739	20	30		CFEDRM
C=CCc1ccccc1OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000916859027	624288528	/nfs/dbraw/zinc/28/85/28/624288528.db2.gz	CQEDGXZPFRDIBW-UHFFFAOYSA-N	-1	0	272.260	2.871	20	30		CFEDRM
Cn1cccc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000916878842	624289992	/nfs/dbraw/zinc/28/99/92/624289992.db2.gz	XBTYKBUKZRQZEK-AWEZNQCLSA-N	-1	0	292.338	2.648	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)[nH]c1C	ZINC000916875031	624290341	/nfs/dbraw/zinc/29/03/41/624290341.db2.gz	PPAJDPOQUIENJK-AWEZNQCLSA-N	-1	0	289.379	2.651	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1ccc(CCCC)cc1	ZINC000916917069	624291866	/nfs/dbraw/zinc/29/18/66/624291866.db2.gz	HAOZFWHHKHBSDF-HNNXBMFYSA-N	-1	0	284.359	2.654	20	30		CFEDRM
Cc1[n-]n(Cc2ccccc2C)c(=O)c1CCC#N	ZINC000917345937	624333829	/nfs/dbraw/zinc/33/38/29/624333829.db2.gz	RFIQXSUYYFAZJN-CQSZACIVSA-N	-1	0	255.321	2.633	20	30		CFEDRM
CSc1ccc(C(C)=NNc2[n-]cnc3ncnc2-3)cc1	ZINC000917554781	624359624	/nfs/dbraw/zinc/35/96/24/624359624.db2.gz	KSEBEVNLLQPLIU-UHFFFAOYSA-N	-1	0	298.375	2.911	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cc2sccc2s1	ZINC000918487640	624437569	/nfs/dbraw/zinc/43/75/69/624437569.db2.gz	WXTXRDGJTZWBSK-MRVPVSSYSA-N	-1	0	290.369	2.564	20	30		CFEDRM
O=C([O-])c1ccc(C=NNc2cccc(F)c2)cc1	ZINC000920384311	624717012	/nfs/dbraw/zinc/71/70/12/624717012.db2.gz	RDUYALUYYQEFJZ-UHFFFAOYSA-N	-1	0	258.252	2.970	20	30		CFEDRM
Cc1nc(C#N)c(N=NCc2ccc(O)c(Cl)c2)o1	ZINC000921257948	624829624	/nfs/dbraw/zinc/82/96/24/624829624.db2.gz	BNCJSPQROQZRBK-UHFFFAOYSA-N	-1	0	276.683	2.660	20	30		CFEDRM
CC(F)(F)C(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000831095954	624959870	/nfs/dbraw/zinc/95/98/70/624959870.db2.gz	PJORXJQMQKCAOZ-VIFPVBQESA-N	-1	0	292.207	2.933	20	30		CFEDRM
CCS[C@H](C(=O)Nc1cc(C#N)ccc1[O-])C(C)C	ZINC000179742842	624975577	/nfs/dbraw/zinc/97/55/77/624975577.db2.gz	HLLTZKDCJCWCSX-ZDUSSCGKSA-N	-1	0	278.377	2.980	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCOc2ccccc2)c1	ZINC000179739646	624975687	/nfs/dbraw/zinc/97/56/87/624975687.db2.gz	VMEDZIVSXYHIKQ-UHFFFAOYSA-N	-1	0	282.299	2.671	20	30		CFEDRM
CN(C)[C@H](C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000179740470	624976062	/nfs/dbraw/zinc/97/60/62/624976062.db2.gz	XVFXABGVKOJDQJ-INIZCTEOSA-N	-1	0	295.342	2.505	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccc(C)cc1[O-]	ZINC000179742567	624976092	/nfs/dbraw/zinc/97/60/92/624976092.db2.gz	HMMSGHZCHIFCHC-SOFGYWHQSA-N	-1	0	270.332	2.893	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1	ZINC000831272158	624981057	/nfs/dbraw/zinc/98/10/57/624981057.db2.gz	RQFXCYWKFLCZOD-UTUOFQBUSA-N	-1	0	256.305	2.639	20	30		CFEDRM
CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1F	ZINC000073087381	625771583	/nfs/dbraw/zinc/77/15/83/625771583.db2.gz	YHTHXHKUDVTDLQ-VIFPVBQESA-N	-1	0	273.329	2.763	20	30		CFEDRM
CCCCCCCC[C@@H](C)C(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC000851601240	634452185	/nfs/dbraw/zinc/45/21/85/634452185.db2.gz	JSNDHXBXCRLVKF-CJNGLKHVSA-N	-1	0	299.411	2.733	20	30		CFEDRM
CCCCCCCC(=O)N[C@](C)(CCF)C(=O)[O-]	ZINC000851621346	634459570	/nfs/dbraw/zinc/45/95/70/634459570.db2.gz	QKZICRABYCPLQJ-CYBMUJFWSA-N	-1	0	261.337	2.666	20	30		CFEDRM
C[C@H]1C(N=Nc2cccc(F)n2)CC[C@H]1CC(=O)[O-]	ZINC000814927759	625887526	/nfs/dbraw/zinc/88/75/26/625887526.db2.gz	FEZBJCZGEQWNMX-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CC1(C#N)CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1	ZINC000834966760	625936329	/nfs/dbraw/zinc/93/63/29/625936329.db2.gz	NMQDXWQCIMSEKY-UHFFFAOYSA-N	-1	0	272.308	2.652	20	30		CFEDRM
C#CCCCCCCN=Nc1ccc(C(=O)[O-])cn1	ZINC000834967292	625936540	/nfs/dbraw/zinc/93/65/40/625936540.db2.gz	WSMNCKGBGVOIMU-UHFFFAOYSA-N	-1	0	259.309	2.761	20	30		CFEDRM
CC[C@](C)(CN=Nc1ccc(C(=O)[O-])cc1OC)OC	ZINC000834967021	625936948	/nfs/dbraw/zinc/93/69/48/625936948.db2.gz	RPRMVJNQTWLVGM-CQSZACIVSA-N	-1	0	280.324	2.606	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(Cl)sc1Cl)C(=O)[O-]	ZINC000834981268	625944751	/nfs/dbraw/zinc/94/47/51/625944751.db2.gz	LHVJDOLGVXWMQJ-ZCFIWIBFSA-N	-1	0	281.164	2.842	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1C=NN[C@@H](C)C(F)(F)F	ZINC000834998287	625948159	/nfs/dbraw/zinc/94/81/59/625948159.db2.gz	DZIIPTMZSSYKEH-VIFPVBQESA-N	-1	0	288.269	2.876	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])nc1)c1coc(C(C)C)n1	ZINC000835010099	625956999	/nfs/dbraw/zinc/95/69/99/625956999.db2.gz	OGKWRGSPZWEXAK-UHFFFAOYSA-N	-1	0	288.307	2.727	20	30		CFEDRM
CCC(N=Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCOC1	ZINC000835010234	625957232	/nfs/dbraw/zinc/95/72/32/625957232.db2.gz	UJMAHUIDMYLRQT-SECBINFHSA-N	-1	0	280.299	2.738	20	30		CFEDRM
COC1CCC(N=Nc2ccc(C(=O)[O-])cc2F)CC1	ZINC000835012223	625958549	/nfs/dbraw/zinc/95/85/49/625958549.db2.gz	NVVLBLHGOYASNF-UHFFFAOYSA-N	-1	0	280.299	2.881	20	30		CFEDRM
C[C@@H](CCC#N)CN=Nc1ccc(C(=O)[O-])cc1F	ZINC000835011951	625958691	/nfs/dbraw/zinc/95/86/91/625958691.db2.gz	LBYWWDMJLUMKNS-VIFPVBQESA-N	-1	0	263.272	2.861	20	30		CFEDRM
CC(C)CNN=C1CC[C@@H](C(=O)[O-])C(C)(C)[C@H]1C	ZINC000814892639	625965525	/nfs/dbraw/zinc/96/55/25/625965525.db2.gz	ZBFYONGTRBSCBQ-QWRGUYRKSA-N	-1	0	254.374	2.745	20	30		CFEDRM
CC(=NN[C@H]1CCOC1(C)C)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000835022072	625967449	/nfs/dbraw/zinc/96/74/49/625967449.db2.gz	VQJVNNQYGWCCFB-AGIUHOORSA-N	-1	0	296.411	2.656	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cccc(Cl)c1[O-])C1CCCC1	ZINC000921545184	625981700	/nfs/dbraw/zinc/98/17/00/625981700.db2.gz	DFTPLBHFCANMND-GFCCVEGCSA-N	-1	0	278.739	2.858	20	30		CFEDRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)C1CCCC1	ZINC000086055984	626234479	/nfs/dbraw/zinc/23/44/79/626234479.db2.gz	RUQDWPARAWPYNV-UHFFFAOYSA-N	-1	0	281.377	2.766	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(F)c1F	ZINC000073837846	626396232	/nfs/dbraw/zinc/39/62/32/626396232.db2.gz	RUQLMSDRKUDRIJ-UHFFFAOYSA-N	-1	0	291.319	2.788	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(F)c1	ZINC000073837631	626396448	/nfs/dbraw/zinc/39/64/48/626396448.db2.gz	KDSWTTOEENKOFX-UHFFFAOYSA-N	-1	0	287.356	2.957	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000923056608	626447681	/nfs/dbraw/zinc/44/76/81/626447681.db2.gz	BDHZJBZYQKKAKG-UHFFFAOYSA-N	-1	0	278.283	2.792	20	30		CFEDRM
CC[C@](C)(C#N)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1	ZINC000923057843	626448072	/nfs/dbraw/zinc/44/80/72/626448072.db2.gz	IVBQCYIFZJDHOM-RZIFZGNASA-N	-1	0	272.304	2.663	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096036	626450817	/nfs/dbraw/zinc/45/08/17/626450817.db2.gz	ZFGNMABMNCKTED-KOLCDFICSA-N	-1	0	295.360	2.674	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(C(=O)[O-])sc1C	ZINC000923096906	626450978	/nfs/dbraw/zinc/45/09/78/626450978.db2.gz	QCMVEIIEMGGNTD-UHFFFAOYSA-N	-1	0	253.323	2.905	20	30		CFEDRM
C=CCC(CC=C)C(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923122521	626452058	/nfs/dbraw/zinc/45/20/58/626452058.db2.gz	OKYCGWPLFVFEHL-UHFFFAOYSA-N	-1	0	287.359	2.812	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1	ZINC000923168864	626454476	/nfs/dbraw/zinc/45/44/76/626454476.db2.gz	VAGGTAZJSDDGQB-CJNGLKHVSA-N	-1	0	294.395	2.714	20	30		CFEDRM
CCC(C#N)(CC)C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-]	ZINC000923191796	626455893	/nfs/dbraw/zinc/45/58/93/626455893.db2.gz	CIIVAUWIURZIQA-CQSZACIVSA-N	-1	0	282.384	2.570	20	30		CFEDRM
CC[C@](C)([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000839290822	626532922	/nfs/dbraw/zinc/53/29/22/626532922.db2.gz	BIJXSEQBNDMVFK-NJGYIYPDSA-N	-1	0	269.160	2.734	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@]23C[C@H]2CCCC3)c1	ZINC000867012377	626536863	/nfs/dbraw/zinc/53/68/63/626536863.db2.gz	GBBLRPGGUNYOME-IAQYHMDHSA-N	-1	0	256.305	2.783	20	30		CFEDRM
CC(C)(C(=O)Nc1cc(C#N)ccc1[O-])[C@H]1CCCCO1	ZINC000867013739	626539987	/nfs/dbraw/zinc/53/99/87/626539987.db2.gz	VTIXDTBPBYHBKE-CQSZACIVSA-N	-1	0	288.347	2.798	20	30		CFEDRM
CC[C@@H](C)NN=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000790183961	626541889	/nfs/dbraw/zinc/54/18/89/626541889.db2.gz	XKWFTQHCMSTCBI-MRVPVSSYSA-N	-1	0	264.325	2.715	20	30		CFEDRM
COC(=O)c1cc(/C=C\C(=O)c2cc(F)ccc2[O-])c[nH]1	ZINC000757468948	626552874	/nfs/dbraw/zinc/55/28/74/626552874.db2.gz	WFGPQHJFGHBJSU-RQOWECAXSA-N	-1	0	289.262	2.542	20	30		CFEDRM
Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])nn1	ZINC000757471313	626553012	/nfs/dbraw/zinc/55/30/12/626553012.db2.gz	AVBWCVDATCAMQE-CLFYSBASSA-N	-1	0	279.299	2.570	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(F)cc1[O-]	ZINC000757476969	626553294	/nfs/dbraw/zinc/55/32/94/626553294.db2.gz	VOHFJRHAGBREFX-WAYWQWQTSA-N	-1	0	260.268	2.767	20	30		CFEDRM
CC(C)(C)c1noc(C=NNc2ccc(C(=O)[O-])cc2)n1	ZINC000758071464	626575547	/nfs/dbraw/zinc/57/55/47/626575547.db2.gz	MFYWAWMWVOLPNE-UHFFFAOYSA-N	-1	0	288.307	2.511	20	30		CFEDRM
Cc1nnc(N=NCCc2ccc(C(C)C)cc2)[n-]c1=O	ZINC000760250658	626724406	/nfs/dbraw/zinc/72/44/06/626724406.db2.gz	SEUVQQYKAFJWGV-UHFFFAOYSA-N	-1	0	285.351	2.649	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2Cc3ccccc3C2)c1	ZINC000762192677	626902759	/nfs/dbraw/zinc/90/27/59/626902759.db2.gz	UPRZIYWCAFSBTC-UHFFFAOYSA-N	-1	0	278.311	2.617	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCC(F)(F)C2)c1	ZINC000763095431	626963310	/nfs/dbraw/zinc/96/33/10/626963310.db2.gz	DOBYDAPMXMLNNR-NEFPKRPYSA-N	-1	0	270.235	2.907	20	30		CFEDRM
CCOc1cccc(C=NNc2ccccc2C(=O)[O-])n1	ZINC000763154520	626967208	/nfs/dbraw/zinc/96/72/08/626967208.db2.gz	GKNMGRIKCZYYBI-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
O=C([O-])c1ccc(N=NC=CCc2ccccc2)nc1	ZINC000763368873	626982978	/nfs/dbraw/zinc/98/29/78/626982978.db2.gz	BMXJRUXLMBMYBT-HKWHNATCSA-N	-1	0	267.288	2.891	20	30		CFEDRM
CC(Cc1cccc(F)c1)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371038	626983676	/nfs/dbraw/zinc/98/36/76/626983676.db2.gz	YHTFZDQDUNVPTC-UHFFFAOYSA-N	-1	0	287.294	2.949	20	30		CFEDRM
COc1ccsc1C=NNc1ccccc1C(=O)[O-]	ZINC000764668210	627082223	/nfs/dbraw/zinc/08/22/23/627082223.db2.gz	YDPBMRBHRKCMCM-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
C#CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1	ZINC000764677050	627082895	/nfs/dbraw/zinc/08/28/95/627082895.db2.gz	RKKBRCUALDBMBA-UHFFFAOYSA-N	-1	0	253.704	2.782	20	30		CFEDRM
Cc1cccc(CNN=Cc2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000764714436	627086937	/nfs/dbraw/zinc/08/69/37/627086937.db2.gz	HQWZRIIZVLIVRJ-UHFFFAOYSA-N	-1	0	285.303	2.733	20	30		CFEDRM
O=C([O-])c1ccccc1C=NNCCc1ccccc1F	ZINC000764721745	627088070	/nfs/dbraw/zinc/08/80/70/627088070.db2.gz	ILAXCYLZNZGHJI-UHFFFAOYSA-N	-1	0	286.306	2.690	20	30		CFEDRM
Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)cn1	ZINC000764884074	627104513	/nfs/dbraw/zinc/10/45/13/627104513.db2.gz	AXSBIUHVKBJNJS-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
Cn1ccc(C/N=C/c2cc(Br)ccc2O)n1	ZINC000765498784	627143191	/nfs/dbraw/zinc/14/31/91/627143191.db2.gz	DTWDHLAQEMOEMG-VGOFMYFVSA-N	-1	0	294.152	2.507	20	30		CFEDRM
C#C[C@@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000805308755	627151133	/nfs/dbraw/zinc/15/11/33/627151133.db2.gz	JMIYZKCRGWYZGG-SSDOTTSWSA-N	-1	0	287.146	2.520	20	30		CFEDRM
O=C([O-])c1ccc(N=NCC2Cc3ccccc3C2)nc1	ZINC000766455239	627204302	/nfs/dbraw/zinc/20/43/02/627204302.db2.gz	RAQCMPPZZMDUNC-UHFFFAOYSA-N	-1	0	281.315	2.593	20	30		CFEDRM
Cc1cccc2c1[C@@H](C)CC2=NNc1[n-]cnc2ncnc1-2	ZINC000766696953	627215372	/nfs/dbraw/zinc/21/53/72/627215372.db2.gz	YSMKPKIYQOQLGK-JTQLQIEISA-N	-1	0	292.346	2.985	20	30		CFEDRM
C[C@@H]1CC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1	ZINC000767876981	627290581	/nfs/dbraw/zinc/29/05/81/627290581.db2.gz	BEWWJIKTTCFIMD-VVWQTCAUSA-N	-1	0	278.308	2.675	20	30		CFEDRM
Cc1cc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(C)o1	ZINC000767900817	627292932	/nfs/dbraw/zinc/29/29/32/627292932.db2.gz	YLIVFRZBCARVHS-UHFFFAOYSA-N	-1	0	299.355	2.777	20	30		CFEDRM
CCCCCCCCCCC(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000769521330	627451787	/nfs/dbraw/zinc/45/17/87/627451787.db2.gz	DUSSXTOEYMYAIE-AWEZNQCLSA-N	-1	0	299.411	2.829	20	30		CFEDRM
O=C1CCCN1N=Cc1cc(Cl)c([O-])cc1Cl	ZINC000769590591	627459027	/nfs/dbraw/zinc/45/90/27/627459027.db2.gz	WLABJJGAJFEFAV-UHFFFAOYSA-N	-1	0	273.119	2.655	20	30		CFEDRM
N#Cc1ccc(CNN=Cc2cc(F)c([O-])c(F)c2)cc1	ZINC000769816941	627477646	/nfs/dbraw/zinc/47/76/46/627477646.db2.gz	YETDJDRVKBGBKX-UHFFFAOYSA-N	-1	0	287.269	2.666	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000772807643	627747288	/nfs/dbraw/zinc/74/72/88/627747288.db2.gz	RNTMDMXBEMNVPF-GORDUTHDSA-N	-1	0	290.300	2.961	20	30		CFEDRM
N#Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(F)c1	ZINC000772826368	627749392	/nfs/dbraw/zinc/74/93/92/627749392.db2.gz	DHPWAZSKEZHRPT-UHFFFAOYSA-N	-1	0	283.262	2.842	20	30		CFEDRM
N#Cc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(F)c1	ZINC000772829894	627749848	/nfs/dbraw/zinc/74/98/48/627749848.db2.gz	DXYTUCFTWKYHIE-UHFFFAOYSA-N	-1	0	283.262	2.842	20	30		CFEDRM
CC(N=Nc1cc(Cl)ccn1)c1ccc(C(=O)[O-])o1	ZINC000773079707	627779823	/nfs/dbraw/zinc/77/98/23/627779823.db2.gz	OVKMRTYJHOTRGC-UHFFFAOYSA-N	-1	0	279.683	2.862	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cc(O)ccc2O)c1	ZINC000774134423	627891919	/nfs/dbraw/zinc/89/19/19/627891919.db2.gz	CALZHBJTSDVYCR-XQRVVYSFSA-N	-1	0	284.267	2.692	20	30		CFEDRM
C=CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F	ZINC000776659472	628167112	/nfs/dbraw/zinc/16/71/12/628167112.db2.gz	QITUORBCJPGVFX-LBPRGKRZSA-N	-1	0	283.274	2.563	20	30		CFEDRM
O=C([O-])c1cc(C=NNCCCc2ccccc2)ccc1O	ZINC000777440778	628225692	/nfs/dbraw/zinc/22/56/92/628225692.db2.gz	LVZRXCSWODBFPV-UHFFFAOYSA-N	-1	0	298.342	2.647	20	30		CFEDRM
Cc1ccc(N(CCC#N)C(=O)c2ncc(C)cc2[O-])cc1	ZINC000778610190	628319784	/nfs/dbraw/zinc/31/97/84/628319784.db2.gz	ZQPHCFYOEVMCEO-UHFFFAOYSA-N	-1	0	295.342	2.965	20	30		CFEDRM
CC(=NN[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1[O-]	ZINC000788445725	628385204	/nfs/dbraw/zinc/38/52/04/628385204.db2.gz	HXKYYXTYQBHESE-QMMMGPOBSA-N	-1	0	289.162	2.802	20	30		CFEDRM
CC[C@@H]1C[C@@H](CN=Nc2ccccc2C(=O)[O-])CCO1	ZINC000779768159	628401237	/nfs/dbraw/zinc/40/12/37/628401237.db2.gz	SIUSRZVWDBTRLM-NWDGAFQWSA-N	-1	0	276.336	2.988	20	30		CFEDRM
C#CCCCCCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000779898623	628417064	/nfs/dbraw/zinc/41/70/64/628417064.db2.gz	DSXIJDXPTLDXCU-UHFFFAOYSA-N	-1	0	299.330	2.552	20	30		CFEDRM
COCC(N=Nc1cccc(C(=O)[O-])c1)C1CCCC1	ZINC000780187563	628437934	/nfs/dbraw/zinc/43/79/34/628437934.db2.gz	WRJBVQXNTKFYTQ-UHFFFAOYSA-N	-1	0	276.336	2.989	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(SC)cc1	ZINC000781633581	628568454	/nfs/dbraw/zinc/56/84/54/628568454.db2.gz	IMDOWHVRTDOCNF-UHFFFAOYSA-N	-1	0	299.417	2.570	20	30		CFEDRM
O=C([O-])c1csc(/C=C\C(=O)c2cncc(F)c2)c1	ZINC000782200394	628613861	/nfs/dbraw/zinc/61/38/61/628613861.db2.gz	LTBOYVPXUYIJGH-UPHRSURJSA-N	-1	0	277.276	2.877	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc([N+](=O)[O-])s2)c1	ZINC000782219807	628616317	/nfs/dbraw/zinc/61/63/17/628616317.db2.gz	RYUXOPKLFJHLHH-UHFFFAOYSA-N	-1	0	291.288	2.801	20	30		CFEDRM
CC(C)[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)C(F)F	ZINC000782946411	628665397	/nfs/dbraw/zinc/66/53/97/628665397.db2.gz	QUDGQYCRWKKISS-YFKPBYRVSA-N	-1	0	283.187	2.980	20	30		CFEDRM
CC1(C)CCC(=NNc2cnnc([O-])c2Cl)C1	ZINC000783820207	628748144	/nfs/dbraw/zinc/74/81/44/628748144.db2.gz	AWJKUNKZLGLIJM-UHFFFAOYSA-N	-1	0	254.721	2.814	20	30		CFEDRM
Cc1cc(NN=Cc2ccc(C(=O)[O-])cc2Cl)ncn1	ZINC000783841867	628748907	/nfs/dbraw/zinc/74/89/07/628748907.db2.gz	GVLWATZFSJGYLQ-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCC[C@H]2CCOC2)cc1	ZINC000786038335	628932163	/nfs/dbraw/zinc/93/21/63/628932163.db2.gz	UAPJBESFFUXPSD-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
Cc1coc(C)c1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000786465613	628959114	/nfs/dbraw/zinc/95/91/14/628959114.db2.gz	KEOOEYHLZULUHR-UHFFFAOYSA-N	-1	0	256.261	2.726	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1	ZINC000786497351	628961634	/nfs/dbraw/zinc/96/16/34/628961634.db2.gz	QKRCRTATGKLWQJ-UHFFFAOYSA-N	-1	0	299.367	2.604	20	30		CFEDRM
Cc1cccc(CNC(=O)C(C#N)=C([O-])c2ccsc2)c1	ZINC000786541311	628967271	/nfs/dbraw/zinc/96/72/71/628967271.db2.gz	MBFGNRIRYYRHNR-CQSZACIVSA-N	-1	0	298.367	2.695	20	30		CFEDRM
O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cncs1	ZINC000787170789	628997455	/nfs/dbraw/zinc/99/74/55/628997455.db2.gz	CFOSMWCIYBURES-RJRFIUFISA-N	-1	0	276.273	2.653	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)F)c1c(Cl)cccc1Cl	ZINC000787331863	629007571	/nfs/dbraw/zinc/00/75/71/629007571.db2.gz	HNORDXLIAXSQFW-ZETCQYMHSA-N	-1	0	279.073	2.939	20	30		CFEDRM
N#C[C@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1	ZINC000787339012	629008169	/nfs/dbraw/zinc/00/81/69/629008169.db2.gz	NJKSFTCFOFCZRN-QMMMGPOBSA-N	-1	0	278.180	2.651	20	30		CFEDRM
O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)F	ZINC000787517983	629016591	/nfs/dbraw/zinc/01/65/91/629016591.db2.gz	PBXRBIPBQOACLV-SSDOTTSWSA-N	-1	0	289.150	2.950	20	30		CFEDRM
C#CCC1(C(=O)[N-]O[C@@H]2CCCCO2)CCCCC1	ZINC000788504572	629076001	/nfs/dbraw/zinc/07/60/01/629076001.db2.gz	CCOMFGONLUBYSB-CYBMUJFWSA-N	-1	0	265.353	2.535	20	30		CFEDRM
Cc1cccnc1NN=Cc1cc(C(=O)[O-])cs1	ZINC000790185638	629217614	/nfs/dbraw/zinc/21/76/14/629217614.db2.gz	KCKFLUNOSIPTCT-UHFFFAOYSA-N	-1	0	261.306	2.596	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC)CCC1	ZINC000791804383	629359833	/nfs/dbraw/zinc/35/98/33/629359833.db2.gz	QXBHVNIFBPCTJJ-LBPRGKRZSA-N	-1	0	287.425	2.615	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2c1CCCC2	ZINC000835057911	629362520	/nfs/dbraw/zinc/36/25/20/629362520.db2.gz	GRYBGZUXKXKENP-MRXNPFEDSA-N	-1	0	296.370	2.510	20	30		CFEDRM
CC[C@@H](NN=C1CCCc2cc(SC)ccc21)C(=O)[O-]	ZINC000793071316	629482980	/nfs/dbraw/zinc/48/29/80/629482980.db2.gz	HWCOIPJKMIHLKH-CYBMUJFWSA-N	-1	0	292.404	2.902	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(C)c(Br)c1)C(=O)[O-]	ZINC000793072628	629483029	/nfs/dbraw/zinc/48/30/29/629483029.db2.gz	UCTQSSKRYJLQJZ-LLVKDONJSA-N	-1	0	299.168	2.544	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(-c2ccccn2)c1)C(=O)[O-]	ZINC000793073866	629483806	/nfs/dbraw/zinc/48/38/06/629483806.db2.gz	XICGBCXUTMTPGW-CQSZACIVSA-N	-1	0	283.331	2.535	20	30		CFEDRM
CC[C@H](NN=C1CCOc2c1cccc2C(C)C)C(=O)[O-]	ZINC000793077187	629484125	/nfs/dbraw/zinc/48/41/25/629484125.db2.gz	BHHDPTNJBUBZNA-ZDUSSCGKSA-N	-1	0	290.363	2.749	20	30		CFEDRM
CCC(=NN[C@H](CC)C(=O)[O-])c1ccc(Cl)cc1	ZINC000793079902	629484182	/nfs/dbraw/zinc/48/41/82/629484182.db2.gz	UVLBCZFFCYSVSW-GFCCVEGCSA-N	-1	0	268.744	2.907	20	30		CFEDRM
CC1(CNN=Cc2ccccc2OCC(=O)[O-])CCCC1	ZINC000793085043	629486175	/nfs/dbraw/zinc/48/61/75/629486175.db2.gz	VWGIGMWLENAYMW-UHFFFAOYSA-N	-1	0	290.363	2.654	20	30		CFEDRM
COc1cc(C=NN[C@H](C)C(C)(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000793113963	629488635	/nfs/dbraw/zinc/48/86/35/629488635.db2.gz	IBMMVLUTMPYRMN-SECBINFHSA-N	-1	0	295.339	2.667	20	30		CFEDRM
C[C@H](NN=Cc1[nH]nc2cc(C(=O)[O-])ccc12)C(C)(C)C	ZINC000793116978	629489171	/nfs/dbraw/zinc/48/91/71/629489171.db2.gz	WAMBSTYJBWJZGH-VIFPVBQESA-N	-1	0	288.351	2.619	20	30		CFEDRM
CC[C@@H](C)CON=Cc1cccc(O[C@H](C)C(=O)[O-])c1	ZINC000793145384	629492240	/nfs/dbraw/zinc/49/22/40/629492240.db2.gz	IYKGMVCROUPOCG-VXGBXAGGSA-N	-1	0	279.336	2.935	20	30		CFEDRM
O=C([O-])c1csc(C=NNc2cccc(Cl)n2)c1	ZINC000793180837	629500994	/nfs/dbraw/zinc/50/09/94/629500994.db2.gz	BESICAULSVHXKT-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000793736101	629589801	/nfs/dbraw/zinc/58/98/01/629589801.db2.gz	VCQLMALGVUGMEV-DGCLKSJQSA-N	-1	0	290.363	2.780	20	30		CFEDRM
Cc1nnc(N=NC[C@@H](c2ccccc2)C(C)C)[n-]c1=O	ZINC000794474619	629648940	/nfs/dbraw/zinc/64/89/40/629648940.db2.gz	RSAGYOQANRNWRQ-CYBMUJFWSA-N	-1	0	285.351	2.723	20	30		CFEDRM
CC(=NNCCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000794545251	629658981	/nfs/dbraw/zinc/65/89/81/629658981.db2.gz	JKOXHAMYPJCDBF-UHFFFAOYSA-N	-1	0	291.229	2.566	20	30		CFEDRM
CSCCON=C(C)c1cc(C(=O)[O-])c(C)nc1C	ZINC000794572305	629662695	/nfs/dbraw/zinc/66/26/95/629662695.db2.gz	FIBAPAWQIFYAEP-UHFFFAOYSA-N	-1	0	282.365	2.500	20	30		CFEDRM
Cc1cccc(CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])n1	ZINC000794834137	629692315	/nfs/dbraw/zinc/69/23/15/629692315.db2.gz	QZZHVZVYPVTFNU-MHWRWJLKSA-N	-1	0	285.303	2.665	20	30		CFEDRM
[O-]c1cc(Cl)c(C=NNc2cncnc2)cc1Cl	ZINC000794972951	629713167	/nfs/dbraw/zinc/71/31/67/629713167.db2.gz	QDYUJNJJHCAYML-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1cncnc1	ZINC000794977903	629715349	/nfs/dbraw/zinc/71/53/49/629715349.db2.gz	CLYFZPSAYIKKAA-UHFFFAOYSA-N	-1	0	283.118	2.935	20	30		CFEDRM
O=C([O-])[C@H]1CCC(N=Nc2ncccc2F)c2ccccc21	ZINC000794994162	629719799	/nfs/dbraw/zinc/71/97/99/629719799.db2.gz	UINCTSZAPSQPAN-LBPRGKRZSA-N	-1	0	299.305	2.999	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2(CC=C)CCCC2)CC1	ZINC000835448900	629732924	/nfs/dbraw/zinc/73/29/24/629732924.db2.gz	KZPNYWCPKOGSSU-UHFFFAOYSA-N	-1	0	297.420	2.678	20	30		CFEDRM
Cc1ccc2c(C([O-])=C(C#N)C(=O)NC3CC3)csc2c1	ZINC000796637975	629943522	/nfs/dbraw/zinc/94/35/22/629943522.db2.gz	YBIPGJNHXNVBPI-LBPRGKRZSA-N	-1	0	298.367	2.811	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)CC(C)(C)C1CCCCC1	ZINC000796793748	629968533	/nfs/dbraw/zinc/96/85/33/629968533.db2.gz	UPFFAXKFKMNNBZ-UHFFFAOYSA-N	-1	0	287.425	2.615	20	30		CFEDRM
CCc1occc1C([O-])=C(C#N)C(=O)NC1CCCCC1	ZINC000797548186	630078770	/nfs/dbraw/zinc/07/87/70/630078770.db2.gz	BIQXHYQFTFRTFC-CYBMUJFWSA-N	-1	0	288.347	2.613	20	30		CFEDRM
N#Cc1cc(COC(=O)c2cc([S-])ccc2F)ccn1	ZINC000798725382	630235575	/nfs/dbraw/zinc/23/55/75/630235575.db2.gz	YLELAQNXDFBIGA-UHFFFAOYSA-N	-1	0	288.303	2.738	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1cccc(C2CCC2)c1	ZINC000798815651	630241548	/nfs/dbraw/zinc/24/15/48/630241548.db2.gz	BUGXLJBYVRIXHA-OAHLLOKOSA-N	-1	0	282.343	2.555	20	30		CFEDRM
C=C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)(C)C	ZINC000798906937	630258389	/nfs/dbraw/zinc/25/83/89/630258389.db2.gz	RVYLTBAFLAYSBF-VIFPVBQESA-N	-1	0	252.270	2.680	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2CCC(C(F)F)CC2)n1	ZINC000799461982	630310948	/nfs/dbraw/zinc/31/09/48/630310948.db2.gz	HLTSJPNEFPLEIQ-UHFFFAOYSA-N	-1	0	270.283	2.714	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)COC(C)C	ZINC000799884931	630351582	/nfs/dbraw/zinc/35/15/82/630351582.db2.gz	MOXXETBRURTJOD-UHFFFAOYSA-N	-1	0	280.324	2.606	20	30		CFEDRM
Cc1[nH]c(C=NN[C@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000800811302	630407038	/nfs/dbraw/zinc/40/70/38/630407038.db2.gz	PADIDBWHGIDIAF-SNVBAGLBSA-N	-1	0	271.320	2.706	20	30		CFEDRM
Cc1[nH]c(C=NN[C@H]2CCCCC2(C)C)cc1C(=O)[O-]	ZINC000800817553	630408438	/nfs/dbraw/zinc/40/84/38/630408438.db2.gz	PIGQERYVPZMAFY-ZDUSSCGKSA-N	-1	0	277.368	2.914	20	30		CFEDRM
C=C(C)COC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-]	ZINC000801413415	630446200	/nfs/dbraw/zinc/44/62/00/630446200.db2.gz	BQDPISMNMYJQFA-UHFFFAOYSA-N	-1	0	294.257	2.589	20	30		CFEDRM
O=C([O-])c1ccc(CN=Nc2nccnc2C2CCC2)cc1	ZINC000807992405	630932826	/nfs/dbraw/zinc/93/28/26/630932826.db2.gz	ISTWVXWATGLNPH-UHFFFAOYSA-N	-1	0	296.330	2.888	20	30		CFEDRM
C[C@H](Oc1ccc(C=NNCC2CCCC2)cc1)C(=O)[O-]	ZINC000808006598	630940317	/nfs/dbraw/zinc/94/03/17/630940317.db2.gz	WQSULJWLOMNPCE-LBPRGKRZSA-N	-1	0	290.363	2.652	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2cccc(Cl)c2)CCC1	ZINC000837042916	630943600	/nfs/dbraw/zinc/94/36/00/630943600.db2.gz	HMINLQLTRZEUSE-UHFFFAOYSA-N	-1	0	265.740	2.996	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1	ZINC000837049702	630945929	/nfs/dbraw/zinc/94/59/29/630945929.db2.gz	OHMMPAJHAIHJEW-JTQLQIEISA-N	-1	0	277.217	2.950	20	30		CFEDRM
CC(C)(C)c1[n-]n(CCOC2CCC2)c(=O)c1CCC#N	ZINC000808259034	630972780	/nfs/dbraw/zinc/97/27/80/630972780.db2.gz	GHKNEPLEGKAKQB-UHFFFAOYSA-N	-1	0	291.395	2.911	20	30		CFEDRM
N#CC1(COC(=O)c2cc(F)c([O-])c(F)c2)CCC1	ZINC000837558689	631065795	/nfs/dbraw/zinc/06/57/95/631065795.db2.gz	SOWOWZVFCXRINO-UHFFFAOYSA-N	-1	0	267.231	2.521	20	30		CFEDRM
O=C([O-])c1cc(/C=C/C(=O)c2cccc(O)c2)ccc1O	ZINC000809152264	631089455	/nfs/dbraw/zinc/08/94/55/631089455.db2.gz	CYTGAEULEAGQBI-GQCTYLIASA-N	-1	0	284.267	2.692	20	30		CFEDRM
C[C@@H]1C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)O1	ZINC000840713000	631176216	/nfs/dbraw/zinc/17/62/16/631176216.db2.gz	NWSJHHHIEIHRPS-FHXUTFISSA-N	-1	0	278.308	2.533	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2C=CCC2)c1	ZINC000042313653	649997490	/nfs/dbraw/zinc/99/74/90/649997490.db2.gz	VDGAJXINIGTSOS-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccs2)s1	ZINC000042243704	649996500	/nfs/dbraw/zinc/99/65/00/649996500.db2.gz	DYCNNEOQCFYIFU-UHFFFAOYSA-N	-1	0	287.387	2.812	20	30		CFEDRM
C#CCN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000809717073	631270409	/nfs/dbraw/zinc/27/04/09/631270409.db2.gz	WPKKWYATJGGXAX-UHFFFAOYSA-N	-1	0	296.326	2.936	20	30		CFEDRM
C#Cc1cccc(N(CC)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1	ZINC000840943101	631274120	/nfs/dbraw/zinc/27/41/20/631274120.db2.gz	BRJSZWKVXUJQJY-KGLIPLIRSA-N	-1	0	285.343	2.522	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)COc1ccc(C)c(C)c1	ZINC000042344749	649997954	/nfs/dbraw/zinc/99/79/54/649997954.db2.gz	CRTGHQYNHNODTG-UHFFFAOYSA-N	-1	0	299.392	2.769	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Cl	ZINC000042344027	649998271	/nfs/dbraw/zinc/99/82/71/649998271.db2.gz	GZEQAOQFLRCAKZ-UHFFFAOYSA-N	-1	0	275.757	2.775	20	30		CFEDRM
N#CC(C(=O)NC1CC1)=C([O-])c1ccc(C2=CCCC2)cc1	ZINC000810530303	631382609	/nfs/dbraw/zinc/38/26/09/631382609.db2.gz	AGWSDAKRQPSRLX-INIZCTEOSA-N	-1	0	294.354	2.855	20	30		CFEDRM
Cc1ccc2sc(C([O-])=C(C#N)C(=O)NC3CC3)cc2c1	ZINC000810533242	631383681	/nfs/dbraw/zinc/38/36/81/631383681.db2.gz	ZMAQATUSGSZYAN-GFCCVEGCSA-N	-1	0	298.367	2.811	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCCC[C@H]2CC)CC1	ZINC000810980517	631490525	/nfs/dbraw/zinc/49/05/25/631490525.db2.gz	BAKSZXJMEQZUGQ-OLZOCXBDSA-N	-1	0	299.436	2.758	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)CCC2CCCC2)CC1	ZINC000810989008	631491213	/nfs/dbraw/zinc/49/12/13/631491213.db2.gz	WEIPNLRZEBMXFQ-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
CC(=NOC/C=C/Cl)c1cc(C(=O)[O-])ccc1O	ZINC000811671358	631604444	/nfs/dbraw/zinc/60/44/44/631604444.db2.gz	DCTBBZFIYROGNI-MSVOIAIGSA-N	-1	0	269.684	2.584	20	30		CFEDRM
O=C([O-])Cn1cc(C=NOC/C=C/Cl)c2ccccc21	ZINC000811672373	631604581	/nfs/dbraw/zinc/60/45/81/631604581.db2.gz	XMPMFHXUPMZAGI-HCVKYZOSSA-N	-1	0	292.722	2.829	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2ccc([O-])c(F)c2)n1	ZINC000811689515	631606478	/nfs/dbraw/zinc/60/64/78/631606478.db2.gz	FQPHVJMCEGZOHN-ONEGZZNKSA-N	-1	0	274.276	2.756	20	30		CFEDRM
N#Cc1csc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])n1	ZINC000811692742	631607112	/nfs/dbraw/zinc/60/71/12/631607112.db2.gz	HLEKFLODPBJYLE-UPHRSURJSA-N	-1	0	292.266	2.895	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1O	ZINC000811698418	631607892	/nfs/dbraw/zinc/60/78/92/631607892.db2.gz	QKSJLBCEHAYYLA-XBXARRHUSA-N	-1	0	298.294	2.995	20	30		CFEDRM
C=C(Cl)CNC(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000811819235	631627164	/nfs/dbraw/zinc/62/71/64/631627164.db2.gz	LCWYFENSGHXMMY-UHFFFAOYSA-N	-1	0	274.103	2.521	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CO1	ZINC000842522227	631651767	/nfs/dbraw/zinc/65/17/67/631651767.db2.gz	JAOMEOGAVCNDJK-SSDOTTSWSA-N	-1	0	268.700	2.615	20	30		CFEDRM
CC(C)OCCON=C1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000812238773	631675819	/nfs/dbraw/zinc/67/58/19/631675819.db2.gz	FUBNNLKPATYNHZ-CQSZACIVSA-N	-1	0	291.347	2.794	20	30		CFEDRM
CC(C)OCCON=Cc1cc(Cl)cc(F)c1[O-]	ZINC000812239532	631676566	/nfs/dbraw/zinc/67/65/66/631676566.db2.gz	WJFVVTIUBGRUAK-UHFFFAOYSA-N	-1	0	275.707	2.960	20	30		CFEDRM
C=CC[C@H](C(=O)[N-]OCCOC(C)C)c1ccccc1	ZINC000812805354	631785471	/nfs/dbraw/zinc/78/54/71/631785471.db2.gz	LYAIGXSFYAJEAL-HNNXBMFYSA-N	-1	0	277.364	2.819	20	30		CFEDRM
COCC1(CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000843265360	631913232	/nfs/dbraw/zinc/91/32/32/631913232.db2.gz	FQVFPIIHIKWQAD-DHDCSXOGSA-N	-1	0	278.308	2.536	20	30		CFEDRM
CCc1nccn1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000843844310	632065890	/nfs/dbraw/zinc/06/58/90/632065890.db2.gz	YVWYCKQKAKXJAC-NSHDSACASA-N	-1	0	298.346	2.613	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H]1CCc2cc(Br)ccc21	ZINC000843900692	632075003	/nfs/dbraw/zinc/07/50/03/632075003.db2.gz	CQVKEEQULYIWTQ-LBPRGKRZSA-N	-1	0	296.164	2.713	20	30		CFEDRM
C[C@@H]1SCCC1N=Nc1ccc(C(=O)[O-])cc1	ZINC000814680188	632106739	/nfs/dbraw/zinc/10/67/39/632106739.db2.gz	DYLRFQFHSRIHQS-QMMMGPOBSA-N	-1	0	250.323	2.678	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000814682751	632107711	/nfs/dbraw/zinc/10/77/11/632107711.db2.gz	QJWAEKRXCHRTFU-VHSXEESVSA-N	-1	0	291.307	2.884	20	30		CFEDRM
CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1c[nH]nc1C	ZINC000814689665	632108836	/nfs/dbraw/zinc/10/88/36/632108836.db2.gz	CMNLXDSKSOXTII-UHFFFAOYSA-N	-1	0	292.726	2.906	20	30		CFEDRM
Cc1nocc1C=NNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000814689714	632109167	/nfs/dbraw/zinc/10/91/67/632109167.db2.gz	DGUCAHJNCBTPOW-UHFFFAOYSA-N	-1	0	279.683	2.781	20	30		CFEDRM
C[C@H]1CC(N=Nc2nncc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000814706346	632110799	/nfs/dbraw/zinc/11/07/99/632110799.db2.gz	XZVRIQAUALMFKD-GWCFXTLKSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[C@H]1C(=O)[O-]	ZINC000814709235	632111620	/nfs/dbraw/zinc/11/16/20/632111620.db2.gz	WCGSMIXOEVQIMV-GXSJLCMTSA-N	-1	0	286.335	2.852	20	30		CFEDRM
O=C([O-])c1ccccc1NN=C1COc2ccccc21	ZINC000814768021	632119811	/nfs/dbraw/zinc/11/98/11/632119811.db2.gz	FEFKGLOXSHWHHW-UHFFFAOYSA-N	-1	0	268.272	2.593	20	30		CFEDRM
C[C@@H]1C(=NNCc2cccc(F)c2)CC[C@H]1CC(=O)[O-]	ZINC000814804739	632128108	/nfs/dbraw/zinc/12/81/08/632128108.db2.gz	CXBQJRRDNJXHCP-JQWIXIFHSA-N	-1	0	278.327	2.792	20	30		CFEDRM
O=C([O-])c1cccc(C=NNCCCc2ccccc2)c1	ZINC000814837668	632135334	/nfs/dbraw/zinc/13/53/34/632135334.db2.gz	GMKRFBYGQZLVPI-UHFFFAOYSA-N	-1	0	282.343	2.941	20	30		CFEDRM
Cc1cc(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)ncn1	ZINC000814846322	632136963	/nfs/dbraw/zinc/13/69/63/632136963.db2.gz	MYIBIVGREZHEPH-NEPJUHHUSA-N	-1	0	290.367	2.710	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(F)cn1	ZINC000814842646	632137333	/nfs/dbraw/zinc/13/73/33/632137333.db2.gz	NBFKLTXAFDPUSP-UHFFFAOYSA-N	-1	0	265.288	2.654	20	30		CFEDRM
C[C@@H]1C(N=Nc2cnnc3ccccc23)CC[C@@H]1CC(=O)[O-]	ZINC000814849481	632138022	/nfs/dbraw/zinc/13/80/22/632138022.db2.gz	XDTXFFHVXUHZRG-WDEREUQCSA-N	-1	0	298.346	2.919	20	30		CFEDRM
Cc1nc(Cl)cc(N=NC2CC[C@H](CC(=O)[O-])[C@@H]2C)n1	ZINC000814854891	632139427	/nfs/dbraw/zinc/13/94/27/632139427.db2.gz	ALMSUNZHZVQUEF-IONNQARKSA-N	-1	0	296.758	2.727	20	30		CFEDRM
COc1ccc(CCNN=Cc2cccc(C(=O)[O-])c2)cc1	ZINC000814855204	632139755	/nfs/dbraw/zinc/13/97/55/632139755.db2.gz	IGMYZJYIATWEJI-UHFFFAOYSA-N	-1	0	298.342	2.560	20	30		CFEDRM
O=C([O-])c1cccc(C=NOCC(F)(F)F)c1Cl	ZINC000814880439	632146967	/nfs/dbraw/zinc/14/69/67/632146967.db2.gz	DUYGMSCOZUZZGC-UHFFFAOYSA-N	-1	0	281.617	2.951	20	30		CFEDRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\[C@@H](CO)CCF	ZINC000844271078	632150662	/nfs/dbraw/zinc/15/06/62/632150662.db2.gz	LUZXIJKVHZIZCA-JRJICXHWSA-N	-1	0	280.126	2.838	20	30		CFEDRM
C[C@H]1C(=NOCC(F)F)CC[C@@H](C(=O)[O-])C1(C)C	ZINC000814903850	632157125	/nfs/dbraw/zinc/15/71/25/632157125.db2.gz	DWKYKFHFUPYIKY-YUMQZZPRSA-N	-1	0	263.284	2.781	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=Nc1ccnc(F)c1	ZINC000814900842	632155724	/nfs/dbraw/zinc/15/57/24/632155724.db2.gz	KTXAFTFZFIAGGJ-UHFFFAOYSA-N	-1	0	265.288	2.654	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ccnc(F)c2)CC[C@@H]1C(=O)[O-]	ZINC000814902634	632156788	/nfs/dbraw/zinc/15/67/88/632156788.db2.gz	RQWHQSXWAFGRST-KCJUWKMLSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C(=NOCC(F)F)CC[C@H](C(=O)[O-])C1(C)C	ZINC000814903847	632157272	/nfs/dbraw/zinc/15/72/72/632157272.db2.gz	DWKYKFHFUPYIKY-HTQZYQBOSA-N	-1	0	263.284	2.781	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOCC(F)F)CC2	ZINC000814904089	632157641	/nfs/dbraw/zinc/15/76/41/632157641.db2.gz	QRMVMHCKCYLJBV-UHFFFAOYSA-N	-1	0	269.247	2.511	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1=NNC1CCCCC1	ZINC000814910074	632160700	/nfs/dbraw/zinc/16/07/00/632160700.db2.gz	QCQOJZUHLSSABO-WDEREUQCSA-N	-1	0	252.358	2.786	20	30		CFEDRM
[O-]c1cc(F)c(Cl)cc1C=NOC[C@H]1CCOC1	ZINC000814912191	632161864	/nfs/dbraw/zinc/16/18/64/632161864.db2.gz	LQBBMCXJEIABFY-QMMMGPOBSA-N	-1	0	273.691	2.572	20	30		CFEDRM
CN(C)c1ccccc1CNN=Cc1cccc(C(=O)[O-])c1	ZINC000814926486	632167779	/nfs/dbraw/zinc/16/77/79/632167779.db2.gz	YVTVISOILXIBHW-UHFFFAOYSA-N	-1	0	297.358	2.575	20	30		CFEDRM
C[C@@H]1CC(N=Nc2ncccc2F)CC[C@H]1C(=O)[O-]	ZINC000814927557	632168708	/nfs/dbraw/zinc/16/87/08/632168708.db2.gz	UQXZECIRNIUGSW-PSASIEDQSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C=C(C)CNN=C(C)c1cccc(OCCCC(=O)[O-])c1	ZINC000814932675	632171060	/nfs/dbraw/zinc/17/10/60/632171060.db2.gz	OEMCBXSLBZUUTL-UHFFFAOYSA-N	-1	0	290.363	2.820	20	30		CFEDRM
CC(=NN[C@H]1CCSC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814933643	632172018	/nfs/dbraw/zinc/17/20/18/632172018.db2.gz	VIMVOSFTWAITAR-JQWIXIFHSA-N	-1	0	272.414	2.739	20	30		CFEDRM
CCC(=NN[C@@H](CC)C(=O)[O-])c1ccc(F)cc1F	ZINC000814937302	632174365	/nfs/dbraw/zinc/17/43/65/632174365.db2.gz	BEWQOBSYONIBCT-LBPRGKRZSA-N	-1	0	270.279	2.532	20	30		CFEDRM
CC(Cc1ccc(-c2ccccc2)cc1)=NNCC(=O)[O-]	ZINC000814959193	632179585	/nfs/dbraw/zinc/17/95/85/632179585.db2.gz	SKHCTQINHLBFCJ-UHFFFAOYSA-N	-1	0	282.343	2.946	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@@H](c2ccccc2)C1	ZINC000814959904	632179618	/nfs/dbraw/zinc/17/96/18/632179618.db2.gz	GSZWTNACEGIMNK-CYBMUJFWSA-N	-1	0	260.337	2.765	20	30		CFEDRM
O=C([O-])CNN=C1CCCC[C@H]1C1=CCCCC1	ZINC000814958393	632179684	/nfs/dbraw/zinc/17/96/84/632179684.db2.gz	PUYWHLPQTGNPCY-LBPRGKRZSA-N	-1	0	250.342	2.707	20	30		CFEDRM
O=C([O-])CNN=C1CCC[C@H]1c1ccccc1Cl	ZINC000814959829	632179898	/nfs/dbraw/zinc/17/98/98/632179898.db2.gz	DYBUHBHGDDYYFI-JTQLQIEISA-N	-1	0	266.728	2.638	20	30		CFEDRM
O=C([O-])CNN=Cc1ccc(-c2ccc(F)cc2)s1	ZINC000814958147	632179971	/nfs/dbraw/zinc/17/99/71/632179971.db2.gz	AKZADQBNGNCELU-UHFFFAOYSA-N	-1	0	278.308	2.562	20	30		CFEDRM
CC(C)(C)[C@H]([N-]C(=O)C(F)C(F)(F)F)C(F)(F)F	ZINC000815711086	632314085	/nfs/dbraw/zinc/31/40/85/632314085.db2.gz	FGVYNIHLVFDSMX-NJGYIYPDSA-N	-1	0	283.187	2.980	20	30		CFEDRM
C=CCCCCOC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000816088972	632369228	/nfs/dbraw/zinc/36/92/28/632369228.db2.gz	BQZSNGBMTURPMU-JTQLQIEISA-N	-1	0	295.301	2.589	20	30		CFEDRM
C=CCCCC(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C	ZINC000816334617	632420023	/nfs/dbraw/zinc/42/00/23/632420023.db2.gz	GWSLADDKIYZEBV-UHFFFAOYSA-N	-1	0	295.404	2.606	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cc[nH]c1C1CCC1	ZINC000845452773	632438090	/nfs/dbraw/zinc/43/80/90/632438090.db2.gz	ZLDCYVOSVZSESN-AWEZNQCLSA-N	-1	0	299.374	2.663	20	30		CFEDRM
N#C[C@@]1(F)CCN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000816588043	632490169	/nfs/dbraw/zinc/49/01/69/632490169.db2.gz	DULBUEQIFCOOOD-LBPRGKRZSA-N	-1	0	272.682	2.622	20	30		CFEDRM
N#CC(C(=O)C1CC1)=C([O-])c1cc2c(s1)CCCC2	ZINC000845838576	632577641	/nfs/dbraw/zinc/57/76/41/632577641.db2.gz	XHBTVLJYEUFRFT-LLVKDONJSA-N	-1	0	273.357	2.928	20	30		CFEDRM
CCOCC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2	ZINC000845836805	632577885	/nfs/dbraw/zinc/57/78/85/632577885.db2.gz	MFMJELNIQVDHCR-NSHDSACASA-N	-1	0	291.372	2.555	20	30		CFEDRM
CC[C@@H](NN=C(C)c1ccc(Cl)cc1OC)C(=O)[O-]	ZINC000817329088	632604346	/nfs/dbraw/zinc/60/43/46/632604346.db2.gz	RJTQHJWNNBPHDP-LLVKDONJSA-N	-1	0	284.743	2.525	20	30		CFEDRM
N#C[C@H](CCc1ccccc1)C(=O)[N-]OCCC1CC1	ZINC000817446170	632637324	/nfs/dbraw/zinc/63/73/24/632637324.db2.gz	JDWJKSQKLIRTJK-HNNXBMFYSA-N	-1	0	272.348	2.607	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(C(C)C)cc1	ZINC000846540414	632729353	/nfs/dbraw/zinc/72/93/53/632729353.db2.gz	UKBAMVSNKYGTST-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(Cl)cc1Cl	ZINC000846541349	632729374	/nfs/dbraw/zinc/72/93/74/632729374.db2.gz	UEOYKCKJBORFGV-UHFFFAOYSA-N	-1	0	290.146	2.996	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)Oc1cccc(C)c1	ZINC000846545005	632733133	/nfs/dbraw/zinc/73/31/33/632733133.db2.gz	DJFDBHLWVOVNPU-GXTWGEPZSA-N	-1	0	263.337	2.775	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](CC)Oc1ccccc1F	ZINC000846546954	632735097	/nfs/dbraw/zinc/73/50/97/632735097.db2.gz	MNNVAABPZJZDPC-ZYHUDNBSSA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CCCC)ON=C(C)C	ZINC000846549474	632737164	/nfs/dbraw/zinc/73/71/64/632737164.db2.gz	NWRGVHKDWIMOEO-NWDGAFQWSA-N	-1	0	256.346	2.580	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1csc(C(C)(C)C)n1	ZINC000846549118	632737312	/nfs/dbraw/zinc/73/73/12/632737312.db2.gz	HWZUCYMYAKNNPS-VIFPVBQESA-N	-1	0	268.382	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(-c2ccsc2)oc1C	ZINC000846551093	632738352	/nfs/dbraw/zinc/73/83/52/632738352.db2.gz	QYKBODNNLXTXOI-VIFPVBQESA-N	-1	0	292.360	2.876	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](CC)OC1CCCCC1	ZINC000846550536	632738699	/nfs/dbraw/zinc/73/86/99/632738699.db2.gz	YALDHCGDLMOXDH-WCQYABFASA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(C(F)(F)F)CCCC1	ZINC000846555797	632741650	/nfs/dbraw/zinc/74/16/50/632741650.db2.gz	ZINIZYXNEGSSPH-MRVPVSSYSA-N	-1	0	251.248	2.731	20	30		CFEDRM
Cc1nn(C(C)C)cc1C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000847615376	633009305	/nfs/dbraw/zinc/00/93/05/633009305.db2.gz	BBBVSZWHGSAFHA-UHFFFAOYSA-N	-1	0	284.319	2.602	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(C2CC2)c1	ZINC000847620461	633010359	/nfs/dbraw/zinc/01/03/59/633010359.db2.gz	AECDWFUCBGCWIY-OAHLLOKOSA-N	-1	0	282.343	2.509	20	30		CFEDRM
C=C[C@H](C)ONC(=O)CCc1ccc2c(c1)OC(F)(F)O2	ZINC000848246246	633223874	/nfs/dbraw/zinc/22/38/74/633223874.db2.gz	WZIPFNILNFIBSJ-VIFPVBQESA-N	-1	0	299.273	2.563	20	30		CFEDRM
CC[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CCO1	ZINC000848414929	633253279	/nfs/dbraw/zinc/25/32/79/633253279.db2.gz	FYSUMNPADWETJX-CQSZACIVSA-N	-1	0	276.336	2.671	20	30		CFEDRM
CSC1(CN=Nc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000848415141	633253426	/nfs/dbraw/zinc/25/34/26/633253426.db2.gz	XMZAORMGFIDWLR-UHFFFAOYSA-N	-1	0	278.377	2.997	20	30		CFEDRM
CO[C@@H]1CCCCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415989	633253515	/nfs/dbraw/zinc/25/35/15/633253515.db2.gz	VEFJCMZFVVOODS-CQSZACIVSA-N	-1	0	276.336	2.671	20	30		CFEDRM
O=C(/C=C\c1cn(C2CCC2)nn1)c1ccccc1[O-]	ZINC000849246838	633589958	/nfs/dbraw/zinc/58/99/58/633589958.db2.gz	LTDZHFRDMWGHHP-HJWRWDBZSA-N	-1	0	269.304	2.605	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)CC#N	ZINC000850738893	634068557	/nfs/dbraw/zinc/06/85/57/634068557.db2.gz	GPEZXDTYAHHRLN-GWCFXTLKSA-N	-1	0	293.326	2.918	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C2CCC3(CC3)CC2)CC1	ZINC000851031653	634187478	/nfs/dbraw/zinc/18/74/78/634187478.db2.gz	GUZKVYGWTWMGQP-UHFFFAOYSA-N	-1	0	297.420	2.512	20	30		CFEDRM
N#Cc1c(Cl)nsc1N1CCC[C@H](CCC(=O)[O-])C1	ZINC000852909866	634859480	/nfs/dbraw/zinc/85/94/80/634859480.db2.gz	CVRHYKNEQISRQI-MRVPVSSYSA-N	-1	0	299.783	2.749	20	30		CFEDRM
Cc1cc(=O)[n-]c(N=NC2[C@@H]3CCC[C@@H]3C2(C)C)n1	ZINC000853254086	634952357	/nfs/dbraw/zinc/95/23/57/634952357.db2.gz	LQPAWAGTLDIXGW-ZJUUUORDSA-N	-1	0	260.341	2.715	20	30		CFEDRM
Cc1nnc(N=NC2CCC(C3CCC3)CC2)[n-]c1=O	ZINC000853270447	634956629	/nfs/dbraw/zinc/95/66/29/634956629.db2.gz	XFJGLBSIXIDCNV-UHFFFAOYSA-N	-1	0	275.356	2.644	20	30		CFEDRM
CO[C@H](CN=Nc1ccccc1C(=O)[O-])C1CCCC1	ZINC000853280591	634958309	/nfs/dbraw/zinc/95/83/09/634958309.db2.gz	MBIMJKFOYIUOCU-CQSZACIVSA-N	-1	0	276.336	2.988	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NC(C)C1(OC)CCC1	ZINC000853324762	634969236	/nfs/dbraw/zinc/96/92/36/634969236.db2.gz	DPKYJNIPNQHSIX-UHFFFAOYSA-N	-1	0	292.335	2.750	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC2CCCCC2)cc1F	ZINC000853336478	634974680	/nfs/dbraw/zinc/97/46/80/634974680.db2.gz	AXXMRITWVSHLGP-UHFFFAOYSA-N	-1	0	264.300	2.780	20	30		CFEDRM
C[C@H](NN=C1C(=O)Nc2cc([O-])c(Cl)cc21)C(C)(C)C	ZINC000853349724	634979866	/nfs/dbraw/zinc/97/98/66/634979866.db2.gz	GNEXZALUANZEIJ-ZETCQYMHSA-N	-1	0	295.770	2.726	20	30		CFEDRM
C[C@H](Oc1cccc(C=NN2CCCC[C@@H]2C)c1)C(=O)[O-]	ZINC000853378988	634986523	/nfs/dbraw/zinc/98/65/23/634986523.db2.gz	BHOKEBLMFIDICF-STQMWFEESA-N	-1	0	290.363	2.747	20	30		CFEDRM
C[C@@H]1CCCCN1N=Cc1cccc(OCCC(=O)[O-])c1	ZINC000853380667	634988054	/nfs/dbraw/zinc/98/80/54/634988054.db2.gz	RIUHOOOCWIBSCM-CYBMUJFWSA-N	-1	0	290.363	2.748	20	30		CFEDRM
C[C@@H]1C(=NN2CCCC[C@H]2C)CC[C@@H]1CC(=O)[O-]	ZINC000853382226	634988791	/nfs/dbraw/zinc/98/87/91/634988791.db2.gz	VXIYNFZKHBTQOT-GRYCIOLGSA-N	-1	0	252.358	2.738	20	30		CFEDRM
CC(=NOCC1CCC1)c1csc(C(=O)[O-])c1	ZINC000853440869	635001542	/nfs/dbraw/zinc/00/15/42/635001542.db2.gz	NQCDWFZVCXOSJT-UHFFFAOYSA-N	-1	0	253.323	2.987	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@]1(c2ccccc2)CC1(C)C	ZINC000855026482	635445181	/nfs/dbraw/zinc/44/51/81/635445181.db2.gz	GIKGGCUBECBJSE-LRDDRELGSA-N	-1	0	259.349	2.977	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C	ZINC000855028685	635446530	/nfs/dbraw/zinc/44/65/30/635446530.db2.gz	YXPYFCLCPOWPSM-MNOVXSKESA-N	-1	0	285.384	2.613	20	30		CFEDRM
C#C[C@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1	ZINC000855048247	635450738	/nfs/dbraw/zinc/45/07/38/635450738.db2.gz	SEDMEGMLSGZRKV-JTQLQIEISA-N	-1	0	286.356	2.602	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1ccccc1C(C)(C)C	ZINC000856029573	635704013	/nfs/dbraw/zinc/70/40/13/635704013.db2.gz	UFKFUEYQECOSTP-UHFFFAOYSA-N	-1	0	277.364	2.987	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)SCc1ccccc1	ZINC000856030689	635706609	/nfs/dbraw/zinc/70/66/09/635706609.db2.gz	MJLOCTVSECVGHR-LBPRGKRZSA-N	-1	0	265.378	2.932	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](CC)Oc1ccccc1C	ZINC000856032935	635707900	/nfs/dbraw/zinc/70/79/00/635707900.db2.gz	TVNQLRXHFPVDQH-CYBMUJFWSA-N	-1	0	263.337	2.776	20	30		CFEDRM
CCCCCCCC(=O)N1CCSC[C@H](C(=O)[O-])C1	ZINC000856995586	635902383	/nfs/dbraw/zinc/90/23/83/635902383.db2.gz	IQFVQPQSBPUYKX-GFCCVEGCSA-N	-1	0	287.425	2.623	20	30		CFEDRM
CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1)C1CC1	ZINC000048407493	650265423	/nfs/dbraw/zinc/26/54/23/650265423.db2.gz	PLOSAPHGZYDOCZ-MDZDMXLPSA-N	-1	0	265.334	2.688	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000048475728	650268267	/nfs/dbraw/zinc/26/82/67/650268267.db2.gz	WLDOSXNDBUCADZ-UHFFFAOYSA-N	-1	0	293.344	2.898	20	30		CFEDRM
CS(=O)(=O)[N-]C(=O)c1ccccc1Cc1ccccc1	ZINC000048478852	650268354	/nfs/dbraw/zinc/26/83/54/650268354.db2.gz	FYAGGVCJROLUAX-UHFFFAOYSA-N	-1	0	289.356	2.542	20	30		CFEDRM
CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000048496880	650269514	/nfs/dbraw/zinc/26/95/14/650269514.db2.gz	JBTKPEPKNOVCPX-UHFFFAOYSA-N	-1	0	280.349	2.640	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCSCC2)c1	ZINC000194640405	636795543	/nfs/dbraw/zinc/79/55/43/636795543.db2.gz	WQJHFPSHDCFTLU-MDWZMJQESA-N	-1	0	266.322	2.615	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)c(F)c1	ZINC000075040286	650312662	/nfs/dbraw/zinc/31/26/62/650312662.db2.gz	VUDXYGVTXKPEHQ-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
CC(C)(C(=O)[N-]OC/C=C\Cl)c1ccc(C#N)cc1	ZINC000861782731	637235816	/nfs/dbraw/zinc/23/58/16/637235816.db2.gz	IODQSKKZVXPYDB-BAQGIRSFSA-N	-1	0	278.739	2.636	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@H](C)CC)c1	ZINC000861898138	637254258	/nfs/dbraw/zinc/25/42/58/637254258.db2.gz	CWGOVYZNMMLOQX-VXGBXAGGSA-N	-1	0	290.363	2.761	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CC)c1ccc(Br)cc1	ZINC000862183769	637284369	/nfs/dbraw/zinc/28/43/69/637284369.db2.gz	LASJIFWCVLFLRN-GFCCVEGCSA-N	-1	0	296.164	2.624	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](CCC)c1cccc(Cl)c1	ZINC000862184473	637285648	/nfs/dbraw/zinc/28/56/48/637285648.db2.gz	RGIHUIIWZXPHCZ-CYBMUJFWSA-N	-1	0	265.740	2.905	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](C)OCc1ccccc1C	ZINC000862217867	637289366	/nfs/dbraw/zinc/28/93/66/637289366.db2.gz	VTQYPUYHVRHJKM-ZDUSSCGKSA-N	-1	0	263.337	2.524	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])nc1)C1CC(F)(F)C1	ZINC000863118500	637563149	/nfs/dbraw/zinc/56/31/49/637563149.db2.gz	ZHFZZUHULKIPPS-UHFFFAOYSA-N	-1	0	269.251	2.613	20	30		CFEDRM
O=C([O-])c1ccc(C=NNCC(F)(F)C(F)(F)F)cc1	ZINC000863181831	637581629	/nfs/dbraw/zinc/58/16/29/637581629.db2.gz	SQQJELJWINQTJT-UHFFFAOYSA-N	-1	0	296.195	2.506	20	30		CFEDRM
N#Cc1cc(F)cc(NCc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000864033376	637838015	/nfs/dbraw/zinc/83/80/15/637838015.db2.gz	UERYGOUXYUWWBX-UHFFFAOYSA-N	-1	0	287.250	2.923	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864143178	637892161	/nfs/dbraw/zinc/89/21/61/637892161.db2.gz	DUCCXJXASAAZQR-IEHMKBBKSA-N	-1	0	277.320	2.852	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1	ZINC000864178656	637904614	/nfs/dbraw/zinc/90/46/14/637904614.db2.gz	IINBJVMXOGTMDU-SYTKJHMZSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1	ZINC000864179424	637904852	/nfs/dbraw/zinc/90/48/52/637904852.db2.gz	VFANKBQEFDANSJ-DJYGCBNOSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1	ZINC000864178488	637904881	/nfs/dbraw/zinc/90/48/81/637904881.db2.gz	BJFMKNXBWHWDQQ-GXMKHXEJSA-N	-1	0	275.304	2.558	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)c1c(C)oc(C)c1C)C(=O)[O-]	ZINC000864185630	637907236	/nfs/dbraw/zinc/90/72/36/637907236.db2.gz	YBEQUBIILBQBSR-SNVBAGLBSA-N	-1	0	285.727	2.530	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C[C@H](CC)C(C)C)C(=O)[O-]	ZINC000864184672	637907346	/nfs/dbraw/zinc/90/73/46/637907346.db2.gz	RWEYZYWGUZRJQK-WDEREUQCSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000864185448	637907631	/nfs/dbraw/zinc/90/76/31/637907631.db2.gz	YUNVTOOXDPSIMD-SKDRFNHKSA-N	-1	0	299.729	2.641	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)/C=C(/C)c1cccc(F)c1)C(=O)[O-]	ZINC000864186961	637908479	/nfs/dbraw/zinc/90/84/79/637908479.db2.gz	AVZZJWIYHPYHIR-KOTGUFOOSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)Cc1cccc(CC)c1)C(=O)[O-]	ZINC000864186888	637908502	/nfs/dbraw/zinc/90/85/02/637908502.db2.gz	ZCAFLQFBEKDXOT-ZDUSSCGKSA-N	-1	0	295.766	2.504	20	30		CFEDRM
CO[C@H]1C[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000864345995	637947166	/nfs/dbraw/zinc/94/71/66/637947166.db2.gz	LQNOCQLYZNCKTF-GJUUHNHSSA-N	-1	0	284.699	2.550	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)NC[C@@H](C)C(C)(C)C)C(=O)[O-]	ZINC000864527656	638012375	/nfs/dbraw/zinc/01/23/75/638012375.db2.gz	GVJMMEVTHLVGMI-PSASIEDQSA-N	-1	0	290.791	2.564	20	30		CFEDRM
C=C(C)C[C@@H](NCc1nc2ccccc2n1CC)C(=O)[O-]	ZINC000864529537	638013383	/nfs/dbraw/zinc/01/33/83/638013383.db2.gz	JDUJDZURQVHNCU-CYBMUJFWSA-N	-1	0	287.363	2.565	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2=COCCC2)c(C)c1	ZINC000076758049	650402003	/nfs/dbraw/zinc/40/20/03/650402003.db2.gz	URARUTZNPULIQK-UHFFFAOYSA-N	-1	0	295.360	2.643	20	30		CFEDRM
Cc1scc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1C	ZINC000865214312	638225693	/nfs/dbraw/zinc/22/56/93/638225693.db2.gz	QTUMQANMDDJQLN-NNTXTVRGSA-N	-1	0	290.340	2.593	20	30		CFEDRM
Cn1nc2c(c1C=CC(=O)c1sccc1[O-])CCCC2	ZINC000865224514	638227899	/nfs/dbraw/zinc/22/78/99/638227899.db2.gz	RXFISJWTNAKXCS-SREVYHEPSA-N	-1	0	288.372	2.962	20	30		CFEDRM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000076910185	650409995	/nfs/dbraw/zinc/40/99/95/650409995.db2.gz	OOYQCRGUIQKPDY-GFCCVEGCSA-N	-1	0	283.393	2.952	20	30		CFEDRM
CCOCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077880246	650459035	/nfs/dbraw/zinc/45/90/35/650459035.db2.gz	IEHCIWJWBDQOFR-LBPRGKRZSA-N	-1	0	299.392	2.851	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc(C(F)(F)F)n1	ZINC000868764581	638976522	/nfs/dbraw/zinc/97/65/22/638976522.db2.gz	SMRKISFFWDQUJA-UHFFFAOYSA-N	-1	0	288.269	2.612	20	30		CFEDRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)C1CC=CC1	ZINC000077940246	650464971	/nfs/dbraw/zinc/46/49/71/650464971.db2.gz	RWJIQZHXJCGCTK-UHFFFAOYSA-N	-1	0	265.334	2.606	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@@H](C)OCc1cccc(C)c1	ZINC000869152401	639047867	/nfs/dbraw/zinc/04/78/67/639047867.db2.gz	AWCWRYVXGXWHKB-CYBMUJFWSA-N	-1	0	263.337	2.524	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CSCC)cc1	ZINC000191251935	650486047	/nfs/dbraw/zinc/48/60/47/650486047.db2.gz	DWXZBSIIVFKWDM-UHFFFAOYSA-N	-1	0	293.388	2.653	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cscc1Cl	ZINC000870159664	639530315	/nfs/dbraw/zinc/53/03/15/639530315.db2.gz	RZSFZSGXAYNWDF-SECBINFHSA-N	-1	0	296.779	2.783	20	30		CFEDRM
CC(C)(C)c1csc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000870287258	639581221	/nfs/dbraw/zinc/58/12/21/639581221.db2.gz	HYGLMKSSSCBESE-VIFPVBQESA-N	-1	0	286.360	2.721	20	30		CFEDRM
CC[C@@H](CC(F)(F)F)C(=O)[N-]Oc1cccc(C#N)c1	ZINC000870690836	639773294	/nfs/dbraw/zinc/77/32/94/639773294.db2.gz	VFMOPAMKBVXMCG-JTQLQIEISA-N	-1	0	286.253	2.947	20	30		CFEDRM
CC(C)C[C@@H](C)OCCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691217	639773382	/nfs/dbraw/zinc/77/33/82/639773382.db2.gz	HOMBYGHSACXCNV-CYBMUJFWSA-N	-1	0	290.363	2.810	20	30		CFEDRM
CC(C)C[C@H](C)OCCC(=O)[N-]Oc1cccc(C#N)c1	ZINC000870691218	639773859	/nfs/dbraw/zinc/77/38/59/639773859.db2.gz	HOMBYGHSACXCNV-ZDUSSCGKSA-N	-1	0	290.363	2.810	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)C23CC(C(F)(F)F)(C2)C3)c1	ZINC000870690673	639773862	/nfs/dbraw/zinc/77/38/62/639773862.db2.gz	CHGXITUXAYSQOS-UHFFFAOYSA-N	-1	0	296.248	2.701	20	30		CFEDRM
O=C(CCC1CCC1)[N-]S(=O)(=O)c1cccs1	ZINC000079137405	650563216	/nfs/dbraw/zinc/56/32/16/650563216.db2.gz	AMXRLGNFDOAIKV-UHFFFAOYSA-N	-1	0	273.379	2.974	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)cc1F	ZINC000079153374	650565635	/nfs/dbraw/zinc/56/56/35/650565635.db2.gz	SMVCAXJCRGTWML-UHFFFAOYSA-N	-1	0	287.356	2.957	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](CC)C(C)(C)C)CC1	ZINC000870839052	641091850	/nfs/dbraw/zinc/09/18/50/641091850.db2.gz	DSBKALYDDDWXPB-LLVKDONJSA-N	-1	0	287.425	2.613	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1	ZINC000871597533	641363240	/nfs/dbraw/zinc/36/32/40/641363240.db2.gz	RZLIQDIGOCYFKG-YSPYNQBZSA-N	-1	0	290.319	2.677	20	30		CFEDRM
CC(C)(C(=O)[N-]OCc1ccc(C#N)o1)c1ccccc1	ZINC000871730196	641427258	/nfs/dbraw/zinc/42/72/58/641427258.db2.gz	UBHLNHBWBWFFBD-UHFFFAOYSA-N	-1	0	284.315	2.677	20	30		CFEDRM
CC[C@H](C)c1cc(=O)n(-c2cc(C#N)cc(Cl)n2)[n-]1	ZINC000871953957	641527006	/nfs/dbraw/zinc/52/70/06/641527006.db2.gz	AYHRMBWGPQLZHA-QMMMGPOBSA-N	-1	0	276.727	2.745	20	30		CFEDRM
N#Cc1ccc(Cn2[n-]c(C3CCCC3)cc2=O)cc1	ZINC000871954635	641528077	/nfs/dbraw/zinc/52/80/77/641528077.db2.gz	BAANBBYMUCTCHH-UHFFFAOYSA-N	-1	0	267.332	2.837	20	30		CFEDRM
CCc1c(C(C)C)[n-]n(-c2cc(C#N)cc(Cl)n2)c1=O	ZINC000871954768	641528685	/nfs/dbraw/zinc/52/86/85/641528685.db2.gz	NFMBIRDGVIPJQT-JTQLQIEISA-N	-1	0	290.754	2.991	20	30		CFEDRM
CC(CCc1ccc(O[C@@H](C)C(=O)[O-])cc1)=NN1CCC1	ZINC000872398031	641792240	/nfs/dbraw/zinc/79/22/40/641792240.db2.gz	AUYIVWHWCCVCIZ-ZDUSSCGKSA-N	-1	0	290.363	2.553	20	30		CFEDRM
C#Cc1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1	ZINC000872889955	641956715	/nfs/dbraw/zinc/95/67/15/641956715.db2.gz	OCKHDYKCZLFUOU-UHFFFAOYSA-N	-1	0	271.316	2.642	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)SCC(=O)[O-]	ZINC000872981129	641976083	/nfs/dbraw/zinc/97/60/83/641976083.db2.gz	RBKWAEFMVZAPBD-RYUDHWBXSA-N	-1	0	299.436	2.834	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000873006073	641982674	/nfs/dbraw/zinc/98/26/74/641982674.db2.gz	YJIAWCWPSVUEQZ-NEPJUHHUSA-N	-1	0	267.369	2.596	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1sccc1C(F)F	ZINC000873498206	642224225	/nfs/dbraw/zinc/22/42/25/642224225.db2.gz	SDFDEGUMNLWJNF-SECBINFHSA-N	-1	0	298.314	2.631	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)C[C@@H](C)C(C)(C)C	ZINC000873604829	642271925	/nfs/dbraw/zinc/27/19/25/642271925.db2.gz	XWVLHBWYDBTLLK-LLVKDONJSA-N	-1	0	289.441	2.717	20	30		CFEDRM
CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1	ZINC000875497692	642630888	/nfs/dbraw/zinc/63/08/88/642630888.db2.gz	DHKQNSYSSHPGLU-NSHDSACASA-N	-1	0	288.244	2.865	20	30		CFEDRM
O=C([N-]S(=O)(=O)C1CCCC1)[C@@H]1CC=CCC1	ZINC000086055980	650795839	/nfs/dbraw/zinc/79/58/39/650795839.db2.gz	ADVQATNYKPYUTQ-SNVBAGLBSA-N	-1	0	257.355	2.572	20	30		CFEDRM
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1[O-]	ZINC000127134744	643908243	/nfs/dbraw/zinc/90/82/43/643908243.db2.gz	USSITIUZNJRNON-VIFPVBQESA-N	-1	0	298.346	2.736	20	30		CFEDRM
Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1CC(C)C	ZINC000129879330	645420662	/nfs/dbraw/zinc/42/06/62/645420662.db2.gz	XPVWYGFHPSEQSE-UHFFFAOYSA-N	-1	0	298.346	2.677	20	30		CFEDRM
CCCCCCCCc1nnc([N-]S(C)(=O)=O)s1	ZINC000130119173	645455400	/nfs/dbraw/zinc/45/54/00/645455400.db2.gz	SSDRNAGJLWTFOX-UHFFFAOYSA-N	-1	0	291.442	2.813	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)c2ccsc2)c1	ZINC000304336004	651022411	/nfs/dbraw/zinc/02/24/11/651022411.db2.gz	WBLHXMLWRDWIFD-VYAXBHEWSA-N	-1	0	292.316	2.514	20	30		CFEDRM
C[C@]1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1	ZINC000132417375	645915530	/nfs/dbraw/zinc/91/55/30/645915530.db2.gz	RLZVRSJPCJOKRM-BKNIFWKGSA-N	-1	0	298.726	2.942	20	30		CFEDRM
N#Cc1cc(N2CCCC[C@H]2CC(=O)[O-])c2ccccc2n1	ZINC000886914172	647173617	/nfs/dbraw/zinc/17/36/17/647173617.db2.gz	ROUPBHZQPIQIRR-ZDUSSCGKSA-N	-1	0	295.342	2.940	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC000929012686	648973834	/nfs/dbraw/zinc/97/38/34/648973834.db2.gz	ZZDKNJPQXVFQQR-WBMJQRKESA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[n-]1	ZINC000934279057	649768436	/nfs/dbraw/zinc/76/84/36/649768436.db2.gz	JYQPCSPMPUTZRK-LBPRGKRZSA-N	-1	0	277.368	2.684	20	30		CFEDRM
Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000254671460	651093299	/nfs/dbraw/zinc/09/32/99/651093299.db2.gz	UTSINLBKLUUSFO-UHFFFAOYSA-N	-1	0	286.316	2.788	20	30		CFEDRM
Cc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1	ZINC000254758497	651095523	/nfs/dbraw/zinc/09/55/23/651095523.db2.gz	ITZLEZJDIPBZBI-UHFFFAOYSA-N	-1	0	255.277	2.534	20	30		CFEDRM
N#Cc1ccc(-c2cc(F)cc(F)c2[O-])nc1F	ZINC001243505241	782239977	/nfs/dbraw/zinc/23/99/77/782239977.db2.gz	UUWZKOPEAHWQCE-UHFFFAOYSA-N	-1	0	250.179	2.743	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])c(F)c2F)ccc1C#N	ZINC001243511495	782247064	/nfs/dbraw/zinc/24/70/64/782247064.db2.gz	CUVLOKAWSRXYBK-UHFFFAOYSA-N	-1	0	290.225	2.605	20	30		CFEDRM
N#CCc1ccc(-c2ccc(C(=O)[O-])c(F)c2F)cn1	ZINC001243515132	782248958	/nfs/dbraw/zinc/24/89/58/782248958.db2.gz	SCXODMKMUWORQD-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
C=C[C@@H](CCCC)OCCCC[P@@](=O)([O-])O	ZINC001225019633	778814769	/nfs/dbraw/zinc/81/47/69/778814769.db2.gz	ZDRUQPSULMHNTI-NSHDSACASA-N	-1	0	250.275	2.706	20	30		CFEDRM
CC(=O)c1ccc(Nc2scc([O-])c2C#N)cn1	ZINC001210272536	770250952	/nfs/dbraw/zinc/25/09/52/770250952.db2.gz	XEYKTTUBLQOCJQ-UHFFFAOYSA-N	-1	0	259.290	2.667	20	30		CFEDRM
N#Cc1cccc(C#N)c1Nc1ccccc1C(=O)[O-]	ZINC001210967648	770406980	/nfs/dbraw/zinc/40/69/80/770406980.db2.gz	ORIIFAJHXOQLDN-UHFFFAOYSA-N	-1	0	263.256	2.872	20	30		CFEDRM
N#Cc1cc(Nc2ccccc2C(=O)[O-])ccc1O	ZINC001210968843	770407126	/nfs/dbraw/zinc/40/71/26/770407126.db2.gz	MCIZTYZVWGYCQG-UHFFFAOYSA-N	-1	0	254.245	2.706	20	30		CFEDRM
CC(=O)Nc1ccc(Nc2ccccc2C(=O)[O-])cc1C#N	ZINC001210968885	770407143	/nfs/dbraw/zinc/40/71/43/770407143.db2.gz	MZNWOOZPADYZPM-UHFFFAOYSA-N	-1	0	295.298	2.958	20	30		CFEDRM
N#Cc1cc(O)ccc1Nc1ccccc1C(=O)[O-]	ZINC001210969916	770408329	/nfs/dbraw/zinc/40/83/29/770408329.db2.gz	ZEWCWMGFDRJYCP-UHFFFAOYSA-N	-1	0	254.245	2.706	20	30		CFEDRM
C[C@H](Oc1cccc(/C=C\C(=O)c2ccncc2)c1)C(=O)[O-]	ZINC000588386389	770469791	/nfs/dbraw/zinc/46/97/91/770469791.db2.gz	MVEKZKUSLWIKIS-FJOGCWAESA-N	-1	0	297.310	2.830	20	30		CFEDRM
C#Cc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cn1	ZINC001211542354	770908816	/nfs/dbraw/zinc/90/88/16/770908816.db2.gz	GWJHEIVVPAYHPM-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
Cc1cc(NCc2ccccc2C#N)cnc1C(=O)[O-]	ZINC001167632719	773202649	/nfs/dbraw/zinc/20/26/49/773202649.db2.gz	ANJJFFFGAYDOOU-UHFFFAOYSA-N	-1	0	267.288	2.572	20	30		CFEDRM
C#Cc1cccnc1Nc1ccc(C)c(C(=O)[O-])c1	ZINC001211593845	775150748	/nfs/dbraw/zinc/15/07/48/775150748.db2.gz	BXFMGTFVULMWNF-UHFFFAOYSA-N	-1	0	252.273	2.813	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C(C)=C\c1ccc(Cl)cc1	ZINC000588592841	775242951	/nfs/dbraw/zinc/24/29/51/775242951.db2.gz	CJMHCDQPNXKDDD-LUAWRHEFSA-N	-1	0	293.750	2.843	20	30		CFEDRM
C=C[C@H](CCCCCC)OCCCS(=O)(=O)[O-]	ZINC001224897901	775301697	/nfs/dbraw/zinc/30/16/97/775301697.db2.gz	JEEWHDXAUFMFFK-GFCCVEGCSA-N	-1	0	264.387	2.806	20	30		CFEDRM
C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCS(=O)(=O)[O-]	ZINC001224899734	775304156	/nfs/dbraw/zinc/30/41/56/775304156.db2.gz	QZUMHTHPAYKTTR-AGIUHOORSA-N	-1	0	276.398	2.662	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@H](C)Cc2ccco2)[nH]1	ZINC001225470099	775469103	/nfs/dbraw/zinc/46/91/03/775469103.db2.gz	QUFHSMVOCBRGQY-SNVBAGLBSA-N	-1	0	258.277	2.570	20	30		CFEDRM
C=CCC(CC=C)Oc1ccc(S(=O)(=O)[O-])cc1	ZINC001225512473	775485815	/nfs/dbraw/zinc/48/58/15/775485815.db2.gz	TWFTVKBFQPEUKD-UHFFFAOYSA-N	-1	0	268.334	2.833	20	30		CFEDRM
CCC[C@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1F	ZINC001225884089	775621899	/nfs/dbraw/zinc/62/18/99/775621899.db2.gz	FKEIWJONBFQDCN-CYBMUJFWSA-N	-1	0	286.306	2.921	20	30		CFEDRM
C=C(C)C[C@@H](Oc1[nH]c(=O)ncc1C(=O)OCC)C(=C)C	ZINC001225901867	775627693	/nfs/dbraw/zinc/62/76/93/775627693.db2.gz	WQAVIFMPOILDNW-GFCCVEGCSA-N	-1	0	292.335	2.649	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)c(F)cc1C#N	ZINC001226008153	775666150	/nfs/dbraw/zinc/66/61/50/775666150.db2.gz	FLAIXIXVHOKSFS-KCJUWKMLSA-N	-1	0	250.273	2.755	20	30		CFEDRM
Cc1ccc([C@@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cn1	ZINC001226008969	775666305	/nfs/dbraw/zinc/66/63/05/775666305.db2.gz	OWWXBDQGFJIYPA-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
C=CC[C@@H](Oc1nncc(=O)[n-]1)c1ccc(Cl)cc1	ZINC001226171192	775724416	/nfs/dbraw/zinc/72/44/16/775724416.db2.gz	YMMGRQFCIUWORH-LLVKDONJSA-N	-1	0	277.711	2.927	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C#N)c2ccccc2)c1C#N	ZINC001226221168	775740556	/nfs/dbraw/zinc/74/05/56/775740556.db2.gz	HWXJIIQEVJSAKS-ZDUSSCGKSA-N	-1	0	265.272	2.611	20	30		CFEDRM
C#C[C@@H](Oc1[n-]c(=O)cc(C)c1C#N)c1ccccc1	ZINC001226220952	775741260	/nfs/dbraw/zinc/74/12/60/775741260.db2.gz	CXDKNSYGUQNXEU-CQSZACIVSA-N	-1	0	264.284	2.721	20	30		CFEDRM
C=CC[C@H](C=C)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226346890	775786810	/nfs/dbraw/zinc/78/68/10/775786810.db2.gz	MXDXNXOMJRTOLJ-ZETCQYMHSA-N	-1	0	260.215	2.711	20	30		CFEDRM
C#C[C@@H](Oc1[nH]c(=O)nc2ccc(F)cc21)c1ccncc1	ZINC001226407550	775809021	/nfs/dbraw/zinc/80/90/21/775809021.db2.gz	UKTHVRLLGJSMHK-CQSZACIVSA-N	-1	0	295.273	2.623	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226554775	775871844	/nfs/dbraw/zinc/87/18/44/775871844.db2.gz	YANOGHAVTFUNLN-MRVPVSSYSA-N	-1	0	277.711	2.893	20	30		CFEDRM
C#C[C@H](CCCC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226786884	775964328	/nfs/dbraw/zinc/96/43/28/775964328.db2.gz	GCCVUAPLHHFYJZ-SECBINFHSA-N	-1	0	299.168	2.824	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc[n-]c(=O)c1Br	ZINC001226723603	775938846	/nfs/dbraw/zinc/93/88/46/775938846.db2.gz	YKXMSZITVAIHKZ-SSDOTTSWSA-N	-1	0	273.130	2.678	20	30		CFEDRM
C=C[C@H](CC)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227094462	776092511	/nfs/dbraw/zinc/09/25/11/776092511.db2.gz	BSMVXWWRRPTVDD-SECBINFHSA-N	-1	0	275.264	2.587	20	30		CFEDRM
C[C@@H](Oc1ccc(Cl)cc1C(=O)NO)C1=CC=C[CH]1	ZINC001227175803	776124287	/nfs/dbraw/zinc/12/42/87/776124287.db2.gz	BKWNSKZYDPNAAA-SECBINFHSA-N	-1	0	278.715	2.927	20	30		CFEDRM
N#C[C@H]1CC[C@@H](Oc2n[n-]c(=O)c(Cl)c2Cl)C1	ZINC001227603123	776239267	/nfs/dbraw/zinc/23/92/67/776239267.db2.gz	DKBMTSMNWZBRIW-NTSWFWBYSA-N	-1	0	274.107	2.560	20	30		CFEDRM
C#C[C@H](CCC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227602160	776239996	/nfs/dbraw/zinc/23/99/96/776239996.db2.gz	NSRUXIQHCZLHPW-ZCFIWIBFSA-N	-1	0	261.108	2.670	20	30		CFEDRM
CC#C[C@H](CC)Oc1n[n-]c(=O)c(Cl)c1Cl	ZINC001227605683	776241445	/nfs/dbraw/zinc/24/14/45/776241445.db2.gz	LQRHDJSVJLMGQL-LURJTMIESA-N	-1	0	261.108	2.670	20	30		CFEDRM
C#C[C@H](Oc1n[n-]c(=O)c(Cl)c1Cl)C(C)C	ZINC001227605892	776241506	/nfs/dbraw/zinc/24/15/06/776241506.db2.gz	ROCGNWXPNZXPLQ-LURJTMIESA-N	-1	0	261.108	2.526	20	30		CFEDRM
C=C[C@H](CCC)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-]	ZINC001227627194	776247469	/nfs/dbraw/zinc/24/74/69/776247469.db2.gz	DHBCFDSBCLPHLR-SSDOTTSWSA-N	-1	0	285.325	2.546	20	30		CFEDRM
C=CC[C@H](CCCC)Oc1nc(=O)[n-]c2c1COC2	ZINC001227686070	776255574	/nfs/dbraw/zinc/25/55/74/776255574.db2.gz	FORADAZWXSXELD-SNVBAGLBSA-N	-1	0	264.325	2.726	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227709834	776265605	/nfs/dbraw/zinc/26/56/05/776265605.db2.gz	HDCSOEYDCZWEHK-MNOVXSKESA-N	-1	0	276.336	2.734	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@@H]2C	ZINC001227716165	776269153	/nfs/dbraw/zinc/26/91/53/776269153.db2.gz	LSECSZDQQMYVQJ-ZJUUUORDSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C[C@@H](CC(C)(C)S)Oc1[n-]c(=O)nc2cc[nH]c21	ZINC001227809488	776298013	/nfs/dbraw/zinc/29/80/13/776298013.db2.gz	OPDFCEUYTWHGCZ-ZETCQYMHSA-N	-1	0	267.354	2.529	20	30		CFEDRM
C=CC[C@H](Oc1[n-]c(=O)nc2cccnc21)C(C)C	ZINC001228005061	776357813	/nfs/dbraw/zinc/35/78/13/776357813.db2.gz	OSGXZMHSRJNODM-NSHDSACASA-N	-1	0	259.309	2.710	20	30		CFEDRM
C[C@H](CC(C)(C)S)Oc1[n-]ncc(=O)c1Cl	ZINC001228391242	776478542	/nfs/dbraw/zinc/47/85/42/776478542.db2.gz	UEXYYUVKZXWYOQ-ZCFIWIBFSA-N	-1	0	262.762	2.701	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)ncc1Cl	ZINC001228483478	776504765	/nfs/dbraw/zinc/50/47/65/776504765.db2.gz	TXAHTDNFJSTNMV-VIFPVBQESA-N	-1	0	266.728	2.819	20	30		CFEDRM
N#Cc1ccc(=O)[n-]c1O[C@H]1CCOc2ccccc21	ZINC001228901363	776651623	/nfs/dbraw/zinc/65/16/23/776651623.db2.gz	LKBQIGHAMAJKNN-ZDUSSCGKSA-N	-1	0	268.272	2.561	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229136510	776728420	/nfs/dbraw/zinc/72/84/20/776728420.db2.gz	CFJMLUDZLHEZHV-NSHDSACASA-N	-1	0	286.331	2.915	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229139966	776731576	/nfs/dbraw/zinc/73/15/76/776731576.db2.gz	POVITHXDKNIKHC-SNVBAGLBSA-N	-1	0	272.304	2.854	20	30		CFEDRM
C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(Cl)[n-]c(=O)n2)O1	ZINC001230241745	776964127	/nfs/dbraw/zinc/96/41/27/776964127.db2.gz	NEHKFXWTCJUSJV-OQPBUACISA-N	-1	0	299.758	2.512	20	30		CFEDRM
C#C[C@H](Oc1nc(Cl)[n-]c(=O)n1)[C@H](CC)CCCC	ZINC001230242131	776964566	/nfs/dbraw/zinc/96/45/66/776964566.db2.gz	YYLJZAIUKLJZCE-ZJUUUORDSA-N	-1	0	283.759	2.828	20	30		CFEDRM
C#CC[C@@H](CC)Oc1[n-]c(=O)nc2cc(C)ccc21	ZINC001230888404	777083321	/nfs/dbraw/zinc/08/33/21/777083321.db2.gz	MFNYVBCDCGEMMB-LLVKDONJSA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=CC[C@@H](Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-])C(C)C	ZINC001231265115	777180975	/nfs/dbraw/zinc/18/09/75/777180975.db2.gz	YMWDWYFHSKXWTJ-LLVKDONJSA-N	-1	0	266.297	2.983	20	30		CFEDRM
CCCN(CCC#N)Cc1ccc(OC)c(C(=O)[O-])c1	ZINC001231752203	777324322	/nfs/dbraw/zinc/32/43/22/777324322.db2.gz	OFDRNIZMFRQONJ-UHFFFAOYSA-N	-1	0	276.336	2.519	20	30		CFEDRM
C=C[C@@H](C#CC(C)(C)C)Oc1[n-]c(=O)cc(C)c1C#N	ZINC001226224038	777482457	/nfs/dbraw/zinc/48/24/57/777482457.db2.gz	YVVNYYCHKSYUJT-LBPRGKRZSA-N	-1	0	270.332	2.950	20	30		CFEDRM
C#C[C@@H](CC(C)C)Oc1cc(=O)[n-]c(C(F)(F)F)n1	ZINC001226347283	777514561	/nfs/dbraw/zinc/51/45/61/777514561.db2.gz	QNFATNGMRHINEI-QMMMGPOBSA-N	-1	0	274.242	2.628	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1[n-]c(=O)nc2ccc(F)cc21	ZINC001226407152	777534571	/nfs/dbraw/zinc/53/45/71/777534571.db2.gz	LHVKHEOIYRQLLJ-SNVBAGLBSA-N	-1	0	260.268	2.984	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1	ZINC000126818540	777561138	/nfs/dbraw/zinc/56/11/38/777561138.db2.gz	CTRAAEQPOPWIQS-INIZCTEOSA-N	-1	0	292.338	2.634	20	30		CFEDRM
C#CCN(CC#C)Cc1ccc(Cl)c([O-])c1Cl	ZINC001232629157	777624584	/nfs/dbraw/zinc/62/45/84/777624584.db2.gz	MTMLFWRQZPHUEL-UHFFFAOYSA-N	-1	0	268.143	2.767	20	30		CFEDRM
N#C[C@@H]1CCN(Cc2cc(F)c([O-])c(Br)c2)C1	ZINC001232633055	777625705	/nfs/dbraw/zinc/62/57/05/777625705.db2.gz	CTJLLXDVWRJJAA-QMMMGPOBSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C=CC[N@@H+](C)Cc1cc(F)c([O-])c(Br)c1	ZINC001232633325	777626067	/nfs/dbraw/zinc/62/60/67/777626067.db2.gz	LALXSIDNSUCSNF-UHFFFAOYSA-N	-1	0	274.133	2.912	20	30		CFEDRM
N#CCC1CN(Cc2c([O-])cc(Br)cc2F)C1	ZINC001233026690	777769379	/nfs/dbraw/zinc/76/93/79/777769379.db2.gz	CTOPMEZLCFDPHG-UHFFFAOYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
C=C(C)C(=O)OCCNc1cc(F)ccc1[S-]	ZINC001168073816	777939736	/nfs/dbraw/zinc/93/97/36/777939736.db2.gz	PBLACUZBJRLNDP-UHFFFAOYSA-N	-1	0	255.314	2.646	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043969	778150463	/nfs/dbraw/zinc/15/04/63/778150463.db2.gz	HEVVDHKPBYQLJZ-ZWNOBZJWSA-N	-1	0	284.315	2.530	20	30		CFEDRM
C#CC[C@@H](CC)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234044428	778151144	/nfs/dbraw/zinc/15/11/44/778151144.db2.gz	JZJWCMHCSCRNGD-SNVBAGLBSA-N	-1	0	272.304	2.530	20	30		CFEDRM
C[C@H](Oc1ccccc1C#N)C(=O)[N-]OCc1ccccc1	ZINC000029855369	778228341	/nfs/dbraw/zinc/22/83/41/778228341.db2.gz	NWRQBDIZNYRVHR-ZDUSSCGKSA-N	-1	0	296.326	2.574	20	30		CFEDRM
C#C[C@H](CCCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234514468	778241396	/nfs/dbraw/zinc/24/13/96/778241396.db2.gz	WFWNYQQOXNHOCB-GFCCVEGCSA-N	-1	0	281.315	2.778	20	30		CFEDRM
C=C[C@H](CC)Oc1nc(C)[n-]c(=O)c1Br	ZINC001234571348	778255010	/nfs/dbraw/zinc/25/50/10/778255010.db2.gz	FHNCJFFRYXQXKS-SSDOTTSWSA-N	-1	0	273.130	2.597	20	30		CFEDRM
C#C[C@H](CC)Oc1cc([O-])cc2oc(C)cc(=O)c12	ZINC001234814806	778298541	/nfs/dbraw/zinc/29/85/41/778298541.db2.gz	RSGSGRQJLJVGSH-LLVKDONJSA-N	-1	0	258.273	2.598	20	30		CFEDRM
[O-]N=Cc1ccccc1OC[C@@H]1COc2ccccc2O1	ZINC001234822147	778303025	/nfs/dbraw/zinc/30/30/25/778303025.db2.gz	KXOOYKQMUNWGOF-CYBMUJFWSA-N	-1	0	285.299	2.714	20	30		CFEDRM
N#C[C@@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1	ZINC001234997992	778348992	/nfs/dbraw/zinc/34/89/92/778348992.db2.gz	GYVZALAXVIFXGE-MRXNPFEDSA-N	-1	0	294.354	2.784	20	30		CFEDRM
N#C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1	ZINC001235069854	778369760	/nfs/dbraw/zinc/36/97/60/778369760.db2.gz	XTNHXTUETLNQTM-MRVPVSSYSA-N	-1	0	299.143	2.639	20	30		CFEDRM
N=C(Nc1ccc2oc(=S)[n-]c2c1)c1nccs1	ZINC001168279261	778381625	/nfs/dbraw/zinc/38/16/25/778381625.db2.gz	LOUUPKLFYLAAII-UHFFFAOYSA-N	-1	0	276.346	2.610	20	30		CFEDRM
C=C(C)C(=O)Nc1ccc(F)c(Br)c1[O-]	ZINC001142516368	778398221	/nfs/dbraw/zinc/39/82/21/778398221.db2.gz	WGPTVLGTYSHJTM-UHFFFAOYSA-N	-1	0	274.089	2.808	20	30		CFEDRM
[O-]N=Cc1ccccc1-c1ccc(F)c(CO)c1F	ZINC001235897312	778597551	/nfs/dbraw/zinc/59/75/51/778597551.db2.gz	ZFINEKCZXYVDJO-UHFFFAOYSA-N	-1	0	263.243	2.932	20	30		CFEDRM
Cc1cc(C)c(C#N)c(-c2ccc(C(=O)[O-])cc2)n1	ZINC001236054766	778670436	/nfs/dbraw/zinc/67/04/36/778670436.db2.gz	UYAPVYALBUXCCI-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1cnc(-c2ccc(Cl)c(C(=O)[O-])c2F)cn1	ZINC001236144254	778716208	/nfs/dbraw/zinc/71/62/08/778716208.db2.gz	ROTMQOOBBMIBKR-UHFFFAOYSA-N	-1	0	277.642	2.506	20	30		CFEDRM
Cc1ccc(F)c(-c2nnc(C)c(C)c2C#N)c1[O-]	ZINC001236393166	778801031	/nfs/dbraw/zinc/80/10/31/778801031.db2.gz	PUKQRFYPJJUWMQ-UHFFFAOYSA-N	-1	0	257.268	2.785	20	30		CFEDRM
CCN(CCC#N)Cc1ccc(OC)c(Cl)c1[O-]	ZINC001236814028	778949927	/nfs/dbraw/zinc/94/99/27/778949927.db2.gz	STZPWOMXODXCOE-UHFFFAOYSA-N	-1	0	268.744	2.790	20	30		CFEDRM
N#C[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237538802	779129084	/nfs/dbraw/zinc/12/90/84/779129084.db2.gz	NKVBPUOLNNQXBY-QMMMGPOBSA-N	-1	0	286.162	2.830	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2nccs2)n1	ZINC001122491409	779253383	/nfs/dbraw/zinc/25/33/83/779253383.db2.gz	CDDVYDUCCJCZAR-XADBCAIWSA-N	-1	0	275.358	2.798	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)c([O-])cc2F)C1	ZINC001238153388	779261074	/nfs/dbraw/zinc/26/10/74/779261074.db2.gz	BQYZNCJQIMNMFO-CYBMUJFWSA-N	-1	0	268.719	2.920	20	30		CFEDRM
CCCN(CCC#N)Cc1ccc(F)cc1C(=O)[O-]	ZINC001238235019	779286744	/nfs/dbraw/zinc/28/67/44/779286744.db2.gz	GOFPMCSTYGVFNZ-UHFFFAOYSA-N	-1	0	264.300	2.650	20	30		CFEDRM
CCOc1ccc(C(=O)[O-])cc1Nc1cccnc1C#N	ZINC001214268549	779440364	/nfs/dbraw/zinc/44/03/64/779440364.db2.gz	KRMMCNOQKLQPTF-UHFFFAOYSA-N	-1	0	283.287	2.794	20	30		CFEDRM
N#CCc1cncc(-c2ccc(C(=O)[O-])cc2F)c1	ZINC001239262125	779489836	/nfs/dbraw/zinc/48/98/36/779489836.db2.gz	PFTQBTKEJHUPHN-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)cn12	ZINC001239352180	779531875	/nfs/dbraw/zinc/53/18/75/779531875.db2.gz	QLBILPBJYPJJNS-UHFFFAOYSA-N	-1	0	299.236	2.849	20	30		CFEDRM
N#Cc1ccc(-c2cccc(/C=C/C(=O)[O-])c2)nc1F	ZINC001240546132	780240381	/nfs/dbraw/zinc/24/03/81/780240381.db2.gz	CQTMFORJYZAMMP-QPJJXVBHSA-N	-1	0	268.247	2.857	20	30		CFEDRM
N#Cc1cc(-c2cccc(/C=C/C(=O)[O-])c2)ccn1	ZINC001240548744	780242466	/nfs/dbraw/zinc/24/24/66/780242466.db2.gz	RDEBKRSJDFFWKT-SNAWJCMRSA-N	-1	0	250.257	2.718	20	30		CFEDRM
COc1cc(-c2ncc(C)cc2C#N)ccc1C(=O)[O-]	ZINC001240741823	780407610	/nfs/dbraw/zinc/40/76/10/780407610.db2.gz	OYVKBLVDUIDRGH-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2[nH]ccc3ncc(C#N)c2-3)ccc1C(=O)[O-]	ZINC001240741916	780407878	/nfs/dbraw/zinc/40/78/78/780407878.db2.gz	XXGXTMITKXQISU-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(-c2ccc(C(=O)[O-])c(OC)c2)nc1CC#N	ZINC001240743434	780409050	/nfs/dbraw/zinc/40/90/50/780409050.db2.gz	MKUAPRGWFFCLOU-UHFFFAOYSA-N	-1	0	298.298	2.530	20	30		CFEDRM
N#Cc1ncnc2ccc(-c3ccc(C(=O)[O-])s3)cc12	ZINC001240846913	780473306	/nfs/dbraw/zinc/47/33/06/780473306.db2.gz	CCBUDDVWYLWODY-UHFFFAOYSA-N	-1	0	281.296	2.928	20	30		CFEDRM
Cc1cc(-c2ccc(CC(=O)[O-])cc2)nc(C)c1C#N	ZINC001240973802	780562662	/nfs/dbraw/zinc/56/26/62/780562662.db2.gz	CERAHCDWBORGOI-UHFFFAOYSA-N	-1	0	266.300	2.864	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(CC(=O)[O-])cc3)c1-2	ZINC001240973703	780562687	/nfs/dbraw/zinc/56/26/87/780562687.db2.gz	XNYLNVDKAHEARO-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#Cc1c[nH]c2nccc(-c3ccc(CC(=O)[O-])cc3)c12	ZINC001240975209	780563213	/nfs/dbraw/zinc/56/32/13/780563213.db2.gz	CVEXIXCTTQDKJV-UHFFFAOYSA-N	-1	0	277.283	2.680	20	30		CFEDRM
Cc1ccc(-c2ccc(CC(=O)[O-])cc2)c(C#N)n1	ZINC001240974240	780563650	/nfs/dbraw/zinc/56/36/50/780563650.db2.gz	WLFPMDIQRKMZAY-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1nccc(C#N)c1C	ZINC001240999292	780582743	/nfs/dbraw/zinc/58/27/43/780582743.db2.gz	KIZVBBIYMINVOB-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cncc(F)c1C#N	ZINC001241003042	780586786	/nfs/dbraw/zinc/58/67/86/780586786.db2.gz	QVCBPQOACDUFHV-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COC(=O)c1cc(-c2c(F)cc([O-])cc2F)ccc1C#N	ZINC001241121357	780649706	/nfs/dbraw/zinc/64/97/06/780649706.db2.gz	HXDWAUAHHXQWKO-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
N#Cc1ncc(-c2ccc(C(=O)[O-])c(F)c2)cc1F	ZINC001241185631	780689923	/nfs/dbraw/zinc/68/99/23/780689923.db2.gz	XEKPZPMNZGYFMK-UHFFFAOYSA-N	-1	0	260.199	2.597	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3ccc(C(=O)[O-])c(F)c3)cc12	ZINC001241186629	780691189	/nfs/dbraw/zinc/69/11/89/780691189.db2.gz	RFILHOQGVZAOGW-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000700567963	780701290	/nfs/dbraw/zinc/70/12/90/780701290.db2.gz	WWRPRJVVFKVEPK-VIFPVBQESA-N	-1	0	269.753	2.502	20	30		CFEDRM
N#CCOc1ccccc1-c1cccc(C(=O)[O-])c1	ZINC001241359161	780808985	/nfs/dbraw/zinc/80/89/85/780808985.db2.gz	WOQYCSMHHSSVRK-UHFFFAOYSA-N	-1	0	253.257	2.954	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C2=C(C(=O)[O-])CCCC2)C1	ZINC000703689779	781047508	/nfs/dbraw/zinc/04/75/08/781047508.db2.gz	YGINTLWKSVLYNK-GFCCVEGCSA-N	-1	0	277.364	2.756	20	30		CFEDRM
CCCCCCCNC(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000703744532	781054507	/nfs/dbraw/zinc/05/45/07/781054507.db2.gz	RURRLUISIAEKDL-ZDUSSCGKSA-N	-1	0	284.400	2.757	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cc(F)cc(C(=O)[O-])c1)CCC2	ZINC001241823130	781144648	/nfs/dbraw/zinc/14/46/48/781144648.db2.gz	DXUMVNKCQAWTGY-UHFFFAOYSA-N	-1	0	282.274	2.946	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3cc(F)cc(C(=O)[O-])c3)c1-2	ZINC001241824300	781145956	/nfs/dbraw/zinc/14/59/56/781145956.db2.gz	UCKALLLDCMRIHD-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
COC(=O)c1ccc(C#N)cc1-c1cc(F)cc(C(=O)[O-])c1	ZINC001241837015	781150140	/nfs/dbraw/zinc/15/01/40/781150140.db2.gz	KHUNCSWZHDNIFK-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
O=C([O-])c1cc(F)cc(-c2ccccc2C=NO)c1	ZINC001241836831	781150212	/nfs/dbraw/zinc/15/02/12/781150212.db2.gz	GHJLYROJBVVXAI-UHFFFAOYSA-N	-1	0	259.236	2.999	20	30		CFEDRM
N#Cc1cnnc(-c2cc(C(F)(F)F)ccc2[O-])c1	ZINC001242134247	781295307	/nfs/dbraw/zinc/29/53/07/781295307.db2.gz	VEXNQZYYABAMMJ-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
N#Cc1nccnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242148424	781300945	/nfs/dbraw/zinc/30/09/45/781300945.db2.gz	YAHLJFFMRRJPRF-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
COc1nc(-c2ccc([O-])c(C(F)(F)F)c2)ncc1C#N	ZINC001242151213	781303309	/nfs/dbraw/zinc/30/33/09/781303309.db2.gz	HRZNMZOMIPDFNT-UHFFFAOYSA-N	-1	0	295.220	2.748	20	30		CFEDRM
N#Cc1c(F)cccc1-c1cccc(CC(=O)[O-])c1	ZINC001242261850	781347163	/nfs/dbraw/zinc/34/71/63/781347163.db2.gz	FTOXTGNKNSBDQO-UHFFFAOYSA-N	-1	0	255.248	2.991	20	30		CFEDRM
N#Cc1cnc2ccc(-c3cccc(CC(=O)[O-])c3)cn12	ZINC001242264662	781349455	/nfs/dbraw/zinc/34/94/55/781349455.db2.gz	YCSHYSVQTMCMMO-UHFFFAOYSA-N	-1	0	277.283	2.500	20	30		CFEDRM
Cc1cc(-c2ccc(C(=O)[O-])nc2)ccc1CC#N	ZINC001242337013	781408255	/nfs/dbraw/zinc/40/82/55/781408255.db2.gz	UFQVJLWUTQJZCZ-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
N#Cc1c(-c2ccc(C(=O)[O-])nc2)ccc2ncccc12	ZINC001242337341	781408525	/nfs/dbraw/zinc/40/85/25/781408525.db2.gz	AEKULFUZBTXCOR-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc(F)c1[O-])CCOC2	ZINC001242350425	781422686	/nfs/dbraw/zinc/42/26/86/781422686.db2.gz	OQVHEGQOIHEVDF-UHFFFAOYSA-N	-1	0	270.263	2.538	20	30		CFEDRM
N#Cc1cc(-c2cccc(F)c2[O-])nc(C2CC2)n1	ZINC001242350962	781423399	/nfs/dbraw/zinc/42/33/99/781423399.db2.gz	MEWUDUPREPSWBZ-UHFFFAOYSA-N	-1	0	255.252	2.737	20	30		CFEDRM
COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2F)c(C#N)c1	ZINC001242380900	781450106	/nfs/dbraw/zinc/45/01/06/781450106.db2.gz	XLBMVOQBUUXWSY-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1[nH]ccc2ncc(C#N)c1-2	ZINC001242387950	781457695	/nfs/dbraw/zinc/45/76/95/781457695.db2.gz	CYBKVQLNRKMSKQ-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)c(C)n1	ZINC001242389956	781459496	/nfs/dbraw/zinc/45/94/96/781459496.db2.gz	PWTBUWDCMJSNFK-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
CCCNc1cc(C)nc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242561998	781599967	/nfs/dbraw/zinc/59/99/67/781599967.db2.gz	FTKPCXDUFUGVRE-UHFFFAOYSA-N	-1	0	268.320	2.851	20	30		CFEDRM
CCCOc1ccnc(-c2ccc([O-])c(C#N)c2)n1	ZINC001242562647	781601356	/nfs/dbraw/zinc/60/13/56/781601356.db2.gz	FCJIETSYHISZLU-UHFFFAOYSA-N	-1	0	255.277	2.510	20	30		CFEDRM
N#Cc1cc(-c2nc[n-]c3nc(=S)sc2-3)ccc1O	ZINC001242564400	781603559	/nfs/dbraw/zinc/60/35/59/781603559.db2.gz	XVDFHNGELYGLHF-UHFFFAOYSA-N	-1	0	286.341	2.619	20	30		CFEDRM
COc1cc(-c2ccc([O-])c(C#N)c2)cc(F)c1C#N	ZINC001242566341	781606579	/nfs/dbraw/zinc/60/65/79/781606579.db2.gz	UQXVNFDMPSKZLA-UHFFFAOYSA-N	-1	0	268.247	2.950	20	30		CFEDRM
CCc1nc(C#N)cc(-c2cccc([O-])c2Cl)n1	ZINC001242799488	781765344	/nfs/dbraw/zinc/76/53/44/781765344.db2.gz	NRPVDRIPRFLDER-UHFFFAOYSA-N	-1	0	259.696	2.937	20	30		CFEDRM
N#Cc1cc2c(nc1-c1cccc([S-])c1)CCOC2	ZINC001242864378	781808837	/nfs/dbraw/zinc/80/88/37/781808837.db2.gz	JVQLJVJLPZJTJQ-UHFFFAOYSA-N	-1	0	268.341	2.982	20	30		CFEDRM
O=C([O-])c1ccccc1-c1ccc(/C=N/O)c(F)c1	ZINC001242880329	781820447	/nfs/dbraw/zinc/82/04/47/781820447.db2.gz	BUHGTYMOUPXJTI-LZYBPNLTSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1ccc(CC#N)c(C)n1	ZINC001242920873	781842059	/nfs/dbraw/zinc/84/20/59/781842059.db2.gz	IEIBFDDFMXGNBF-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
Cc1ccnc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N	ZINC000594541698	349444209	/nfs/dbraw/zinc/44/42/09/349444209.db2.gz	XENFCHZQOHFOMZ-KGYLQXTDSA-N	-1	0	287.363	2.809	20	30		CFEDRM
Cc1coc(-c2ccc(N3CC(C(=O)[O-])C3)c(C#N)c2)c1	ZINC000594874470	349491545	/nfs/dbraw/zinc/49/15/45/349491545.db2.gz	QHKFFFXECLEONA-UHFFFAOYSA-N	-1	0	282.299	2.648	20	30		CFEDRM
N#CC1(CC(=O)NC2CCC(C(=O)[O-])CC2)CCCCC1	ZINC000595281413	349589816	/nfs/dbraw/zinc/58/98/16/349589816.db2.gz	LAUGSHWPYQEPIJ-UHFFFAOYSA-N	-1	0	292.379	2.610	20	30		CFEDRM
CC(C)[C@H](CNc1cccc(-n2cccn2)c1C#N)C(=O)[O-]	ZINC000595970681	349772865	/nfs/dbraw/zinc/77/28/65/349772865.db2.gz	ZRIFOHVDCXZVEH-ZDUSSCGKSA-N	-1	0	298.346	2.513	20	30		CFEDRM
CCCN(CC(=O)[O-])c1cccc(C(F)F)c1C#N	ZINC000595965810	349772933	/nfs/dbraw/zinc/77/29/33/349772933.db2.gz	KQDIGLSAJLXXCW-UHFFFAOYSA-N	-1	0	268.263	2.797	20	30		CFEDRM
CC(C)(CCNc1cccc(-n2cccn2)c1C#N)C(=O)[O-]	ZINC000595967676	349773050	/nfs/dbraw/zinc/77/30/50/349773050.db2.gz	ATDVCGLLMYCDPY-UHFFFAOYSA-N	-1	0	298.346	2.657	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000130123964	539497353	/nfs/dbraw/zinc/49/73/53/539497353.db2.gz	XMXPUNLVZUYPAK-UHFFFAOYSA-N	-1	0	299.330	2.737	20	30		CFEDRM
CCc1ncncc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000054736726	346575470	/nfs/dbraw/zinc/57/54/70/346575470.db2.gz	BCJQTGMTICGWNQ-SNVBAGLBSA-N	-1	0	292.298	2.670	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](CC(=O)[O-])C2)cc1Cl	ZINC000061845435	346685254	/nfs/dbraw/zinc/68/52/54/346685254.db2.gz	IAHJCSLACASVHI-SNVBAGLBSA-N	-1	0	278.739	2.903	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)s1	ZINC000077940413	347220675	/nfs/dbraw/zinc/22/06/75/347220675.db2.gz	DHSMWTJXAGWDSD-UHFFFAOYSA-N	-1	0	271.363	2.668	20	30		CFEDRM
C=CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000089285146	347515071	/nfs/dbraw/zinc/51/50/71/347515071.db2.gz	ZFVQAEBJPKIGBO-BDAKNGLRSA-N	-1	0	299.314	2.827	20	30		CFEDRM
CC[C@H](C(=O)[O-])N(C)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000163852655	348035004	/nfs/dbraw/zinc/03/50/04/348035004.db2.gz	WHMKHFWQQLYMRB-LLVKDONJSA-N	-1	0	286.253	2.876	20	30		CFEDRM
C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1C(=O)[O-]	ZINC000311586718	348413966	/nfs/dbraw/zinc/41/39/66/348413966.db2.gz	WNZPVNSWTXCRHF-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#CCc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1	ZINC000346019393	348460898	/nfs/dbraw/zinc/46/08/98/348460898.db2.gz	RSLQNNXZNBGMFQ-UHFFFAOYSA-N	-1	0	298.273	2.842	20	30		CFEDRM
N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccncn1	ZINC000354468886	348501296	/nfs/dbraw/zinc/50/12/96/348501296.db2.gz	QFEXQBVTUYJJJO-VIFPVBQESA-N	-1	0	296.311	2.683	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1c([O-])cc(F)cc1F	ZINC000588782949	348796229	/nfs/dbraw/zinc/79/62/29/348796229.db2.gz	FJEOYGYDTKQKMA-UHFFFAOYSA-N	-1	0	282.290	2.730	20	30		CFEDRM
CCCc1nc(=N[C@@H]2CCc3cc(C#N)ccc32)s[n-]1	ZINC000589692092	348851408	/nfs/dbraw/zinc/85/14/08/348851408.db2.gz	SNGRJXRHQXBMMU-CYBMUJFWSA-N	-1	0	284.388	2.884	20	30		CFEDRM
N#CC1(CC(=O)Nc2cc(F)cc(Cl)c2[O-])CC1	ZINC000590330428	348894753	/nfs/dbraw/zinc/89/47/53/348894753.db2.gz	GLNCXAQXKRPKAP-UHFFFAOYSA-N	-1	0	268.675	2.817	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)NC[C@@H]2CCCCC2(F)F)c1	ZINC000590767432	348945384	/nfs/dbraw/zinc/94/53/84/348945384.db2.gz	KCGQUEBSOXSCHA-LBPRGKRZSA-N	-1	0	294.301	2.819	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N2CCC[C@@H](C(=O)[O-])C2)n1	ZINC000591325297	349009192	/nfs/dbraw/zinc/00/91/92/349009192.db2.gz	NUKZNKZZZGNJAK-GFCCVEGCSA-N	-1	0	287.363	2.552	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@@H]2CCCc3cc(C#N)ccc32)o1	ZINC000591370730	349013312	/nfs/dbraw/zinc/01/33/12/349013312.db2.gz	JUHWCAMQUPSPDV-CQSZACIVSA-N	-1	0	282.347	2.976	20	30		CFEDRM
CC[C@@H](C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000593613670	349298888	/nfs/dbraw/zinc/29/88/88/349298888.db2.gz	OVPOUSQPIIZHJA-LURJTMIESA-N	-1	0	256.664	2.673	20	30		CFEDRM
CC[C@@H](C#N)C(=O)Nc1cc(Cl)c([O-])cc1F	ZINC000593707782	349312972	/nfs/dbraw/zinc/31/29/72/349312972.db2.gz	QNIJCCLLKASUDT-LURJTMIESA-N	-1	0	256.664	2.673	20	30		CFEDRM
Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCCCC#N	ZINC000594353958	349409502	/nfs/dbraw/zinc/40/95/02/349409502.db2.gz	OOEJOQMYEWMGNY-UHFFFAOYSA-N	-1	0	299.334	2.508	20	30		CFEDRM
N#CCCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000594336677	349408362	/nfs/dbraw/zinc/40/83/62/349408362.db2.gz	SYTYUUSGOPXLNG-UHFFFAOYSA-N	-1	0	297.698	2.976	20	30		CFEDRM
CC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC=CC1	ZINC000594475937	349427765	/nfs/dbraw/zinc/42/77/65/349427765.db2.gz	ZOJWJRHAJBBAAF-UHFFFAOYSA-N	-1	0	296.779	2.599	20	30		CFEDRM
N#CC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1	ZINC000597906444	350154472	/nfs/dbraw/zinc/15/44/72/350154472.db2.gz	OFRHDAVANIAPAX-SECBINFHSA-N	-1	0	296.729	2.951	20	30		CFEDRM
CC(C)Cc1nc(=NC(=O)C2(C#N)CCCCC2)s[n-]1	ZINC000598771634	350327434	/nfs/dbraw/zinc/32/74/34/350327434.db2.gz	YZTBAURSRYUGNQ-UHFFFAOYSA-N	-1	0	292.408	2.571	20	30		CFEDRM
CCCC[C@H](Sc1ccc(C#N)nc1)C(=O)[O-]	ZINC000600674709	350595093	/nfs/dbraw/zinc/59/50/93/350595093.db2.gz	GNLNIMGGNOHJDU-NSHDSACASA-N	-1	0	250.323	2.689	20	30		CFEDRM
C=C(C)C[C@H](N=c1[n-]c(C2CCCC2)ns1)C(=O)OC	ZINC000601226277	350702822	/nfs/dbraw/zinc/70/28/22/350702822.db2.gz	DRNVXVNQJXOQMT-NSHDSACASA-N	-1	0	295.408	2.537	20	30		CFEDRM
CC(C)(CCC(=O)[O-])Nc1ccc(F)cc1C#N	ZINC000111026108	186346125	/nfs/dbraw/zinc/34/61/25/186346125.db2.gz	YKHGEWZBOHIUDJ-UHFFFAOYSA-N	-1	0	250.273	2.753	20	30		CFEDRM
Cc1[n-]n([C@H]2CCc3c2cccc3F)c(=O)c1CCC#N	ZINC000601948984	350816021	/nfs/dbraw/zinc/81/60/21/350816021.db2.gz	IEKPVWJZKAIOGK-ABAIWWIYSA-N	-1	0	285.322	2.951	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)c(Cl)c2)c(=O)c1CCC#N	ZINC000601949480	350816035	/nfs/dbraw/zinc/81/60/35/350816035.db2.gz	PZXBDPBVNUJMTR-LBPRGKRZSA-N	-1	0	286.722	2.854	20	30		CFEDRM
C=CCC1(CNC(=O)[C@H](C)S[C@H](C)C(=O)[O-])CCCC1	ZINC000601990762	350824744	/nfs/dbraw/zinc/82/47/44/350824744.db2.gz	FYSBIPKQUMCRFZ-NWDGAFQWSA-N	-1	0	299.436	2.834	20	30		CFEDRM
CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCC[C@@H]1C#N	ZINC000601816910	350784010	/nfs/dbraw/zinc/78/40/10/350784010.db2.gz	HWIPCODTFPDDSJ-PELKAZGASA-N	-1	0	296.729	2.949	20	30		CFEDRM
CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@H]1C#N	ZINC000601824182	350786927	/nfs/dbraw/zinc/78/69/27/350786927.db2.gz	UKUSIKXGCMSYMC-CMPLNLGQSA-N	-1	0	278.739	2.810	20	30		CFEDRM
CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000601824187	350787117	/nfs/dbraw/zinc/78/71/17/350787117.db2.gz	UKUSIKXGCMSYMC-ZYHUDNBSSA-N	-1	0	278.739	2.810	20	30		CFEDRM
C[C@H](CC(=O)[O-])CC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000601985664	350823074	/nfs/dbraw/zinc/82/30/74/350823074.db2.gz	BUBKCTVMZIRPIS-GXTWGEPZSA-N	-1	0	288.347	2.649	20	30		CFEDRM
CC[C@H](C)c1cc(=O)n(Cc2cccc(C#N)c2)[n-]1	ZINC000601945928	350813380	/nfs/dbraw/zinc/81/33/80/350813380.db2.gz	VXWOEMJUMHDPNX-NSHDSACASA-N	-1	0	255.321	2.693	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(F)c(F)c2)c(=O)c1CCC#N	ZINC000603921301	351192277	/nfs/dbraw/zinc/19/22/77/351192277.db2.gz	PUNJHTLSPRFLSH-NSHDSACASA-N	-1	0	277.274	2.603	20	30		CFEDRM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CCC#N	ZINC000603923906	351192327	/nfs/dbraw/zinc/19/23/27/351192327.db2.gz	QKMCPBXIKNDKDI-SNVBAGLBSA-N	-1	0	284.344	2.939	20	30		CFEDRM
Cc1[n-]n(Cc2ccc(C)cc2)c(=O)c1CCC#N	ZINC000603921241	351191917	/nfs/dbraw/zinc/19/19/17/351191917.db2.gz	NBGMCGMQFHZPSD-AWEZNQCLSA-N	-1	0	255.321	2.633	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000610055971	351532432	/nfs/dbraw/zinc/53/24/32/351532432.db2.gz	CGVAFDFTVHPZTN-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
C[C@@H](C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N)C1CCCC1	ZINC000610550561	351581090	/nfs/dbraw/zinc/58/10/90/351581090.db2.gz	VLOSPEFWMWWGQS-LLVKDONJSA-N	-1	0	288.395	2.696	20	30		CFEDRM
N#Cc1ccsc1C(=O)Nc1c([O-])cccc1F	ZINC000611218359	351652334	/nfs/dbraw/zinc/65/23/34/351652334.db2.gz	CGXUNHZHOPKXSA-UHFFFAOYSA-N	-1	0	262.265	2.717	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nc(CCC)cs1	ZINC000291885662	198096063	/nfs/dbraw/zinc/09/60/63/198096063.db2.gz	NOQOINLHFJXFJE-UHFFFAOYSA-N	-1	0	274.411	2.804	20	30		CFEDRM
Cc1c(F)cccc1NC(=O)c1cc(O)cc(C#N)c1	ZINC000614370598	352086207	/nfs/dbraw/zinc/08/62/07/352086207.db2.gz	RUVZLMPIDYEMMF-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C=CCCNC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000617611456	352603335	/nfs/dbraw/zinc/60/33/35/352603335.db2.gz	ZFIBRXQPKOWDNM-UHFFFAOYSA-N	-1	0	259.227	2.717	20	30		CFEDRM
C=CCCNC(=O)c1ccc(C(F)(F)F)cc1O	ZINC000617617188	352605848	/nfs/dbraw/zinc/60/58/48/352605848.db2.gz	ZMBFFVAMNJBGQI-UHFFFAOYSA-N	-1	0	259.227	2.717	20	30		CFEDRM
CO[C@@H](C)c1nc(=N[C@H](C)c2cccc(C#N)c2)s[n-]1	ZINC000619745008	353062757	/nfs/dbraw/zinc/06/27/57/353062757.db2.gz	ZNXFPUYMPGBJGJ-ZJUUUORDSA-N	-1	0	288.376	2.712	20	30		CFEDRM
CC(C)Oc1ccc(C#N)cc1NC(=O)NOCC1CC1	ZINC000292546633	198328062	/nfs/dbraw/zinc/32/80/62/198328062.db2.gz	GVCNANLGJHQDRQ-UHFFFAOYSA-N	-1	0	289.335	2.809	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1	ZINC000621611356	353384087	/nfs/dbraw/zinc/38/40/87/353384087.db2.gz	AWGQQMYZRROGON-DTWKUNHWSA-N	-1	0	282.365	2.621	20	30		CFEDRM
C=C(C)COCCN=c1nc(-c2ccccc2C)[n-]s1	ZINC000624038837	353791024	/nfs/dbraw/zinc/79/10/24/353791024.db2.gz	SIQHQGXZRPKJEX-UHFFFAOYSA-N	-1	0	289.404	2.940	20	30		CFEDRM
CCc1nocc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000626344294	354253323	/nfs/dbraw/zinc/25/33/23/354253323.db2.gz	LMHTZBBOISNYGQ-SNVBAGLBSA-N	-1	0	294.314	2.912	20	30		CFEDRM
CCc1nocc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1	ZINC000626344293	354253525	/nfs/dbraw/zinc/25/35/25/354253525.db2.gz	LMHTZBBOISNYGQ-JTQLQIEISA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)c1cc(C(=O)[O-])cnc1C	ZINC000630182408	355024686	/nfs/dbraw/zinc/02/46/86/355024686.db2.gz	SUMXZWVKXUOMOU-JTQLQIEISA-N	-1	0	276.336	2.563	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)C[C@@H](C)CC(=O)[O-]	ZINC000630313508	355048761	/nfs/dbraw/zinc/04/87/61/355048761.db2.gz	JEXJWMSUPJZDRC-LLVKDONJSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccc(CC)cc1)C(=O)[O-]	ZINC000630318972	355049440	/nfs/dbraw/zinc/04/94/40/355049440.db2.gz	PINSOAHXUUTYAW-OAHLLOKOSA-N	-1	0	289.375	2.717	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1cc(SC)ccc1C)C(=O)[O-]	ZINC000630319386	355049952	/nfs/dbraw/zinc/04/99/52/355049952.db2.gz	ZKKKALLSXUZBCA-CYBMUJFWSA-N	-1	0	293.388	2.866	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000630319457	355050015	/nfs/dbraw/zinc/05/00/15/355050015.db2.gz	AZJKIEYXHMSGDY-LBPRGKRZSA-N	-1	0	299.729	2.557	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)C(CC)CC)C(=O)[O-]	ZINC000630319737	355050203	/nfs/dbraw/zinc/05/02/03/355050203.db2.gz	GXKQAWIPVLULQH-ZYHUDNBSSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(CC)c(CC)o1)C(=O)[O-]	ZINC000630319469	355050246	/nfs/dbraw/zinc/05/02/46/355050246.db2.gz	BDOXKAPOGIELMA-NSHDSACASA-N	-1	0	279.336	2.554	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@@H](CC(=C)C)C(=O)[O-])c1ccccc1	ZINC000630320299	355050757	/nfs/dbraw/zinc/05/07/57/355050757.db2.gz	SLZYKTREUYUBCG-ZFWWWQNUSA-N	-1	0	287.359	2.882	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000630320523	355050777	/nfs/dbraw/zinc/05/07/77/355050777.db2.gz	YTEJYCHCVNIWFI-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1sccc1C)C(=O)[O-]	ZINC000630320485	355050788	/nfs/dbraw/zinc/05/07/88/355050788.db2.gz	XIPZDWDEIYUIPO-WOPDTQHZSA-N	-1	0	293.388	2.696	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)[O-]	ZINC000630321442	355050796	/nfs/dbraw/zinc/05/07/96/355050796.db2.gz	JGHQUSDTXACGOB-CYBMUJFWSA-N	-1	0	290.363	2.528	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H](CCC)c1ccccn1)C(=O)[O-]	ZINC000630322067	355051038	/nfs/dbraw/zinc/05/10/38/355051038.db2.gz	OXLXLTAECDOOEN-OCCSQVGLSA-N	-1	0	290.363	2.501	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)c1ccsc1Cl)C(=O)[O-]	ZINC000630322217	355051579	/nfs/dbraw/zinc/05/15/79/355051579.db2.gz	RDEGTEGVOZMVJS-MRVPVSSYSA-N	-1	0	273.741	2.551	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000630322904	355051712	/nfs/dbraw/zinc/05/17/12/355051712.db2.gz	XQOGHLXPNQMOFE-GWCFXTLKSA-N	-1	0	295.766	2.979	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H](C)Cc1cccc(F)c1)C(=O)[O-]	ZINC000630324485	355051718	/nfs/dbraw/zinc/05/17/18/355051718.db2.gz	FBLKZKHDCUQYIN-BXUZGUMPSA-N	-1	0	293.338	2.540	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000630325796	355052264	/nfs/dbraw/zinc/05/22/64/355052264.db2.gz	LUPNSIRBWNWDKV-WCQYABFASA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000630326427	355052540	/nfs/dbraw/zinc/05/25/40/355052540.db2.gz	PYFKKABWMLCFNE-CYBMUJFWSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-]	ZINC000630544040	355107517	/nfs/dbraw/zinc/10/75/17/355107517.db2.gz	FJJAWOZHIHKAKM-AWEZNQCLSA-N	-1	0	288.347	2.716	20	30		CFEDRM
C=CCCC1(CNC(=O)N(C)[C@@H](C)C(=O)[O-])CCCC1	ZINC000630481911	355092815	/nfs/dbraw/zinc/09/28/15/355092815.db2.gz	VQUFAIDYDGYDSW-LBPRGKRZSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000630482479	355092820	/nfs/dbraw/zinc/09/28/20/355092820.db2.gz	FIGKLYZZSMDHQC-CYBMUJFWSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000630494449	355095035	/nfs/dbraw/zinc/09/50/35/355095035.db2.gz	IAKFEKYIPOYVLB-UHFFFAOYSA-N	-1	0	294.395	2.770	20	30		CFEDRM
C=CCOc1cccc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)c1	ZINC000630959389	355230442	/nfs/dbraw/zinc/23/04/42/355230442.db2.gz	GWBZCRWOSJPJJQ-SMDDNHRTSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CCOc1ccccc1CN=c1[n-]nc([C@H]2C[C@@H]2C)o1	ZINC000630960381	355231161	/nfs/dbraw/zinc/23/11/61/355231161.db2.gz	OUNMIIQZBGJXHS-AAEUAGOBSA-N	-1	0	285.347	2.792	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N1CCC(CCC(=O)[O-])CC1	ZINC000393735080	541019169	/nfs/dbraw/zinc/01/91/69/541019169.db2.gz	IHCZZSQDGSUJKJ-ZDUSSCGKSA-N	-1	0	282.384	2.628	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C(=O)[O-])c1	ZINC000666564076	541110254	/nfs/dbraw/zinc/11/02/54/541110254.db2.gz	RYGZNYZTOZANBQ-CQSZACIVSA-N	-1	0	288.347	2.635	20	30		CFEDRM
COC(OC)c1c(C#N)ccnc1-c1ccc(F)c([O-])c1	ZINC001243046726	781950608	/nfs/dbraw/zinc/95/06/08/781950608.db2.gz	HLKDPWXIJGANKP-UHFFFAOYSA-N	-1	0	288.278	2.756	20	30		CFEDRM
C=C(C)CN(C)C(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000135286310	541241989	/nfs/dbraw/zinc/24/19/89/541241989.db2.gz	SBZADCXCZZLJDV-UHFFFAOYSA-N	-1	0	267.369	2.836	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F	ZINC000427123986	239285851	/nfs/dbraw/zinc/28/58/51/239285851.db2.gz	MOVRQLLIHMHEKJ-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
COCc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1	ZINC000435336280	240303127	/nfs/dbraw/zinc/30/31/27/240303127.db2.gz	NSOOOIKFSQSYAC-XFFZJAGNSA-N	-1	0	295.342	2.657	20	30		CFEDRM
Cc1cc(CSc2n[n-]c(=N)n2C(C)C)ccc1C#N	ZINC000447286230	241362736	/nfs/dbraw/zinc/36/27/36/241362736.db2.gz	RTOMNYFCXNEIBP-UHFFFAOYSA-N	-1	0	287.392	2.744	20	30		CFEDRM
CCSc1n[n-]c(=NCc2cccc(C#N)c2)s1	ZINC000447950197	241436816	/nfs/dbraw/zinc/43/68/16/241436816.db2.gz	GNUICUWVVJFYKC-UHFFFAOYSA-N	-1	0	276.390	2.556	20	30		CFEDRM
CC(C)c1n[n-]c(=N[C@H](C)c2ccc(C#N)cc2)o1	ZINC000450249847	242323905	/nfs/dbraw/zinc/32/39/05/242323905.db2.gz	DBYQMXKFURCHSD-SNVBAGLBSA-N	-1	0	256.309	2.660	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cccc(C(=O)[O-])c1C	ZINC000675966991	541712817	/nfs/dbraw/zinc/71/28/17/541712817.db2.gz	XFRGQSMGILJRFL-UHFFFAOYSA-N	-1	0	277.320	2.615	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000676003453	541717078	/nfs/dbraw/zinc/71/70/78/541717078.db2.gz	QEYYYHRJRQGNRE-UHFFFAOYSA-N	-1	0	297.738	2.960	20	30		CFEDRM
N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1	ZINC000019471940	372166268	/nfs/dbraw/zinc/16/62/68/372166268.db2.gz	MBTPOGQMBJMVNN-UHFFFAOYSA-N	-1	0	294.282	2.637	20	30		CFEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccsc1	ZINC000049514072	373305522	/nfs/dbraw/zinc/30/55/22/373305522.db2.gz	VOYIZYDRNNXYGV-UHFFFAOYSA-N	-1	0	287.406	2.963	20	30		CFEDRM
O=C(Cc1ccsc1)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513836	373307044	/nfs/dbraw/zinc/30/70/44/373307044.db2.gz	BTFDCWVHNFZVPX-UHFFFAOYSA-N	-1	0	287.406	2.910	20	30		CFEDRM
C[C@H]1C[C@@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(C)(C)C1	ZINC000067150938	373971681	/nfs/dbraw/zinc/97/16/81/373971681.db2.gz	ZWAPRNBOLNTQRK-QWRGUYRKSA-N	-1	0	299.378	2.944	20	30		CFEDRM
CC(C)[C@H](Nc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000068769376	374038696	/nfs/dbraw/zinc/03/86/96/374038696.db2.gz	QFFCWSSYHUQJDZ-AWEZNQCLSA-N	-1	0	269.304	2.628	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21	ZINC000678980066	542105232	/nfs/dbraw/zinc/10/52/32/542105232.db2.gz	YXTLVYSZDFPASQ-SFHVURJKSA-N	-1	0	299.370	2.797	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@H]2CC[C@@H]3CCCC[C@@H]3C2)[n-]c1C#N	ZINC000130019823	377501814	/nfs/dbraw/zinc/50/18/14/377501814.db2.gz	UZQIJEHHKJTNRO-TUAOUCFPSA-N	-1	0	297.362	2.698	20	30		CFEDRM
C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000132041177	377793364	/nfs/dbraw/zinc/79/33/64/377793364.db2.gz	CFWKJMRSKOPKTL-MWLCHTKSSA-N	-1	0	298.795	2.679	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)c(F)c1	ZINC000152724944	378440840	/nfs/dbraw/zinc/44/08/40/378440840.db2.gz	IHUOXRLFRBFZFY-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
CCSc1n[n-]c(=NC(=O)N[C@@H]2C=CCCC2)s1	ZINC000329852672	378505114	/nfs/dbraw/zinc/50/51/14/378505114.db2.gz	UYNMKKJVIXLSEM-MRVPVSSYSA-N	-1	0	284.410	2.507	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NCC1(C(=O)[O-])CCOCC1	ZINC000165970688	379046385	/nfs/dbraw/zinc/04/63/85/379046385.db2.gz	KWBNURZGWKRDNY-UHFFFAOYSA-N	-1	0	294.738	2.505	20	30		CFEDRM
Cc1ccsc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000335328410	379098106	/nfs/dbraw/zinc/09/81/06/379098106.db2.gz	CBJAXQQHKLIRMZ-UHFFFAOYSA-N	-1	0	292.385	2.923	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(O)c2F)s1	ZINC000334337804	379118528	/nfs/dbraw/zinc/11/85/28/379118528.db2.gz	WTSPODKZUOKZGH-UHFFFAOYSA-N	-1	0	262.265	2.717	20	30		CFEDRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000334339874	379119556	/nfs/dbraw/zinc/11/95/56/379119556.db2.gz	GWVKIIWJQZKVJT-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
C=CC[C@@H]1N(C(=O)N=c2[n-]ncs2)CCCC1(C)C	ZINC000335443628	379306794	/nfs/dbraw/zinc/30/67/94/379306794.db2.gz	WWMLJLNAKSPMAU-JTQLQIEISA-N	-1	0	280.397	2.559	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC3CCC2CC3)[n-]1	ZINC000334514531	379432938	/nfs/dbraw/zinc/43/29/38/379432938.db2.gz	ZGNISVSWEZWBGL-YIZWMMSDSA-N	-1	0	286.379	2.522	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC[C@@H]2C)[n-]1	ZINC000335605435	379592418	/nfs/dbraw/zinc/59/24/18/379592418.db2.gz	RFXKXXFNYBVWKA-WCQYABFASA-N	-1	0	274.368	2.522	20	30		CFEDRM
CC(C)(NC(=O)c1ccc(C#N)c(O)c1)C1CCC1	ZINC000334767648	379911784	/nfs/dbraw/zinc/91/17/84/379911784.db2.gz	HHPIPRPKMSGVKF-UHFFFAOYSA-N	-1	0	258.321	2.572	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000335185829	379992590	/nfs/dbraw/zinc/99/25/90/379992590.db2.gz	RAWDEKLQCTYWRF-CYBMUJFWSA-N	-1	0	297.358	2.759	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)Nc1cc2[nH]ccc2cc1C	ZINC000335203465	380001862	/nfs/dbraw/zinc/00/18/62/380001862.db2.gz	PGHRNGALSGOHQV-LLVKDONJSA-N	-1	0	277.349	2.520	20	30		CFEDRM
CCCCCC[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000175295527	380040401	/nfs/dbraw/zinc/04/04/01/380040401.db2.gz	JLQSTFWOWXPPPH-SNVBAGLBSA-N	-1	0	273.340	2.698	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)o1	ZINC000336513532	380391514	/nfs/dbraw/zinc/39/15/14/380391514.db2.gz	TVSIZNIAKBBSPD-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
N#CC1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1	ZINC000180464568	380664545	/nfs/dbraw/zinc/66/45/45/380664545.db2.gz	KJAZFVWWCKQCJU-UHFFFAOYSA-N	-1	0	298.264	2.787	20	30		CFEDRM
Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1C#N	ZINC000181147320	380747858	/nfs/dbraw/zinc/74/78/58/380747858.db2.gz	UYQDYSYKSPYTOY-UHFFFAOYSA-N	-1	0	272.329	2.668	20	30		CFEDRM
C=CCCS(=O)(=O)[N-]c1cnoc1-c1ccccc1	ZINC000182485926	381096269	/nfs/dbraw/zinc/09/62/69/381096269.db2.gz	TZPKNFOBJPTRID-UHFFFAOYSA-N	-1	0	278.333	2.659	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000182646127	381128766	/nfs/dbraw/zinc/12/87/66/381128766.db2.gz	KPVZDMNLPDJHEP-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2ccn(C(C)C)n2)s1	ZINC000342070022	381209060	/nfs/dbraw/zinc/20/90/60/381209060.db2.gz	IGGCVNPYOMJDCZ-UHFFFAOYSA-N	-1	0	295.437	2.628	20	30		CFEDRM
N#CC(=C([O-])c1cc2ccccc2o1)c1ccncn1	ZINC000354469475	381291764	/nfs/dbraw/zinc/29/17/64/381291764.db2.gz	QZNHQEFHACHSQL-NSHDSACASA-N	-1	0	263.256	2.713	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)c1c([O-])cccc1F	ZINC000185768823	381727922	/nfs/dbraw/zinc/72/79/22/381727922.db2.gz	NFDMCZIPNRMPGR-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
C[C@@H](Oc1ccc(/C=C/c2ccncc2C#N)cc1)C(=O)[O-]	ZINC000349104423	381824253	/nfs/dbraw/zinc/82/42/53/381824253.db2.gz	DQQXEFAEVSQDLA-ROLFPQFPSA-N	-1	0	294.310	2.976	20	30		CFEDRM
CC(C)c1occc1C([O-])=C(C#N)c1ccncn1	ZINC000361793312	381863120	/nfs/dbraw/zinc/86/31/20/381863120.db2.gz	WTIALFALQRNFOY-LLVKDONJSA-N	-1	0	255.277	2.683	20	30		CFEDRM
N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1ccncn1	ZINC000361791788	381863735	/nfs/dbraw/zinc/86/37/35/381863735.db2.gz	FKKLSEASIBEIJC-CYBMUJFWSA-N	-1	0	295.346	2.668	20	30		CFEDRM
C=C(C)CCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1	ZINC000349773754	381988359	/nfs/dbraw/zinc/98/83/59/381988359.db2.gz	YTDMAFCOZUBJNW-UHFFFAOYSA-N	-1	0	275.264	2.859	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@@H](C)CC2CCCCC2)c1C#N	ZINC000357239705	382072604	/nfs/dbraw/zinc/07/26/04/382072604.db2.gz	HMMPLYUCCNXKPM-JTQLQIEISA-N	-1	0	274.368	2.557	20	30		CFEDRM
CCc1nc(=N[C@@H]2CCCc3cc(C#N)ccc32)s[n-]1	ZINC000419012183	382215854	/nfs/dbraw/zinc/21/58/54/382215854.db2.gz	DAJQZKXJTJRJSA-CYBMUJFWSA-N	-1	0	284.388	2.884	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2ccc(C)c(C)n2)n1	ZINC000420240347	382337080	/nfs/dbraw/zinc/33/70/80/382337080.db2.gz	UJKKOEJYRIBPEK-LLVKDONJSA-N	-1	0	271.345	2.953	20	30		CFEDRM
Cc1cn(C)nc1C([O-])=C(C#N)c1nc(C(C)C)cs1	ZINC000420275555	382340399	/nfs/dbraw/zinc/34/03/99/382340399.db2.gz	LDOALQSJLNMZAM-JTQLQIEISA-N	-1	0	288.376	2.799	20	30		CFEDRM
COCc1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1	ZINC000188274961	382381511	/nfs/dbraw/zinc/38/15/11/382381511.db2.gz	SXPNKHPJSFYUFN-UHFFFAOYSA-N	-1	0	282.299	2.663	20	30		CFEDRM
COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F	ZINC000188321377	382392270	/nfs/dbraw/zinc/39/22/70/382392270.db2.gz	FDYIKWNYEXIHCS-UHFFFAOYSA-N	-1	0	286.262	2.664	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1[O-]	ZINC000188522998	382429228	/nfs/dbraw/zinc/42/92/28/382429228.db2.gz	VTQVNILJRVWHEY-UHFFFAOYSA-N	-1	0	296.330	2.897	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000192881417	382713232	/nfs/dbraw/zinc/71/32/32/382713232.db2.gz	IKOKTKDYPWLDRX-UKRRQHHQSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000192876133	382713288	/nfs/dbraw/zinc/71/32/88/382713288.db2.gz	ZEDPWZVCYWDPID-LLVKDONJSA-N	-1	0	277.320	2.691	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000194722248	382753123	/nfs/dbraw/zinc/75/31/23/382753123.db2.gz	OUAIIAKFXFVUKX-SSDOTTSWSA-N	-1	0	257.692	2.879	20	30		CFEDRM
COc1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC000577066165	382846513	/nfs/dbraw/zinc/84/65/13/382846513.db2.gz	KLJODYAUTNALIO-UHFFFAOYSA-N	-1	0	253.257	2.932	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SC[C@@H]1CCCC(F)(F)C1	ZINC000337742521	382860548	/nfs/dbraw/zinc/86/05/48/382860548.db2.gz	DPWXSETYKQLRIF-SECBINFHSA-N	-1	0	288.367	2.794	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000578840371	382959094	/nfs/dbraw/zinc/95/90/94/382959094.db2.gz	FRCVACNIGAZKQL-AMIZOPFISA-N	-1	0	283.274	2.590	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCCC1	ZINC000238145027	382978733	/nfs/dbraw/zinc/97/87/33/382978733.db2.gz	IONUUXJISAYGID-VMPITWQZSA-N	-1	0	284.315	2.807	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000579251859	382997490	/nfs/dbraw/zinc/99/74/90/382997490.db2.gz	LFJVZRDZFYVQBR-LBPRGKRZSA-N	-1	0	293.338	2.841	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@@H](F)C(F)(F)F)s1	ZINC000443473127	382968109	/nfs/dbraw/zinc/96/81/09/382968109.db2.gz	KIROXGMKSZZOJD-RXMQYKEDSA-N	-1	0	287.307	2.550	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cccn1C1CCCC1)C(=O)[O-]	ZINC000448989183	383124017	/nfs/dbraw/zinc/12/40/17/383124017.db2.gz	CWMPMIITSNEBFX-CYBMUJFWSA-N	-1	0	290.363	2.752	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-]	ZINC000448989162	383124306	/nfs/dbraw/zinc/12/43/06/383124306.db2.gz	CQZFNCKSTNQKHG-SECBINFHSA-N	-1	0	296.392	2.590	20	30		CFEDRM
COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1F	ZINC000588619009	383119163	/nfs/dbraw/zinc/11/91/63/383119163.db2.gz	PABBTTNDJLYYCX-CLFYSBASSA-N	-1	0	299.305	2.658	20	30		CFEDRM
C=CCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000248615265	383272154	/nfs/dbraw/zinc/27/21/54/383272154.db2.gz	ZEORQBNPAMDUHL-UPJWGTAASA-N	-1	0	265.353	2.587	20	30		CFEDRM
CCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c(C)o1	ZINC000566930471	383226819	/nfs/dbraw/zinc/22/68/19/383226819.db2.gz	IHTRZTFLVZVSKY-SNVBAGLBSA-N	-1	0	294.314	2.912	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000567970674	383337809	/nfs/dbraw/zinc/33/78/09/383337809.db2.gz	SJKISQXFSOWDTM-WCQYABFASA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634899781	383397545	/nfs/dbraw/zinc/39/75/45/383397545.db2.gz	VDHRHUKGMPIQAI-BXUZGUMPSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CC1CCN(C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC1	ZINC000634904828	383398644	/nfs/dbraw/zinc/39/86/44/383398644.db2.gz	YTMPALHILAXSPJ-MRXNPFEDSA-N	-1	0	281.396	2.938	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1noc2ccccc21	ZINC000427750920	383415919	/nfs/dbraw/zinc/41/59/19/383415919.db2.gz	YRJMSJDGGGOZGO-UHFFFAOYSA-N	-1	0	266.322	2.536	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000634916508	383403700	/nfs/dbraw/zinc/40/37/00/383403700.db2.gz	ZEVOYEOEIVBMEL-LBPRGKRZSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1	ZINC000634928302	383408044	/nfs/dbraw/zinc/40/80/44/383408044.db2.gz	KDZOTKTVUCUFJQ-MCIONIFRSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=CC[C@H]1CCN(C(=O)CC(CC)(CC)C(=O)[O-])C1	ZINC000634938896	383412687	/nfs/dbraw/zinc/41/26/87/383412687.db2.gz	VONKQYVFSDTNQD-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
CC[C@H](Cc1ccccc1C)C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000425285637	383359067	/nfs/dbraw/zinc/35/90/67/383359067.db2.gz	SWAUZSLTYRJJPF-CYBMUJFWSA-N	-1	0	296.374	2.528	20	30		CFEDRM
C=CC(C)(C)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634840528	383375747	/nfs/dbraw/zinc/37/57/47/383375747.db2.gz	ODIFURAUCZDLTG-HNNXBMFYSA-N	-1	0	295.404	2.809	20	30		CFEDRM
C=CCCCCCNC(=O)[C@](C)(CC)CC(=O)[O-]	ZINC000634845088	383378316	/nfs/dbraw/zinc/37/83/16/383378316.db2.gz	ZCTLJBZZDOXOON-CQSZACIVSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)CC1(C(=O)[O-])CCCC1	ZINC000634847232	383378812	/nfs/dbraw/zinc/37/88/12/383378812.db2.gz	CFHRZBNXSURGBN-UHFFFAOYSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)CC(CC)(CC)C(=O)[O-]	ZINC000634870659	383387848	/nfs/dbraw/zinc/38/78/48/383387848.db2.gz	PRFUADHOCYLSNG-UHFFFAOYSA-N	-1	0	295.301	2.844	20	30		CFEDRM
CC(C)Cc1nc(=NCc2ccc(C#N)c(F)c2)s[n-]1	ZINC000450908179	383546003	/nfs/dbraw/zinc/54/60/03/383546003.db2.gz	LWUFWTVTOVJSPN-UHFFFAOYSA-N	-1	0	290.367	2.781	20	30		CFEDRM
Cc1cc(C)c(C([O-])=C(C#N)c2cc(C)nc(C)n2)o1	ZINC000429348474	383521644	/nfs/dbraw/zinc/52/16/44/383521644.db2.gz	WTBLJTBYSHSABV-LBPRGKRZSA-N	-1	0	269.304	2.793	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1	ZINC000635530526	383578592	/nfs/dbraw/zinc/57/85/92/383578592.db2.gz	WZISENISZYQOFF-QWHCGFSZSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=CCC[C@@H](NC(=O)CCc1ccc(CC)cc1)C(=O)[O-]	ZINC000262914943	383644744	/nfs/dbraw/zinc/64/47/44/383644744.db2.gz	NLUDASOFWFKYTJ-OAHLLOKOSA-N	-1	0	289.375	2.717	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1CN=c1[n-]nc(C(C)(C)C)s1	ZINC000435589088	383776408	/nfs/dbraw/zinc/77/64/08/383776408.db2.gz	PTGCBVNKURBNMK-WDEREUQCSA-N	-1	0	281.425	2.651	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)[C@@](C)(C#N)CC)c1	ZINC000436649918	383863685	/nfs/dbraw/zinc/86/36/85/383863685.db2.gz	XXQJMMINFDYGOV-OAHLLOKOSA-N	-1	0	274.320	2.863	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436943018	383898073	/nfs/dbraw/zinc/89/80/73/383898073.db2.gz	DUQQULZGHYUFCE-UHFFFAOYSA-N	-1	0	278.308	2.633	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000436960864	383898198	/nfs/dbraw/zinc/89/81/98/383898198.db2.gz	RVENJXBEMZDRJS-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
N#C[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1F	ZINC000436986834	383900039	/nfs/dbraw/zinc/90/00/39/383900039.db2.gz	HGVZDQMFYILLNX-LBPRGKRZSA-N	-1	0	288.253	2.665	20	30		CFEDRM
C=CCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21	ZINC000574159241	384053103	/nfs/dbraw/zinc/05/31/03/384053103.db2.gz	IUCFZHLYAJOCOZ-UHFFFAOYSA-N	-1	0	263.322	2.604	20	30		CFEDRM
C[C@@H]1C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000271260081	385378664	/nfs/dbraw/zinc/37/86/64/385378664.db2.gz	IIVZOXZQLCRWEY-SCVIVROUSA-N	-1	0	278.308	2.534	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1cc(F)c(F)c([O-])c1F	ZINC000272610348	385575699	/nfs/dbraw/zinc/57/56/99/385575699.db2.gz	NQGYMNHIAYUKSO-UHFFFAOYSA-N	-1	0	273.254	2.848	20	30		CFEDRM
C=C1CC(C)(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)C1	ZINC000639538652	385576611	/nfs/dbraw/zinc/57/66/11/385576611.db2.gz	ZOLHMIFYPLSLOP-UHFFFAOYSA-N	-1	0	298.346	2.775	20	30		CFEDRM
C=CCCOCC(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000681201539	542423246	/nfs/dbraw/zinc/42/32/46/542423246.db2.gz	WVWZXSRFSFNKMW-UHFFFAOYSA-N	-1	0	273.691	2.716	20	30		CFEDRM
C=C(C)COc1cccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1	ZINC000262021265	533520983	/nfs/dbraw/zinc/52/09/83/533520983.db2.gz	GFJKDNMYYKHWML-KBPBESRZSA-N	-1	0	289.331	2.691	20	30		CFEDRM
CCC(CC)[C@H](C)C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000341813066	130073571	/nfs/dbraw/zinc/07/35/71/130073571.db2.gz	PRFWKMAJHPROOW-NSHDSACASA-N	-1	0	290.411	2.942	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC000263020496	131280007	/nfs/dbraw/zinc/28/00/07/131280007.db2.gz	TXQZHCSWAZANRM-JTQLQIEISA-N	-1	0	277.320	2.934	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ccc(OCC(=O)[O-])cc2)nc1	ZINC000193447160	393652158	/nfs/dbraw/zinc/65/21/58/393652158.db2.gz	INVDTHKSHIGVGV-ORCRQEGFSA-N	-1	0	280.283	2.587	20	30		CFEDRM
Cc1c(C#N)c(N(C)CCCC(=O)[O-])nc2ccccc12	ZINC000416422917	393917802	/nfs/dbraw/zinc/91/78/02/393917802.db2.gz	PTZOJPWIQVRMKS-UHFFFAOYSA-N	-1	0	283.331	2.716	20	30		CFEDRM
C[C@@H](CC(=O)[O-])Nc1cc(C#N)ccc1C(F)(F)F	ZINC000416426641	393918712	/nfs/dbraw/zinc/91/87/12/393918712.db2.gz	MZHPWYGCGVGXQQ-ZETCQYMHSA-N	-1	0	272.226	2.852	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1c(F)cccc1NC(C)C	ZINC000416961098	393946890	/nfs/dbraw/zinc/94/68/90/393946890.db2.gz	RPUILZWCQSBWMF-SNVBAGLBSA-N	-1	0	299.371	2.690	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1cc(F)cc(Cl)c1[O-]	ZINC000487193134	393988574	/nfs/dbraw/zinc/98/85/74/393988574.db2.gz	VPUUVRCMEWIBRE-UHFFFAOYSA-N	-1	0	291.669	2.704	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cccc(F)c2C#N)c1	ZINC000436828146	394025568	/nfs/dbraw/zinc/02/55/68/394025568.db2.gz	XBBYZCXPSVWIGU-UHFFFAOYSA-N	-1	0	298.273	2.858	20	30		CFEDRM
CC(C)c1scnc1C([O-])=C(C#N)c1ccncn1	ZINC000355192781	394060647	/nfs/dbraw/zinc/06/06/47/394060647.db2.gz	UWWORTVNQXHGEO-SECBINFHSA-N	-1	0	272.333	2.547	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C/C1CCCCC1)C(=O)[O-]	ZINC000493127004	394156916	/nfs/dbraw/zinc/15/69/16/394156916.db2.gz	ZYMPCBYKCZUHNN-OCHBPSSRSA-N	-1	0	265.353	2.659	20	30		CFEDRM
Cc1[nH]nc(C([O-])=C(C#N)c2nc3ccccc3o2)c1C	ZINC000361122344	394165935	/nfs/dbraw/zinc/16/59/35/394165935.db2.gz	YFXDACTYILXORD-JTQLQIEISA-N	-1	0	280.287	2.658	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C/SCc1ccco1)C(=O)[O-]	ZINC000493350017	394218636	/nfs/dbraw/zinc/21/86/36/394218636.db2.gz	IAWNXSMMGAAZKD-YPUOHESYSA-N	-1	0	295.360	2.562	20	30		CFEDRM
CCCCCCCCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC000155462310	394316980	/nfs/dbraw/zinc/31/69/80/394316980.db2.gz	ASPMFLUCOJTSOQ-CYBMUJFWSA-N	-1	0	293.415	2.656	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cn(C)nc2C2CC2)n1	ZINC000685782912	542944080	/nfs/dbraw/zinc/94/40/80/542944080.db2.gz	MSUVRUFPDKIJEH-JTQLQIEISA-N	-1	0	286.360	2.553	20	30		CFEDRM
C=C[C@@H]1CCCCN1c1ncc(C(=O)[O-])cc1Cl	ZINC000647454003	395338014	/nfs/dbraw/zinc/33/80/14/395338014.db2.gz	ACWGWCJZTRKCJR-SNVBAGLBSA-N	-1	0	266.728	2.978	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)s1	ZINC000051637837	397589919	/nfs/dbraw/zinc/58/99/19/397589919.db2.gz	ICMGUZHCSWDRFL-UHFFFAOYSA-N	-1	0	296.348	2.868	20	30		CFEDRM
C=CC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000575126425	335069895	/nfs/dbraw/zinc/06/98/95/335069895.db2.gz	CHWDZGXWWQJYIT-UHFFFAOYSA-N	-1	0	276.292	2.695	20	30		CFEDRM
C=CCCCCCNC(=O)N1CCCCC[C@@H]1C(=O)[O-]	ZINC000653531345	413349694	/nfs/dbraw/zinc/34/96/94/413349694.db2.gz	IVGFWXJFMRFQCL-CYBMUJFWSA-N	-1	0	282.384	2.772	20	30		CFEDRM
N#Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)[O-])c(F)c1	ZINC000347243068	162634531	/nfs/dbraw/zinc/63/45/31/162634531.db2.gz	TYBSIQCOOMDOKC-HNNXBMFYSA-N	-1	0	284.290	2.805	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-]	ZINC000654802427	414004059	/nfs/dbraw/zinc/00/40/59/414004059.db2.gz	MEMJPGTYCODWMZ-OLZOCXBDSA-N	-1	0	284.400	2.872	20	30		CFEDRM
C=CCCCCNC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000654810366	414004246	/nfs/dbraw/zinc/00/42/46/414004246.db2.gz	CBUFXFOHIVJXBG-LLVKDONJSA-N	-1	0	282.365	2.529	20	30		CFEDRM
C=CCCCCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000655556886	414323062	/nfs/dbraw/zinc/32/30/62/414323062.db2.gz	PIIAGQLASWGAIW-OAHLLOKOSA-N	-1	0	265.353	2.660	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)C(=O)[O-]	ZINC000659166901	414459650	/nfs/dbraw/zinc/45/96/50/414459650.db2.gz	XKJCKFFELRDLLN-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2cccc(CC(=O)[O-])c2)C1	ZINC000659170336	414461778	/nfs/dbraw/zinc/46/17/78/414461778.db2.gz	SWYHVNPVPQIJAI-ZDUSSCGKSA-N	-1	0	287.359	2.742	20	30		CFEDRM
C=C[C@@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccccc1	ZINC000659216296	414471182	/nfs/dbraw/zinc/47/11/82/414471182.db2.gz	OKTPSLZMGVZKFI-BLLLJJGKSA-N	-1	0	293.338	2.665	20	30		CFEDRM
C=CCCCCCNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000659767145	414547420	/nfs/dbraw/zinc/54/74/20/414547420.db2.gz	OCBOOETZHAXEQA-UHFFFAOYSA-N	-1	0	291.347	2.626	20	30		CFEDRM
C=CCCCCCNC(=O)N1CCC(C)(C(=O)[O-])CC1	ZINC000655883227	414487131	/nfs/dbraw/zinc/48/71/31/414487131.db2.gz	WKLIPUPXPLIYOH-UHFFFAOYSA-N	-1	0	282.384	2.629	20	30		CFEDRM
C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655905592	414489807	/nfs/dbraw/zinc/48/98/07/414489807.db2.gz	YBCAWCXZXPILEN-FRRDWIJNSA-N	-1	0	296.411	2.729	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1CC2(C1)CCCCC2)C(=O)[O-]	ZINC000656491893	414591955	/nfs/dbraw/zinc/59/19/55/414591955.db2.gz	SGXLTQCUJCYUHA-CYBMUJFWSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1ccc(C2CC2)cc1)C(=O)[O-]	ZINC000656490350	414592072	/nfs/dbraw/zinc/59/20/72/414592072.db2.gz	ALMAPFNWMUXZGE-CQSZACIVSA-N	-1	0	273.332	2.713	20	30		CFEDRM
C=CCCC1(CNC(=O)NC(C)(C)C(=O)[O-])CCCC1	ZINC000656588213	414611141	/nfs/dbraw/zinc/61/11/41/414611141.db2.gz	GFESQOCKHHEDBY-UHFFFAOYSA-N	-1	0	282.384	2.675	20	30		CFEDRM
C=CC1CCN(C(=O)C2(C(=O)[O-])CCCCCC2)CC1	ZINC000663081624	414651309	/nfs/dbraw/zinc/65/13/09/414651309.db2.gz	XCNLWNIZPBQUSM-UHFFFAOYSA-N	-1	0	279.380	2.836	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(F)cc1C(=O)[O-]	ZINC000040521693	174310681	/nfs/dbraw/zinc/31/06/81/174310681.db2.gz	AZYSUHLGDPSMKU-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1cccc(F)c1C(=O)[O-]	ZINC000040547161	174325435	/nfs/dbraw/zinc/32/54/35/174325435.db2.gz	GPUCVGQWOWTMEZ-UHFFFAOYSA-N	-1	0	280.299	2.954	20	30		CFEDRM
N#Cc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000045223563	175331540	/nfs/dbraw/zinc/33/15/40/175331540.db2.gz	ROHAATYFVMBNQI-UHFFFAOYSA-N	-1	0	286.718	2.847	20	30		CFEDRM
N#Cc1cncnc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1	ZINC001243154457	782022231	/nfs/dbraw/zinc/02/22/31/782022231.db2.gz	YIRBUXPZJUPPSF-UHFFFAOYSA-N	-1	0	293.204	2.732	20	30		CFEDRM
N#C[C@@H](C(=O)c1csc2c1CCCC2)c1ccncn1	ZINC000354473808	227009464	/nfs/dbraw/zinc/00/94/64/227009464.db2.gz	QESSUAWCFCROLN-LLVKDONJSA-N	-1	0	283.356	2.907	20	30		CFEDRM
[O-]/C(=N/Cc1cn2ccsc2n1)[C@H]1CCCOCC1	ZINC000330261559	228083933	/nfs/dbraw/zinc/08/39/33/228083933.db2.gz	PEOJGYWYVNXVBO-JTQLQIEISA-N	-1	0	279.365	2.669	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc(C)c(C#N)n2)c1	ZINC001243177334	782037013	/nfs/dbraw/zinc/03/70/13/782037013.db2.gz	HKCSKGSCIACANH-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CO[C@@]1(C)C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1(C)C	ZINC000080714878	260318535	/nfs/dbraw/zinc/31/85/35/260318535.db2.gz	HPKADPVALUCVDY-RTEWSFLISA-N	-1	0	292.335	2.923	20	30		CFEDRM
C[NH+](C)Cc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1	ZINC000518298088	260370331	/nfs/dbraw/zinc/37/03/31/260370331.db2.gz	FDJHWPYHVOVFOL-UHFFFAOYSA-N	-1	0	295.342	2.578	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1	ZINC000046927371	260653696	/nfs/dbraw/zinc/65/36/96/260653696.db2.gz	VNFVBZKZRWJQNV-UHFFFAOYSA-N	-1	0	267.350	2.830	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-]	ZINC000449001940	261071949	/nfs/dbraw/zinc/07/19/49/261071949.db2.gz	LSCDSZWIWCCXBD-TZMCWYRMSA-N	-1	0	297.395	2.507	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCO[C@H](C3CC3)C2)c1	ZINC000154226100	261089285	/nfs/dbraw/zinc/08/92/85/261089285.db2.gz	MIPHKXQJBXYBFN-KXLNPEPSSA-N	-1	0	290.319	2.677	20	30		CFEDRM
Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1C#N	ZINC000179029308	261412437	/nfs/dbraw/zinc/41/24/37/261412437.db2.gz	IJUQKLOFHWAEEY-UHFFFAOYSA-N	-1	0	297.339	2.539	20	30		CFEDRM
CSc1ccccc1C([O-])=C(C#N)c1ccncn1	ZINC000354459624	261600658	/nfs/dbraw/zinc/60/06/58/261600658.db2.gz	DHXNWODOKHPDKU-NSHDSACASA-N	-1	0	269.329	2.689	20	30		CFEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354465915	262200881	/nfs/dbraw/zinc/20/08/81/262200881.db2.gz	JPDHFOWJCCUNHP-CYBMUJFWSA-N	-1	0	279.299	2.559	20	30		CFEDRM
CCC(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1	ZINC000354465923	262201209	/nfs/dbraw/zinc/20/12/09/262201209.db2.gz	JPDHFOWJCCUNHP-ZDUSSCGKSA-N	-1	0	279.299	2.559	20	30		CFEDRM
C[C@H]1COCC[C@@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000277448875	263041245	/nfs/dbraw/zinc/04/12/45/263041245.db2.gz	QMGMYWKMDBBTOO-ILDUICACSA-N	-1	0	298.726	2.798	20	30		CFEDRM
CC1(C#N)CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1	ZINC000280500260	263062269	/nfs/dbraw/zinc/06/22/69/263062269.db2.gz	POACAYASJLICQS-UHFFFAOYSA-N	-1	0	285.130	2.685	20	30		CFEDRM
C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F	ZINC000287216279	263101360	/nfs/dbraw/zinc/10/13/60/263101360.db2.gz	MWWNDUKHRWGTDG-JHKKWMAKSA-N	-1	0	262.187	2.670	20	30		CFEDRM
C=C(CN=c1[n-]nc(C2CC2)s1)c1ccccc1	ZINC000340867782	263309946	/nfs/dbraw/zinc/30/99/46/263309946.db2.gz	BDHVEPHFQVOSPN-UHFFFAOYSA-N	-1	0	257.362	2.963	20	30		CFEDRM
C=C(CN=c1nc([C@H](C)OC)[n-]s1)c1ccccc1	ZINC000340914806	263314553	/nfs/dbraw/zinc/31/45/53/263314553.db2.gz	NXPKPIDASAWABH-NSHDSACASA-N	-1	0	275.377	2.793	20	30		CFEDRM
C=CCCN(C)C(=O)N=c1ccc(-c2ccccc2)n[n-]1	ZINC000341976327	263368658	/nfs/dbraw/zinc/36/86/58/263368658.db2.gz	ZOGCSMCRSVDOIZ-UHFFFAOYSA-N	-1	0	282.347	2.605	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C#N)c(O)c1	ZINC000189146436	264272430	/nfs/dbraw/zinc/27/24/30/264272430.db2.gz	YBAVFWQVSMZISQ-LLVKDONJSA-N	-1	0	258.321	2.738	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cccnc2CC#N)c1	ZINC001243177416	782038066	/nfs/dbraw/zinc/03/80/66/782038066.db2.gz	IJKXBRCCBVULMN-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2ccc3ncc(C#N)n3c2)c1	ZINC001243177394	782038626	/nfs/dbraw/zinc/03/86/26/782038626.db2.gz	IEJRQEYJQBDXHA-UHFFFAOYSA-N	-1	0	277.283	2.880	20	30		CFEDRM
N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc2ccccc2o1	ZINC000358989960	266518415	/nfs/dbraw/zinc/51/84/15/266518415.db2.gz	WUQSHECMNJHRHE-MRVPVSSYSA-N	-1	0	296.242	2.554	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000192858977	277783004	/nfs/dbraw/zinc/78/30/04/277783004.db2.gz	UWCBGWHSLCPPCW-WFASDCNBSA-N	-1	0	287.359	2.627	20	30		CFEDRM
Cc1ccc(-c2ncc(C#N)cc2C)cc1C(=O)[O-]	ZINC001243193555	782053988	/nfs/dbraw/zinc/05/39/88/782053988.db2.gz	WRZWGWKQZAQBNA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
CC(=Cc1scnc1C1CC1)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000562461558	290044945	/nfs/dbraw/zinc/04/49/45/290044945.db2.gz	VTAAPDIFHNZFIK-VMPITWQZSA-N	-1	0	298.371	2.844	20	30		CFEDRM
Cc1ccc(-c2ccc(C)c(C(=O)[O-])c2)c(C#N)n1	ZINC001243194126	782054850	/nfs/dbraw/zinc/05/48/50/782054850.db2.gz	AJFXMEIPWIOLJG-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1ccc(-c2cnccc2CC#N)cc1C(=O)[O-]	ZINC001243195424	782056796	/nfs/dbraw/zinc/05/67/96/782056796.db2.gz	QESPWBQAIFCJFU-UHFFFAOYSA-N	-1	0	252.273	2.821	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1-c1nccc(C#N)c1C	ZINC001243202198	782061685	/nfs/dbraw/zinc/06/16/85/782061685.db2.gz	LPIDEKFTIDBSEY-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
COc1cc(C#N)cnc1-c1ccc(C(=O)[O-])cc1C	ZINC001243202266	782061777	/nfs/dbraw/zinc/06/17/77/782061777.db2.gz	NIVRFHCNOGYZCD-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
Cc1cc(N[C@@H](C)C(=O)[O-])n2c3ccccc3nc2c1C#N	ZINC000347229926	301364671	/nfs/dbraw/zinc/36/46/71/301364671.db2.gz	IZGVLRCPFPBVQM-JTQLQIEISA-N	-1	0	294.314	2.553	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000356512883	301487785	/nfs/dbraw/zinc/48/77/85/301487785.db2.gz	MTTAOEHQMZVNTL-UHFFFAOYSA-N	-1	0	297.270	2.733	20	30		CFEDRM
N#Cc1cc(N2CCC[C@H]2C(=O)[O-])ccc1C(F)(F)F	ZINC000163839146	303185102	/nfs/dbraw/zinc/18/51/02/303185102.db2.gz	MLAOBESWBVNAPY-NSHDSACASA-N	-1	0	284.237	2.630	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F	ZINC000037115745	303193468	/nfs/dbraw/zinc/19/34/68/303193468.db2.gz	QOYZELXSHHZZND-JTQLQIEISA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[n-]c1C#N	ZINC000130019429	303216002	/nfs/dbraw/zinc/21/60/02/303216002.db2.gz	UZQIJEHHKJTNRO-QJPTWQEYSA-N	-1	0	297.362	2.698	20	30		CFEDRM
Cc1cc(-c2ncc(F)cc2C#N)ccc1C(=O)[O-]	ZINC001243211519	782072292	/nfs/dbraw/zinc/07/22/92/782072292.db2.gz	SSQHPAZOQATCAO-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
CCCN(CC#N)C(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000571222866	328092967	/nfs/dbraw/zinc/09/29/67/328092967.db2.gz	MFBYLHQDUVQEFW-UHFFFAOYSA-N	-1	0	286.253	2.787	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000281874486	328241324	/nfs/dbraw/zinc/24/13/24/328241324.db2.gz	RQYLMTIUYLWBNN-CAPHESJISA-N	-1	0	290.319	2.701	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCc2ccccc2)CC12CCCC2	ZINC000294585298	328281762	/nfs/dbraw/zinc/28/17/62/328281762.db2.gz	YEYTTYRLLAVFTC-MRXNPFEDSA-N	-1	0	270.332	2.708	20	30		CFEDRM
CC1(C)CCCC[C@@H]1CC(=O)Nc1nc(C#N)c(C#N)[n-]1	ZINC000161813507	322357345	/nfs/dbraw/zinc/35/73/45/322357345.db2.gz	TYJOVEQGSZTHQE-SNVBAGLBSA-N	-1	0	285.351	2.698	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)CCC1CCCC1	ZINC000571732610	322593910	/nfs/dbraw/zinc/59/39/10/322593910.db2.gz	RLTVTKHNLHQYRB-UHFFFAOYSA-N	-1	0	278.377	2.880	20	30		CFEDRM
CC(C)(C)c1nc(=NCC(C)(C)CCC#N)[n-]o1	ZINC000340932436	328402329	/nfs/dbraw/zinc/40/23/29/328402329.db2.gz	DPHSTDVCXYQLDC-UHFFFAOYSA-N	-1	0	250.346	2.531	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O	ZINC000416957948	328435619	/nfs/dbraw/zinc/43/56/19/328435619.db2.gz	LJODWXZWMDLYFU-LLVKDONJSA-N	-1	0	296.392	2.734	20	30		CFEDRM
CCN(C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1	ZINC000188282044	324013165	/nfs/dbraw/zinc/01/31/65/324013165.db2.gz	LHGUJJQVIAZZNE-UHFFFAOYSA-N	-1	0	266.300	2.931	20	30		CFEDRM
CN=c1[n-]nc(SCc2ccc(C#N)cc2Cl)s1	ZINC000385214585	324458950	/nfs/dbraw/zinc/45/89/50/324458950.db2.gz	BLUXDINKUWCRJO-UHFFFAOYSA-N	-1	0	296.808	2.819	20	30		CFEDRM
CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C#N)cn2)c1	ZINC000582036757	325170764	/nfs/dbraw/zinc/17/07/64/325170764.db2.gz	RXYOCTVGCMTUJQ-UHFFFAOYSA-N	-1	0	295.298	2.504	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)c(C)c1	ZINC000077940333	326923664	/nfs/dbraw/zinc/92/36/64/326923664.db2.gz	ZRSNRTRNIZQBKU-UHFFFAOYSA-N	-1	0	279.361	2.915	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1ccc(CC)cc1)C(=O)[O-]	ZINC000262914939	326970046	/nfs/dbraw/zinc/97/00/46/326970046.db2.gz	NLUDASOFWFKYTJ-HNNXBMFYSA-N	-1	0	289.375	2.717	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1	ZINC000263551932	327079923	/nfs/dbraw/zinc/07/99/23/327079923.db2.gz	WXGMUXSWIKFUFQ-LLVKDONJSA-N	-1	0	261.321	2.859	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1	ZINC000562648524	327502542	/nfs/dbraw/zinc/50/25/42/327502542.db2.gz	RBVVXRJSVRMNJD-WDEREUQCSA-N	-1	0	282.365	2.528	20	30		CFEDRM
C=CCn1c(C2CCC2)n[n-]c1=Nc1cccc(OC)c1	ZINC000570554751	327599875	/nfs/dbraw/zinc/59/98/75/327599875.db2.gz	IEEYBKZNIFDFAU-UHFFFAOYSA-N	-1	0	284.363	2.906	20	30		CFEDRM
C=CCCCCCNC(=O)CC(C)(C)CC(=O)[O-]	ZINC000583638635	328722152	/nfs/dbraw/zinc/72/21/52/328722152.db2.gz	DMNOCNOTESJTBO-UHFFFAOYSA-N	-1	0	255.358	2.740	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N[C@H](CCCC)C(=O)[O-]	ZINC000398224896	329440277	/nfs/dbraw/zinc/44/02/77/329440277.db2.gz	POKWLMDEOILPQW-NWDGAFQWSA-N	-1	0	270.373	2.674	20	30		CFEDRM
C=CCCCCCNC(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC000584419042	329464058	/nfs/dbraw/zinc/46/40/58/329464058.db2.gz	SSNPKZCQAXYHAM-LBPRGKRZSA-N	-1	0	282.384	2.770	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1CN=c1nc(C2CCCC2)[n-]s1	ZINC000425263467	329652403	/nfs/dbraw/zinc/65/24/03/329652403.db2.gz	LDEHXTTYVPIYHI-RYUDHWBXSA-N	-1	0	279.409	2.621	20	30		CFEDRM
C=CCC[C@H](CO)N=c1nc(C2CCCCC2)[n-]s1	ZINC000420621952	329779473	/nfs/dbraw/zinc/77/94/73/329779473.db2.gz	CVIJCFXMGUFSPV-GFCCVEGCSA-N	-1	0	281.425	2.747	20	30		CFEDRM
C=CCCCN(C)C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000262393898	330012342	/nfs/dbraw/zinc/01/23/42/330012342.db2.gz	NDBYYEDRALXIRN-UHFFFAOYSA-N	-1	0	265.284	2.562	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCC1CCCC1)C(=O)[O-]	ZINC000262773813	330030630	/nfs/dbraw/zinc/03/06/30/330030630.db2.gz	AMRJVBARRVKGDU-ZDUSSCGKSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)C(=O)[O-]	ZINC000262783299	330031347	/nfs/dbraw/zinc/03/13/47/330031347.db2.gz	BDZBSVGRFIVPCN-ZNMIVQPWSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@H](C)CC1CCCC1)C(=O)[O-]	ZINC000262788966	330031505	/nfs/dbraw/zinc/03/15/05/330031505.db2.gz	BQSVLGPYBAWUMW-YPMHNXCESA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=CCCCN(C)C(=O)c1cc(C)cc(C(=O)[O-])c1	ZINC000262821141	330033900	/nfs/dbraw/zinc/03/39/00/330033900.db2.gz	AUFCVKIJHUORAO-UHFFFAOYSA-N	-1	0	261.321	2.731	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-]	ZINC000262927375	330037053	/nfs/dbraw/zinc/03/70/53/330037053.db2.gz	OOJQDMSWFHMWOM-FZMZJTMJSA-N	-1	0	293.338	2.855	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc2cccc(C)c2o1)C(=O)[O-]	ZINC000262944966	330037373	/nfs/dbraw/zinc/03/73/73/330037373.db2.gz	QCZXTTAGJZLQKT-LBPRGKRZSA-N	-1	0	287.315	2.890	20	30		CFEDRM
C=CCC[C@@H](NC(=O)Cc1c(C)cc(C)cc1C)C(=O)[O-]	ZINC000262993063	330038189	/nfs/dbraw/zinc/03/81/89/330038189.db2.gz	VLPINIKZEACQGT-OAHLLOKOSA-N	-1	0	289.375	2.690	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C(=O)[O-]	ZINC000263000388	330038382	/nfs/dbraw/zinc/03/83/82/330038382.db2.gz	WHPSYBIHJJNQBH-ISZGNANSSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=CCOCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1	ZINC000263050126	330040764	/nfs/dbraw/zinc/04/07/64/330040764.db2.gz	DVJNMQYICWRXJI-GFCCVEGCSA-N	-1	0	291.347	2.796	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C	ZINC000263130620	330044991	/nfs/dbraw/zinc/04/49/91/330044991.db2.gz	XSMVKDKHJLEVPG-FZMZJTMJSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263202621	330049003	/nfs/dbraw/zinc/04/90/03/330049003.db2.gz	HQASQNVGCFCWLD-DVOMOZLQSA-N	-1	0	294.395	2.628	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(=O)[O-]	ZINC000263514565	330058171	/nfs/dbraw/zinc/05/81/71/330058171.db2.gz	DIQCEEMIFXQBJW-NWDGAFQWSA-N	-1	0	255.358	2.594	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1F	ZINC000088475999	330376647	/nfs/dbraw/zinc/37/66/47/330376647.db2.gz	MPTGVUSBQWTXGD-QMMMGPOBSA-N	-1	0	276.720	2.523	20	30		CFEDRM
N#CCCN(Cc1ccco1)C(=O)c1ccccc1O	ZINC000120793893	330392144	/nfs/dbraw/zinc/39/21/44/330392144.db2.gz	HEJXLIVJHISWGT-UHFFFAOYSA-N	-1	0	270.288	2.541	20	30		CFEDRM
C=CCN=c1[n-]nc(SC[C@H](C)C(F)(F)F)s1	ZINC000439036121	330732823	/nfs/dbraw/zinc/73/28/23/330732823.db2.gz	FPISRBSGJIODRG-LURJTMIESA-N	-1	0	283.344	2.848	20	30		CFEDRM
C=CCCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C)n1	ZINC000443421055	330799484	/nfs/dbraw/zinc/79/94/84/330799484.db2.gz	WINQBQBLFNFDCN-UHFFFAOYSA-N	-1	0	291.376	2.638	20	30		CFEDRM
C=CCCCN=c1[n-]nc(Cc2ccccc2)s1	ZINC000447813065	330877551	/nfs/dbraw/zinc/87/75/51/330877551.db2.gz	UKTGZKXMGPYLGP-UHFFFAOYSA-N	-1	0	259.378	2.929	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C(=O)[O-]	ZINC000448991618	330890476	/nfs/dbraw/zinc/89/04/76/330890476.db2.gz	JLWFWHIRAGRLMZ-BRLPQQTGSA-N	-1	0	291.322	2.765	20	30		CFEDRM
C=C[C@@H]1OCCC[C@H]1N=c1[n-]nc(-c2ccccc2)s1	ZINC000450809455	331000708	/nfs/dbraw/zinc/00/07/08/331000708.db2.gz	WRYPJGIOORONKL-OLZOCXBDSA-N	-1	0	287.388	2.773	20	30		CFEDRM
Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1C(C)C	ZINC000453574667	331134631	/nfs/dbraw/zinc/13/46/31/331134631.db2.gz	CBANVRIFSQFHQY-ZDUSSCGKSA-N	-1	0	297.362	2.669	20	30		CFEDRM
C=CC(C)(C)CNC(=O)N=c1nc(C(C)(C)C)[n-]s1	ZINC000454711829	331152026	/nfs/dbraw/zinc/15/20/26/331152026.db2.gz	RAPFKHMBKDAIGB-UHFFFAOYSA-N	-1	0	282.413	2.591	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1ccc(F)c(F)c1[O-]	ZINC000457302014	331218475	/nfs/dbraw/zinc/21/84/75/331218475.db2.gz	XANURQQEPHVUTM-MRVPVSSYSA-N	-1	0	271.263	2.590	20	30		CFEDRM
N#CC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1	ZINC000459327070	331276415	/nfs/dbraw/zinc/27/64/15/331276415.db2.gz	NVIHZYSFMFLINS-UHFFFAOYSA-N	-1	0	294.358	2.585	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(O)c1Br	ZINC000459570574	331288493	/nfs/dbraw/zinc/28/84/93/331288493.db2.gz	DSISSHHTAKISKW-PWSUYJOCSA-N	-1	0	298.180	2.588	20	30		CFEDRM
CC#CCSc1n[n-]c(=Nc2ccccc2F)s1	ZINC000463040146	331338281	/nfs/dbraw/zinc/33/82/81/331338281.db2.gz	CECZCKHSKCNHGT-UHFFFAOYSA-N	-1	0	279.365	2.958	20	30		CFEDRM
C#C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1F	ZINC000491219294	332168086	/nfs/dbraw/zinc/16/80/86/332168086.db2.gz	DHCKDXPPHUATPS-SECBINFHSA-N	-1	0	279.620	2.832	20	30		CFEDRM
C#C[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(F)cc1	ZINC000491629372	332252323	/nfs/dbraw/zinc/25/23/23/332252323.db2.gz	OFWRDJXALFPSSZ-SKDRFNHKSA-N	-1	0	291.351	2.593	20	30		CFEDRM
C#C[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(F)cc1	ZINC000491629370	332252385	/nfs/dbraw/zinc/25/23/85/332252385.db2.gz	OFWRDJXALFPSSZ-JOYOIKCWSA-N	-1	0	291.351	2.593	20	30		CFEDRM
C#C[C@H](NCc1nc(C)ccc1O)c1ccc(F)cc1	ZINC000491633004	332254729	/nfs/dbraw/zinc/25/47/29/332254729.db2.gz	PMTCGROPWAZDIJ-AWEZNQCLSA-N	-1	0	270.307	2.699	20	30		CFEDRM
C=C(C)CN(CC)C(=O)/C=C\c1ccc(C(=O)[O-])cc1	ZINC000492159035	332385133	/nfs/dbraw/zinc/38/51/33/332385133.db2.gz	YDMINTFUBFQZCY-YFHOEESVSA-N	-1	0	273.332	2.823	20	30		CFEDRM
C=CCC1(CNc2ncc(C(=O)[O-])cn2)CCCC1	ZINC000522003670	333229802	/nfs/dbraw/zinc/22/98/02/333229802.db2.gz	KBPIFBFJYWTPCZ-UHFFFAOYSA-N	-1	0	261.325	2.723	20	30		CFEDRM
C=CCC[C@H](NC(=O)Nc1cscc1C)C(=O)[O-]	ZINC000316402155	333391395	/nfs/dbraw/zinc/39/13/95/333391395.db2.gz	WQVUGVFEHOQUDI-VIFPVBQESA-N	-1	0	268.338	2.597	20	30		CFEDRM
C=CCn1c(=N)[n-]nc1SCc1ccc2ncccc2c1	ZINC000547434393	334088059	/nfs/dbraw/zinc/08/80/59/334088059.db2.gz	BPLCSXWSHPWFFN-UHFFFAOYSA-N	-1	0	297.387	2.717	20	30		CFEDRM
C[C@H](CC#N)N(C)C(=O)c1cc(Br)ccc1O	ZINC000136924623	334165630	/nfs/dbraw/zinc/16/56/30/334165630.db2.gz	XMTOBWFTLXFCSK-MRVPVSSYSA-N	-1	0	297.152	2.529	20	30		CFEDRM
N#CCc1ccc(CN=c2nc(C3CC3)[n-]s2)cc1	ZINC000567768050	334759592	/nfs/dbraw/zinc/75/95/92/334759592.db2.gz	AJTAYSASCXXMLQ-UHFFFAOYSA-N	-1	0	270.361	2.516	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000567970672	334779931	/nfs/dbraw/zinc/77/99/31/334779931.db2.gz	SJKISQXFSOWDTM-AAEUAGOBSA-N	-1	0	267.369	2.760	20	30		CFEDRM
C=CCC[C@H](NC(=O)NC[C@H]1CCCC[C@H]1C)C(=O)[O-]	ZINC000316374670	334820231	/nfs/dbraw/zinc/82/02/31/334820231.db2.gz	RZFAAFBKVMITCY-UPJWGTAASA-N	-1	0	282.384	2.531	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)N(CCC)[C@@H](CC)C(=O)[O-]	ZINC000579322395	335734198	/nfs/dbraw/zinc/73/41/98/335734198.db2.gz	FHANPOUZKODHJX-NEPJUHHUSA-N	-1	0	270.373	2.626	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000354750298	335762440	/nfs/dbraw/zinc/76/24/40/335762440.db2.gz	VJPPSTVAPDIOHZ-SNVBAGLBSA-N	-1	0	278.308	2.775	20	30		CFEDRM
COc1cc(-c2cc(Cl)cc(C(=O)[O-])c2)ncc1C#N	ZINC001243322818	782137655	/nfs/dbraw/zinc/13/76/55/782137655.db2.gz	NZZZGFUJUVCRFG-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
COc1cnc(-c2ccc([O-])c(F)c2F)c(C#N)c1	ZINC001243339110	782144207	/nfs/dbraw/zinc/14/42/07/782144207.db2.gz	NIMJEZWUHFBWSN-UHFFFAOYSA-N	-1	0	262.215	2.613	20	30		CFEDRM
Cc1c(C#N)cccc1NC(=O)CC1(C(=O)[O-])CCCC1	ZINC000178989600	533725925	/nfs/dbraw/zinc/72/59/25/533725925.db2.gz	BBNJPZXTUVGISR-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
C[C@H](C#N)C(=O)Nc1cc(Cl)cc(Cl)c1[O-]	ZINC000336011726	534285063	/nfs/dbraw/zinc/28/50/63/534285063.db2.gz	PFYWKMNPDCPOKC-RXMQYKEDSA-N	-1	0	259.092	2.797	20	30		CFEDRM
C=CCCC(=O)N1CCCc2c(C(=O)[O-])cccc21	ZINC000054399836	518692586	/nfs/dbraw/zinc/69/25/86/518692586.db2.gz	YPOFGOVIRHGJQW-UHFFFAOYSA-N	-1	0	259.305	2.630	20	30		CFEDRM
CC(C)C[C@H](CNc1cc(C#N)c2ccccc2n1)C(=O)[O-]	ZINC000336854372	519347613	/nfs/dbraw/zinc/34/76/13/519347613.db2.gz	NVZVRFTWVNGXFC-CYBMUJFWSA-N	-1	0	297.358	2.687	20	30		CFEDRM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1	ZINC000230333589	521910673	/nfs/dbraw/zinc/91/06/73/521910673.db2.gz	AAVUCBJISKPOSY-UHFFFAOYSA-N	-1	0	292.385	2.983	20	30		CFEDRM
CC[C@H](C)[C@H](Nc1ccc(C#N)cc1F)C(=O)[O-]	ZINC000262133987	521982339	/nfs/dbraw/zinc/98/23/39/521982339.db2.gz	OKEDILMHAJCETH-UFBFGSQYSA-N	-1	0	250.273	2.609	20	30		CFEDRM
C=C[C@H](CC(=O)NC[C@@H](CCC)C(=O)[O-])c1ccccc1	ZINC000263220623	534674405	/nfs/dbraw/zinc/67/44/05/534674405.db2.gz	QOWAOSHVOMTFMI-UKRRQHHQSA-N	-1	0	289.375	2.963	20	30		CFEDRM
C[C@@H]1CCCC[C@@H]1C(=O)N=c1[n-]n(C(C)(C)C)cc1C#N	ZINC000335110927	524120468	/nfs/dbraw/zinc/12/04/68/524120468.db2.gz	PSKHLGOTCXUUJR-YPMHNXCESA-N	-1	0	288.395	2.696	20	30		CFEDRM
C[C@@H]1C[C@@H](CC(=O)Nc2nc(C#N)c(C#N)[n-]2)CC(C)(C)C1	ZINC000067150936	525226570	/nfs/dbraw/zinc/22/65/70/525226570.db2.gz	ZWAPRNBOLNTQRK-MNOVXSKESA-N	-1	0	299.378	2.944	20	30		CFEDRM
Cc1n[nH]cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1	ZINC000347583183	534850052	/nfs/dbraw/zinc/85/00/52/534850052.db2.gz	UMMUQISADYNMLU-SECBINFHSA-N	-1	0	294.236	2.622	20	30		CFEDRM
Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1F	ZINC000049487760	526009615	/nfs/dbraw/zinc/00/96/15/526009615.db2.gz	VIZNOPDDAASAAX-UHFFFAOYSA-N	-1	0	290.319	2.807	20	30		CFEDRM
N#Cc1ccccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000339406536	526734947	/nfs/dbraw/zinc/73/49/47/526734947.db2.gz	JCUQCFRKHMCFQO-AATRIKPKSA-N	-1	0	295.254	2.730	20	30		CFEDRM
C=CCCCN(C)C(=O)N=c1[n-]nc(SCC)s1	ZINC000347330446	527182681	/nfs/dbraw/zinc/18/26/81/527182681.db2.gz	LRGHYJWMNLFQFR-UHFFFAOYSA-N	-1	0	286.426	2.502	20	30		CFEDRM
CC(C)n1ncc(C([O-])=C(C#N)c2ccncn2)c1C1CC1	ZINC000354461690	528653004	/nfs/dbraw/zinc/65/30/04/528653004.db2.gz	GGLAKRWOZGCHIV-GFCCVEGCSA-N	-1	0	295.346	2.621	20	30		CFEDRM
CCC(CC)n1ccc(C([O-])=C(C#N)c2ccncn2)n1	ZINC000354472707	528896508	/nfs/dbraw/zinc/89/65/08/528896508.db2.gz	PHTMTFLDGPKNJV-LBPRGKRZSA-N	-1	0	283.335	2.524	20	30		CFEDRM
CCc1cnc(/C=C\c2nc(C(=O)[O-])ccc2C#N)s1	ZINC000342219763	536020415	/nfs/dbraw/zinc/02/04/15/536020415.db2.gz	JXVOFZZZLXSZOG-WAYWQWQTSA-N	-1	0	285.328	2.841	20	30		CFEDRM
CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])CCO1	ZINC000935108203	649876394	/nfs/dbraw/zinc/87/63/94/649876394.db2.gz	NKUFBFZZSJNVFY-WFASDCNBSA-N	-1	0	288.347	2.654	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc(-c2ccncc2)cs1	ZINC000744062271	574051837	/nfs/dbraw/zinc/05/18/37/574051837.db2.gz	HWEXHQGHNXUTTE-GFCCVEGCSA-N	-1	0	297.339	2.686	20	30		CFEDRM
N#CC(=C([O-])C1=COCC1)c1nc2cc(F)ccc2s1	ZINC000744114693	574054620	/nfs/dbraw/zinc/05/46/20/574054620.db2.gz	BVTHIRNRTQCUHD-SNVBAGLBSA-N	-1	0	288.303	2.916	20	30		CFEDRM
N#CC1(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCC1	ZINC000740309083	574055594	/nfs/dbraw/zinc/05/55/94/574055594.db2.gz	DIQWDBUZDYZRLL-UHFFFAOYSA-N	-1	0	277.255	2.548	20	30		CFEDRM
COCc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1	ZINC000737835195	574060806	/nfs/dbraw/zinc/06/08/06/574060806.db2.gz	UQTRTOLXTKVYDC-MRXNPFEDSA-N	-1	0	296.326	2.942	20	30		CFEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)c1cccc(C#N)c1	ZINC000736695396	574067593	/nfs/dbraw/zinc/06/75/93/574067593.db2.gz	BSVMAFLNPITILJ-JTQLQIEISA-N	-1	0	296.282	2.569	20	30		CFEDRM
C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000736772639	574071609	/nfs/dbraw/zinc/07/16/09/574071609.db2.gz	GSPOMHIGJXKBIZ-YMTOWFKASA-N	-1	0	292.360	2.649	20	30		CFEDRM
CCC(CC)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000736899938	574085331	/nfs/dbraw/zinc/08/53/31/574085331.db2.gz	MRVORVKBFBDTBJ-UHFFFAOYSA-N	-1	0	273.336	2.978	20	30		CFEDRM
CCc1oc2ccccc2c1C=NNc1nnc(C)c(=O)[n-]1	ZINC000730544715	574087062	/nfs/dbraw/zinc/08/70/62/574087062.db2.gz	XTXWCCSVEJZOKX-UHFFFAOYSA-N	-1	0	297.318	2.640	20	30		CFEDRM
C=CCCC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2	ZINC000738488331	574091002	/nfs/dbraw/zinc/09/10/02/574091002.db2.gz	JFXIBBBNJJMXBG-UHFFFAOYSA-N	-1	0	274.320	2.627	20	30		CFEDRM
CCCC[C@@H](Sc1ncccc1C#N)C(=O)[O-]	ZINC000736984018	574091418	/nfs/dbraw/zinc/09/14/18/574091418.db2.gz	DNMHAZQLACRUAS-SNVBAGLBSA-N	-1	0	250.323	2.689	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)[C@@H](CCC)NC(=O)[O-]	ZINC000738492460	574095307	/nfs/dbraw/zinc/09/53/07/574095307.db2.gz	RPWDSXVJGAELOW-GFCCVEGCSA-N	-1	0	296.392	2.699	20	30		CFEDRM
CCOc1ccc(O)c(/C=N\Cc2ccc(C(=O)[O-])o2)c1	ZINC000737203124	574118278	/nfs/dbraw/zinc/11/82/78/574118278.db2.gz	IXGBHLCFSKXOSP-PXNMLYILSA-N	-1	0	289.287	2.701	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/Cc2ccc(C(=O)[O-])o2)c1	ZINC000737203123	574118297	/nfs/dbraw/zinc/11/82/97/574118297.db2.gz	IXGBHLCFSKXOSP-LZYBPNLTSA-N	-1	0	289.287	2.701	20	30		CFEDRM
CCOc1ccc(O)c(/C=N/C[C@H](CC(C)C)C(=O)[O-])c1	ZINC000737203663	574118299	/nfs/dbraw/zinc/11/82/99/574118299.db2.gz	RBOUFVSMRSDPGX-YRUBURHZSA-N	-1	0	293.363	2.957	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cncc(F)c1	ZINC000737427349	574140734	/nfs/dbraw/zinc/14/07/34/574140734.db2.gz	KRYVJTGOJJNJRI-UHFFFAOYSA-N	-1	0	273.267	2.755	20	30		CFEDRM
COc1ccc(C(=O)[O-])c(NCc2ccccc2C#N)c1	ZINC000737940074	574154885	/nfs/dbraw/zinc/15/48/85/574154885.db2.gz	QWOVWBCLPZLIIE-UHFFFAOYSA-N	-1	0	282.299	2.877	20	30		CFEDRM
COc1cccc(/C=N/C[C@H](CC(C)C)C(=O)[O-])c1O	ZINC000738094714	574157763	/nfs/dbraw/zinc/15/77/63/574157763.db2.gz	BJPHEUQICHQTIG-WIJRQFRKSA-N	-1	0	279.336	2.567	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000732529910	574160186	/nfs/dbraw/zinc/16/01/86/574160186.db2.gz	BXGKVEGMYHBJCZ-ARJAWSKDSA-N	-1	0	276.317	2.559	20	30		CFEDRM
CCn1cc(/C=C/C(=O)c2ccc(O)c(C)c2)cn1	ZINC000732530835	574160476	/nfs/dbraw/zinc/16/04/76/574160476.db2.gz	SZIKHPFBXLBDGS-GQCTYLIASA-N	-1	0	256.305	2.813	20	30		CFEDRM
O=C([O-])c1cccc(NN=Cc2ccc3c[nH]nc3c2)c1	ZINC000755472246	574164120	/nfs/dbraw/zinc/16/41/20/574164120.db2.gz	NZQCXHGYFVTULD-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
Cc1ccc(F)c2c1C(=NNc1ccccc1)C(=O)N2	ZINC000732709439	574166681	/nfs/dbraw/zinc/16/66/81/574166681.db2.gz	ACDSKDASIBDHOB-UHFFFAOYSA-N	-1	0	269.279	2.902	20	30		CFEDRM
N#C[C@@H](C(=O)C=CC1CCOCC1)c1nc2ccccc2[nH]1	ZINC000732708972	574166786	/nfs/dbraw/zinc/16/67/86/574166786.db2.gz	WFIOVWAUJOTXAT-SZZPACECSA-N	-1	0	295.342	2.722	20	30		CFEDRM
N#Cc1cccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1	ZINC000738435528	574168916	/nfs/dbraw/zinc/16/89/16/574168916.db2.gz	YRPWFKBYDVDTNC-UHFFFAOYSA-N	-1	0	282.255	2.867	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000738489134	574170630	/nfs/dbraw/zinc/17/06/30/574170630.db2.gz	QWHPTBNLDGOAIS-SNVBAGLBSA-N	-1	0	289.335	2.813	20	30		CFEDRM
Cc1cccc2ncc(C=NNc3ccccc3C(=O)[O-])n21	ZINC000755601676	574170995	/nfs/dbraw/zinc/17/09/95/574170995.db2.gz	QLVHLLKGODULFE-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
O=C([O-])c1csc(C=NOCc2ccccc2)c1	ZINC000755631521	574173315	/nfs/dbraw/zinc/17/33/15/574173315.db2.gz	IISSPBKXGHRPEM-UHFFFAOYSA-N	-1	0	261.302	2.997	20	30		CFEDRM
Cc1cccc(C[C@@H](CNc2ncccc2C#N)C(=O)[O-])c1	ZINC000738707214	574181620	/nfs/dbraw/zinc/18/16/20/574181620.db2.gz	GSRWNKRKKLAPKZ-HNNXBMFYSA-N	-1	0	295.342	2.617	20	30		CFEDRM
Cc1cccc(C[C@H](CNc2ccc(C#N)cn2)C(=O)[O-])c1	ZINC000738707985	574181689	/nfs/dbraw/zinc/18/16/89/574181689.db2.gz	NRHKEWWKQQHSPO-OAHLLOKOSA-N	-1	0	295.342	2.617	20	30		CFEDRM
COc1ccc(NN=Cc2cc(C(=O)[O-])cs2)cc1	ZINC000755802324	574188637	/nfs/dbraw/zinc/18/86/37/574188637.db2.gz	UNGBSCWUOWACIS-UHFFFAOYSA-N	-1	0	276.317	2.901	20	30		CFEDRM
C[C@@H](CCNc1cc(Cl)ccc1C#N)NC(=O)[O-]	ZINC000738908995	574190260	/nfs/dbraw/zinc/19/02/60/574190260.db2.gz	YWPYRVKURSJCJB-QMMMGPOBSA-N	-1	0	267.716	2.670	20	30		CFEDRM
Cc1noc(C)c1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000738939541	574190600	/nfs/dbraw/zinc/19/06/00/574190600.db2.gz	DOFHTRZBBWDGCU-BJOHPYRUSA-N	-1	0	299.330	2.640	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NO[C@@H]1CCCCO1	ZINC000755825108	574190861	/nfs/dbraw/zinc/19/08/61/574190861.db2.gz	UCSLRIYKEAIHIG-LLVKDONJSA-N	-1	0	255.701	2.923	20	30		CFEDRM
C[C@@H](SCCCOc1ccc(C#N)cc1)C(=O)[O-]	ZINC000739058328	574195623	/nfs/dbraw/zinc/19/56/23/574195623.db2.gz	ZHRLKNFXNNWVBY-SNVBAGLBSA-N	-1	0	265.334	2.533	20	30		CFEDRM
N#Cc1cccc(OCCNc2cccc(C(=O)[O-])c2)c1	ZINC000739139109	574199626	/nfs/dbraw/zinc/19/96/26/574199626.db2.gz	DSQSGJXICZHQNT-UHFFFAOYSA-N	-1	0	282.299	2.747	20	30		CFEDRM
N#Cc1ccccc1COc1ccc(C(=O)[O-])cc1C=O	ZINC000739146390	574199681	/nfs/dbraw/zinc/19/96/81/574199681.db2.gz	CQJMDLJYWUGUDV-UHFFFAOYSA-N	-1	0	281.267	2.648	20	30		CFEDRM
C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1NC(=O)[O-]	ZINC000739193925	574200420	/nfs/dbraw/zinc/20/04/20/574200420.db2.gz	PUCRUAGQOKCAIE-NOZJJQNGSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1NC(=O)[O-]	ZINC000739189406	574200425	/nfs/dbraw/zinc/20/04/25/574200425.db2.gz	DLBCOKXSJDPRJA-JOYOIKCWSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1NC(=O)[O-]	ZINC000739193927	574200561	/nfs/dbraw/zinc/20/05/61/574200561.db2.gz	PUCRUAGQOKCAIE-TVQRCGJNSA-N	-1	0	293.754	2.694	20	30		CFEDRM
O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1	ZINC000733205335	574210925	/nfs/dbraw/zinc/21/09/25/574210925.db2.gz	RULXPYBQYJXTKM-RUDMXATFSA-N	-1	0	298.294	2.752	20	30		CFEDRM
CCOc1ccc(/C=N/C[C@@H](NC(=O)[O-])C(C)C)c(O)c1	ZINC000739498131	574215352	/nfs/dbraw/zinc/21/53/52/574215352.db2.gz	QMKNIAJRCFTVKD-WJHGTXIHSA-N	-1	0	294.351	2.502	20	30		CFEDRM
CN(C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1)C(=O)[O-]	ZINC000739664490	574221964	/nfs/dbraw/zinc/22/19/64/574221964.db2.gz	RESJFZRRACRQKC-JTQLQIEISA-N	-1	0	293.754	2.648	20	30		CFEDRM
C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(C#N)ccc2[O-])C1	ZINC000748005436	574224237	/nfs/dbraw/zinc/22/42/37/574224237.db2.gz	KKASLFUHEWNMLC-DGCLKSJQSA-N	-1	0	288.347	2.798	20	30		CFEDRM
O=C([O-])Nc1cccc(C(=O)OCC#Cc2ccccc2)c1	ZINC000740035737	574233276	/nfs/dbraw/zinc/23/32/76/574233276.db2.gz	FWRFJXYJPFGLHN-UHFFFAOYSA-N	-1	0	295.294	2.985	20	30		CFEDRM
O=C([O-])c1ccc(C/N=C/c2cc(Cl)ccc2O)o1	ZINC000740125819	574237443	/nfs/dbraw/zinc/23/74/43/574237443.db2.gz	OVDAWCSADTUKLE-GIDUJCDVSA-N	-1	0	279.679	2.956	20	30		CFEDRM
O=C([O-])c1ccccc1C=NN=c1[nH]c2ccccc2[nH]1	ZINC000740240631	574244010	/nfs/dbraw/zinc/24/40/10/574244010.db2.gz	XFQXGJSHSFCUAD-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
N#CCCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)[O-]	ZINC000740306149	574246188	/nfs/dbraw/zinc/24/61/88/574246188.db2.gz	DEWISLAFLOSVJD-AGIUHOORSA-N	-1	0	294.351	2.535	20	30		CFEDRM
N#Cc1ccc(OC(=O)c2ccc(CNC(=O)[O-])cc2)cc1	ZINC000740318908	574246610	/nfs/dbraw/zinc/24/66/10/574246610.db2.gz	HYOMQESOLZIHFU-UHFFFAOYSA-N	-1	0	296.282	2.545	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1	ZINC000740312614	574246724	/nfs/dbraw/zinc/24/67/24/574246724.db2.gz	JDQYTQXDMZIGQQ-UHFFFAOYSA-N	-1	0	295.298	2.578	20	30		CFEDRM
N#Cc1ccc(NC[C@H]2CCCCN2C(=O)[O-])c(F)c1	ZINC000740319833	574246939	/nfs/dbraw/zinc/24/69/39/574246939.db2.gz	ZLCOTVCYVVOGHF-LLVKDONJSA-N	-1	0	277.299	2.642	20	30		CFEDRM
N#Cc1cnc(NC[C@@H]2CCCCN2C(=O)[O-])c(Cl)c1	ZINC000740322217	574247352	/nfs/dbraw/zinc/24/73/52/574247352.db2.gz	STHZWRXGXLRTCA-JTQLQIEISA-N	-1	0	294.742	2.551	20	30		CFEDRM
O=C([O-])N1CC(N=Nc2nc(-c3ccccc3)cs2)C1	ZINC000740488157	574250616	/nfs/dbraw/zinc/25/06/16/574250616.db2.gz	FMZCOXGBZVJVQR-UHFFFAOYSA-N	-1	0	288.332	2.572	20	30		CFEDRM
C[C@H](Oc1ccccc1)C(=O)Nc1cc(C#N)ccc1[O-]	ZINC000748410634	574251319	/nfs/dbraw/zinc/25/13/19/574251319.db2.gz	BHBXJYGNGCQDQE-NSHDSACASA-N	-1	0	282.299	2.670	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=Cc1cccc(C#N)c1	ZINC000756901644	574271423	/nfs/dbraw/zinc/27/14/23/574271423.db2.gz	UNYWAZPQLGMJMA-UHFFFAOYSA-N	-1	0	295.298	2.711	20	30		CFEDRM
CC(C)[C@@H](CNc1ccc(Cl)cc1C#N)NC(=O)[O-]	ZINC000738789874	574292204	/nfs/dbraw/zinc/29/22/04/574292204.db2.gz	PGSVQRRJMYVERH-GFCCVEGCSA-N	-1	0	281.743	2.916	20	30		CFEDRM
Cc1ccc(NN=Cc2cc(F)c([O-])c(F)c2)nc1	ZINC000749855797	574312995	/nfs/dbraw/zinc/31/29/95/574312995.db2.gz	UYLKROFJJLRGJP-UHFFFAOYSA-N	-1	0	263.247	2.820	20	30		CFEDRM
Cc1ncsc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000742432967	574330500	/nfs/dbraw/zinc/33/05/00/574330500.db2.gz	KZQQRQSZNDLXNQ-SREVYHEPSA-N	-1	0	287.340	2.975	20	30		CFEDRM
C=CCCCN(C)C(=O)c1ccccc1NC(=O)[O-]	ZINC000736102537	574350279	/nfs/dbraw/zinc/35/02/79/574350279.db2.gz	NUHRRPXZRFDRFG-UHFFFAOYSA-N	-1	0	262.309	2.815	20	30		CFEDRM
C#CCOc1ccccc1OCc1ccc(C(=O)[O-])o1	ZINC000736087961	574350336	/nfs/dbraw/zinc/35/03/36/574350336.db2.gz	OVFGCUVJXFUQMM-UHFFFAOYSA-N	-1	0	272.256	2.569	20	30		CFEDRM
C#Cc1cccc(N(CC)Cc2occc2C(=O)[O-])c1	ZINC000736090748	574350635	/nfs/dbraw/zinc/35/06/35/574350635.db2.gz	JHRFAXGAQWJCAE-UHFFFAOYSA-N	-1	0	269.300	2.986	20	30		CFEDRM
C=C(Cl)CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-]	ZINC000736094430	574350693	/nfs/dbraw/zinc/35/06/93/574350693.db2.gz	FXUXGSDNUREXCN-SECBINFHSA-N	-1	0	299.779	2.734	20	30		CFEDRM
C=C(C)CNC(=S)Nc1ccc(CCC(=O)[O-])cc1	ZINC000736094418	574350724	/nfs/dbraw/zinc/35/07/24/574350724.db2.gz	FNQFJYHELGETOY-UHFFFAOYSA-N	-1	0	278.377	2.566	20	30		CFEDRM
C#Cc1cccc(N(Cc2ccco2)C(=O)CCC(=O)[O-])c1	ZINC000736090711	574350743	/nfs/dbraw/zinc/35/07/43/574350743.db2.gz	HWTZZGYHWRAYIN-UHFFFAOYSA-N	-1	0	297.310	2.659	20	30		CFEDRM
C=CCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1	ZINC000736098061	574351303	/nfs/dbraw/zinc/35/13/03/574351303.db2.gz	QLHVDIFOXCCLIX-UHFFFAOYSA-N	-1	0	262.309	2.701	20	30		CFEDRM
C[C@H](C#N)CN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1	ZINC000736200996	574354196	/nfs/dbraw/zinc/35/41/96/574354196.db2.gz	FHRRPTDCAJHPFU-MRVPVSSYSA-N	-1	0	294.286	2.539	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])cc1C=NNCCCc1ccccc1	ZINC000751133662	574369800	/nfs/dbraw/zinc/36/98/00/574369800.db2.gz	QLNVHLZAWOWLAI-UHFFFAOYSA-N	-1	0	299.330	2.857	20	30		CFEDRM
O=C1c2ccccc2OC/C1=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000751205756	574371919	/nfs/dbraw/zinc/37/19/19/574371919.db2.gz	SVXQWFQTEITLNU-XFFZJAGNSA-N	-1	0	297.266	2.959	20	30		CFEDRM
CCc1ncc(C=NNc2ccccc2C(=O)[O-])s1	ZINC000752162959	574388627	/nfs/dbraw/zinc/38/86/27/574388627.db2.gz	KFGGLISOXAAMEY-UHFFFAOYSA-N	-1	0	275.333	2.850	20	30		CFEDRM
C=CCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CC1	ZINC000752570282	574392833	/nfs/dbraw/zinc/39/28/33/574392833.db2.gz	DGTIYLPEDDUDLR-LLVKDONJSA-N	-1	0	264.281	2.825	20	30		CFEDRM
Cc1nnc(NN=C2CC[C@H](C)c3ccccc32)[n-]c1=O	ZINC000752722438	574393899	/nfs/dbraw/zinc/39/38/99/574393899.db2.gz	NJONJQKEAMMUMK-VIFPVBQESA-N	-1	0	283.335	2.599	20	30		CFEDRM
C=CCn1c(C)nnc1SCc1ccc(C(=O)[O-])cc1	ZINC000013354802	597296696	/nfs/dbraw/zinc/29/66/96/597296696.db2.gz	OXJWWGAYFUYZMI-UHFFFAOYSA-N	-1	0	289.360	2.763	20	30		CFEDRM
C=C(C)CN(CC)C(=O)Nc1ccccc1CC(=O)[O-]	ZINC000053200794	597332826	/nfs/dbraw/zinc/33/28/26/597332826.db2.gz	FUEDUWCMYRZXHN-UHFFFAOYSA-N	-1	0	276.336	2.744	20	30		CFEDRM
CCc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1C	ZINC000820474297	597609708	/nfs/dbraw/zinc/60/97/08/597609708.db2.gz	MNPVXVFBNDOYFR-HNNXBMFYSA-N	-1	0	274.320	2.501	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCC1CCCCC1	ZINC000819865726	597621017	/nfs/dbraw/zinc/62/10/17/597621017.db2.gz	OATJLIYBCMHTGM-AWEZNQCLSA-N	-1	0	267.325	2.505	20	30		CFEDRM
C[C@@](C#N)(CC(=O)[O-])C(=O)OCCCC1CCCC1	ZINC000819865878	597621506	/nfs/dbraw/zinc/62/15/06/597621506.db2.gz	PGIZGTCQFZGCDD-AWEZNQCLSA-N	-1	0	267.325	2.505	20	30		CFEDRM
N#Cc1c(NCc2cccc(C(=O)[O-])c2)nc2ccccn21	ZINC000821324752	597719563	/nfs/dbraw/zinc/71/95/63/597719563.db2.gz	MOZHEUYWDDKGFF-UHFFFAOYSA-N	-1	0	292.298	2.516	20	30		CFEDRM
Cc1ccc(-c2ncc(C=NNCCC(=O)[O-])s2)cc1	ZINC000821052762	597739253	/nfs/dbraw/zinc/73/92/53/597739253.db2.gz	VHNNYJFMCPGJPN-UHFFFAOYSA-N	-1	0	289.360	2.517	20	30		CFEDRM
C[C@@H](C=NNCCC(=O)[O-])c1cccc(Br)c1	ZINC000820072560	597741346	/nfs/dbraw/zinc/74/13/46/597741346.db2.gz	SZFUTAJPVBLXAO-VIFPVBQESA-N	-1	0	299.168	2.603	20	30		CFEDRM
C[C@@H](NN=C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000814815146	598097044	/nfs/dbraw/zinc/09/70/44/598097044.db2.gz	OKDOQUFHNIGWNG-JTDNENJMSA-N	-1	0	260.337	2.968	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000050162154	598134836	/nfs/dbraw/zinc/13/48/36/598134836.db2.gz	UWIHQYFQQATLBL-UHFFFAOYSA-N	-1	0	280.283	2.703	20	30		CFEDRM
N#Cc1ccsc1NC(=O)c1cccc(C(=O)[O-])c1	ZINC000821340563	598150654	/nfs/dbraw/zinc/15/06/54/598150654.db2.gz	NMRAPJVFASHTSN-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2)s1	ZINC000042317733	620641407	/nfs/dbraw/zinc/64/14/07/620641407.db2.gz	GSNGBVBCAWTWMN-UHFFFAOYSA-N	-1	0	299.348	2.889	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cncc(F)c2)c1	ZINC000774130058	598201708	/nfs/dbraw/zinc/20/17/08/598201708.db2.gz	IZZJEHRPFQCBPM-PLNGDYQASA-N	-1	0	271.247	2.815	20	30		CFEDRM
C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC2(CCCCC2)CC1	ZINC000819810627	598226169	/nfs/dbraw/zinc/22/61/69/598226169.db2.gz	DJBRFMWWEDHMNC-OAHLLOKOSA-N	-1	0	292.379	2.564	20	30		CFEDRM
C[C@H](CCC1CCCCC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-]	ZINC000820095486	598227649	/nfs/dbraw/zinc/22/76/49/598227649.db2.gz	FHKGRHINCKKXNM-MLGOLLRUSA-N	-1	0	294.395	2.856	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000163169806	600268451	/nfs/dbraw/zinc/26/84/51/600268451.db2.gz	ZDUQNJJKPKLNFB-MRVPVSSYSA-N	-1	0	266.272	2.610	20	30		CFEDRM
N#Cc1ccc(OCc2occc2C(=O)[O-])cc1F	ZINC000124334392	599968759	/nfs/dbraw/zinc/96/87/59/599968759.db2.gz	WNKCWSZCMCXEFX-UHFFFAOYSA-N	-1	0	261.208	2.568	20	30		CFEDRM
C=CCN(CC=C)C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC000041139365	600036640	/nfs/dbraw/zinc/03/66/40/600036640.db2.gz	FGTYQWCLTBYLGE-UHFFFAOYSA-N	-1	0	273.332	2.518	20	30		CFEDRM
C=CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1	ZINC000315532084	600430825	/nfs/dbraw/zinc/43/08/25/600430825.db2.gz	GRLVILRZFTYMPX-UHFFFAOYSA-N	-1	0	298.298	2.597	20	30		CFEDRM
C[C@@H](CSCc1ccc(F)cc1C#N)C(=O)[O-]	ZINC000086109630	600597829	/nfs/dbraw/zinc/59/78/29/600597829.db2.gz	LXRWFWZHRXDRDZ-QMMMGPOBSA-N	-1	0	253.298	2.651	20	30		CFEDRM
C=CCOCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-]	ZINC000825698836	600963881	/nfs/dbraw/zinc/96/38/81/600963881.db2.gz	NAPSBHRJWJLHRZ-UHFFFAOYSA-N	-1	0	297.376	2.984	20	30		CFEDRM
Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000080169874	601066881	/nfs/dbraw/zinc/06/68/81/601066881.db2.gz	DFARALIAIWTMNG-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000061984405	601111772	/nfs/dbraw/zinc/11/17/72/601111772.db2.gz	SSRPEEUNYBMOTN-UHFFFAOYSA-N	-1	0	280.283	2.533	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc(OCCC(=O)[O-])cc1	ZINC000833077027	601225755	/nfs/dbraw/zinc/22/57/55/601225755.db2.gz	VZTQTFDHTPAZKS-UHFFFAOYSA-N	-1	0	283.287	2.550	20	30		CFEDRM
C#CCN(CC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000164765811	601243273	/nfs/dbraw/zinc/24/32/73/601243273.db2.gz	UVRFYUIKTQGQSZ-UHFFFAOYSA-N	-1	0	280.711	2.525	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)s1	ZINC000833071604	601276824	/nfs/dbraw/zinc/27/68/24/601276824.db2.gz	JTSQECUWIWVPHH-UHFFFAOYSA-N	-1	0	290.275	2.709	20	30		CFEDRM
N#Cc1cccc([C@H](Nc2ccc3c(c2)OCO3)C(=O)[O-])c1	ZINC000833076125	601298035	/nfs/dbraw/zinc/29/80/35/601298035.db2.gz	QMYZFFUURDPLNM-HNNXBMFYSA-N	-1	0	296.282	2.525	20	30		CFEDRM
COc1cc(C)ccc1C(=O)/C=C/c1ccc(C(=O)[O-])[nH]1	ZINC000831967464	601330824	/nfs/dbraw/zinc/33/08/24/601330824.db2.gz	YUIJINZTZOPUMU-VMPITWQZSA-N	-1	0	285.299	2.926	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)ccc1O	ZINC000832859242	601331728	/nfs/dbraw/zinc/33/17/28/601331728.db2.gz	MYCGUILHHDBATP-DAXSKMNVSA-N	-1	0	271.272	2.623	20	30		CFEDRM
Cc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000832976811	601344349	/nfs/dbraw/zinc/34/43/49/601344349.db2.gz	FHQACFCJCHDDFU-OAHLLOKOSA-N	-1	0	295.294	2.849	20	30		CFEDRM
Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)o1	ZINC000832869099	601344441	/nfs/dbraw/zinc/34/44/41/601344441.db2.gz	YHNNFVCVILOTMF-AWEZNQCLSA-N	-1	0	299.282	2.751	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)c2cccs2)C(=O)[O-])c1	ZINC000833077594	601345552	/nfs/dbraw/zinc/34/55/52/601345552.db2.gz	XEWLFHIWVMBOSW-GFCCVEGCSA-N	-1	0	287.296	2.602	20	30		CFEDRM
N#Cc1cccc([C@@H](OC(=O)c2ccccc2)C(=O)[O-])c1	ZINC000833077385	601345629	/nfs/dbraw/zinc/34/56/29/601345629.db2.gz	QSMNEUSUERHLMF-CQSZACIVSA-N	-1	0	281.267	2.541	20	30		CFEDRM
CC(C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826677807	601353416	/nfs/dbraw/zinc/35/34/16/601353416.db2.gz	ZTVOXGDGXOEURD-GWCFXTLKSA-N	-1	0	275.304	2.519	20	30		CFEDRM
CC(C)=C(C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1	ZINC000826642464	601355595	/nfs/dbraw/zinc/35/55/95/601355595.db2.gz	ZUDKGNPZLUATCX-ZDUSSCGKSA-N	-1	0	273.288	2.583	20	30		CFEDRM
N#Cc1cccc([C@H](OC(=O)[C@H]2CC23CCCC3)C(=O)[O-])c1	ZINC000833076280	601355709	/nfs/dbraw/zinc/35/57/09/601355709.db2.gz	SYVFXDPHIDTZTM-KGLIPLIRSA-N	-1	0	299.326	2.807	20	30		CFEDRM
Cc1cc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)o1	ZINC000832872183	601355721	/nfs/dbraw/zinc/35/57/21/601355721.db2.gz	KRCHVSDTUFYRKN-CQSZACIVSA-N	-1	0	299.282	2.751	20	30		CFEDRM
Cc1oc(C(=O)[O-])cc1CNc1cccc(OCC#N)c1	ZINC000833024986	601390649	/nfs/dbraw/zinc/39/06/49/601390649.db2.gz	ASMJGMHTBVIYRM-UHFFFAOYSA-N	-1	0	286.287	2.801	20	30		CFEDRM
CCc1oc(C(=O)[O-])cc1CN(CC)C[C@@H](C)C#N	ZINC000830363049	601413572	/nfs/dbraw/zinc/41/35/72/601413572.db2.gz	NMIXNZIWMDLWGT-JTQLQIEISA-N	-1	0	264.325	2.522	20	30		CFEDRM
C/C(=C/CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-]	ZINC000825741369	601429165	/nfs/dbraw/zinc/42/91/65/601429165.db2.gz	MHCVLNLOXQHWPX-WTEYMAAXSA-N	-1	0	284.359	2.789	20	30		CFEDRM
C/C(=C/CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-]	ZINC000825741367	601429456	/nfs/dbraw/zinc/42/94/56/601429456.db2.gz	MHCVLNLOXQHWPX-KTDOTMJKSA-N	-1	0	284.359	2.789	20	30		CFEDRM
C=CCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21	ZINC000825665260	601437553	/nfs/dbraw/zinc/43/75/53/601437553.db2.gz	XOBHTGQCBKAFJA-GFCCVEGCSA-N	-1	0	273.332	2.948	20	30		CFEDRM
C=CCCCc1nc(-c2cccc(C(=O)[O-])c2)no1	ZINC000825671498	601472267	/nfs/dbraw/zinc/47/22/67/601472267.db2.gz	RKEZOZAQFQSCMY-UHFFFAOYSA-N	-1	0	258.277	2.944	20	30		CFEDRM
C[C@@H]1CC/C(=C\C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1	ZINC000828206575	601568777	/nfs/dbraw/zinc/56/87/77/601568777.db2.gz	AXPDNFFFMJYDIW-DHQBTWJTSA-N	-1	0	299.326	2.974	20	30		CFEDRM
C=C(Cl)COC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1	ZINC000825647090	601681428	/nfs/dbraw/zinc/68/14/28/601681428.db2.gz	DSHLWRUZDLYVBQ-UHFFFAOYSA-N	-1	0	298.722	2.676	20	30		CFEDRM
C[C@H](OC(=O)c1cc(C#N)cs1)c1ccc(C(=O)[O-])o1	ZINC000827843079	601683154	/nfs/dbraw/zinc/68/31/54/601683154.db2.gz	CCLMFBINMNZIEE-ZETCQYMHSA-N	-1	0	291.284	2.829	20	30		CFEDRM
Cc1nn(Cc2ccc(C#N)cc2)c(C)c1[C@H](C)C(=O)[O-]	ZINC000833016723	601779764	/nfs/dbraw/zinc/77/97/64/601779764.db2.gz	DGDBQWNPXASKGI-JTQLQIEISA-N	-1	0	283.331	2.608	20	30		CFEDRM
Cc1cc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)ccc1O	ZINC000832858866	601793199	/nfs/dbraw/zinc/79/31/99/601793199.db2.gz	JMKINFFOFXODCB-RQOWECAXSA-N	-1	0	271.272	2.623	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2ccc3c(c2)COC3)c[nH]1	ZINC000833092730	601794173	/nfs/dbraw/zinc/79/41/73/601794173.db2.gz	LUIFEKPHJAKWMZ-RJRFIUFISA-N	-1	0	283.283	2.639	20	30		CFEDRM
O=C([O-])c1ccc(/C=C/C(=O)c2ccccc2F)[nH]1	ZINC000833312008	601826061	/nfs/dbraw/zinc/82/60/61/601826061.db2.gz	HOBGZCSUQDACKX-SOFGYWHQSA-N	-1	0	259.236	2.748	20	30		CFEDRM
C[C@@H](Oc1ccc(C=NNCc2ccccc2)cc1)C(=O)[O-]	ZINC000794876934	602069814	/nfs/dbraw/zinc/06/98/14/602069814.db2.gz	AOZHICZTOPDZNW-CYBMUJFWSA-N	-1	0	298.342	2.662	20	30		CFEDRM
C#CCCCCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC	ZINC000825605508	602210369	/nfs/dbraw/zinc/21/03/69/602210369.db2.gz	HRDBYRPZPQBAIU-UHFFFAOYSA-N	-1	0	290.363	2.507	20	30		CFEDRM
C=CCC(CC=C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1	ZINC000825664656	602283655	/nfs/dbraw/zinc/28/36/55/602283655.db2.gz	HLRMVEWGDDPSJF-OAHLLOKOSA-N	-1	0	299.326	2.996	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1ncc(C(=O)[O-])s1	ZINC000825665296	602290932	/nfs/dbraw/zinc/29/09/32/602290932.db2.gz	YEHQKIJGSVUGKM-UHFFFAOYSA-N	-1	0	266.322	2.548	20	30		CFEDRM
CCC(=CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)CC	ZINC000828549746	602347436	/nfs/dbraw/zinc/34/74/36/602347436.db2.gz	PIIPXKDJMYYZNB-OAHLLOKOSA-N	-1	0	287.315	2.974	20	30		CFEDRM
C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC000236464027	602372302	/nfs/dbraw/zinc/37/23/02/602372302.db2.gz	ZXGRRQURBQAKMA-UHFFFAOYSA-N	-1	0	278.283	2.730	20	30		CFEDRM
O=C([O-])NC1CCC(=NOCc2ccccc2)CC1	ZINC000167305069	602456728	/nfs/dbraw/zinc/45/67/28/602456728.db2.gz	LWICHJSBDNIGIG-UHFFFAOYSA-N	-1	0	262.309	2.769	20	30		CFEDRM
C[C@H](CCNc1c(Cl)cccc1C#N)NC(=O)[O-]	ZINC000824803671	603182830	/nfs/dbraw/zinc/18/28/30/603182830.db2.gz	TVDCBTAZBPHCKO-MRVPVSSYSA-N	-1	0	267.716	2.670	20	30		CFEDRM
CN(C(=O)[O-])C1CCN(c2c(Cl)cccc2C#N)CC1	ZINC000827896823	603187751	/nfs/dbraw/zinc/18/77/51/603187751.db2.gz	WKOPANIMYAXDCA-UHFFFAOYSA-N	-1	0	293.754	2.790	20	30		CFEDRM
N#Cc1cc(F)ccc1NC1CCC(NC(=O)[O-])CC1	ZINC000831118341	603191614	/nfs/dbraw/zinc/19/16/14/603191614.db2.gz	VUBSBQMQPDCKLE-UHFFFAOYSA-N	-1	0	277.299	2.688	20	30		CFEDRM
N#Cc1cc(F)ccc1N[C@H]1CCCC[C@@H]1CNC(=O)[O-]	ZINC000831118422	603197939	/nfs/dbraw/zinc/19/79/39/603197939.db2.gz	YMLTUHGLCZKIJF-MFKMUULPSA-N	-1	0	291.326	2.936	20	30		CFEDRM
C#C[C@@H](C)OC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC	ZINC000823440581	603456108	/nfs/dbraw/zinc/45/61/08/603456108.db2.gz	AGEHZDYJLBPFES-SSDOTTSWSA-N	-1	0	297.694	2.617	20	30		CFEDRM
N#Cc1ccc(N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1	ZINC000831132002	603492323	/nfs/dbraw/zinc/49/23/23/603492323.db2.gz	JQCBXDZEFHHUFC-UHFFFAOYSA-N	-1	0	299.374	2.917	20	30		CFEDRM
C=C(C)CCOC(=O)Cc1ccc(NC(=O)[O-])cc1	ZINC000823473363	603518305	/nfs/dbraw/zinc/51/83/05/603518305.db2.gz	DHZJKWXUMXMLOF-UHFFFAOYSA-N	-1	0	263.293	2.828	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000823496845	603657194	/nfs/dbraw/zinc/65/71/94/603657194.db2.gz	QDADIWNJQQKRLY-STQMWFEESA-N	-1	0	282.384	2.628	20	30		CFEDRM
C#Cc1ccc(NC(=O)N([C@@H](CC)C(=O)[O-])C2CC2)cc1	ZINC000900355191	620664040	/nfs/dbraw/zinc/66/40/40/620664040.db2.gz	HMNBHWAKZYGSLG-AWEZNQCLSA-N	-1	0	286.331	2.527	20	30		CFEDRM
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1NC(=O)[O-]	ZINC000830205610	603959056	/nfs/dbraw/zinc/95/90/56/603959056.db2.gz	PNAJUZZBHGPXNI-NEPJUHHUSA-N	-1	0	287.319	2.507	20	30		CFEDRM
C=C(Cl)COC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823486062	604024507	/nfs/dbraw/zinc/02/45/07/604024507.db2.gz	NUUUJVFCANXXOL-JQWIXIFHSA-N	-1	0	297.738	2.927	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823490732	604046701	/nfs/dbraw/zinc/04/67/01/604046701.db2.gz	KJHSPWXLPGTAFD-OCCSQVGLSA-N	-1	0	294.395	2.650	20	30		CFEDRM
C#CCCCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl	ZINC000823445031	604096934	/nfs/dbraw/zinc/09/69/34/604096934.db2.gz	UVQMGAPJWIBBOM-UHFFFAOYSA-N	-1	0	294.738	2.963	20	30		CFEDRM
N#Cc1cccnc1Nc1ccc2c(c1)CN(C(=O)[O-])CC2	ZINC000831157313	604203748	/nfs/dbraw/zinc/20/37/48/604203748.db2.gz	VNCNSQQKCCDZCI-UHFFFAOYSA-N	-1	0	294.314	2.733	20	30		CFEDRM
C=CCN(CC=C)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000823500257	604282683	/nfs/dbraw/zinc/28/26/83/604282683.db2.gz	DKGJGROVFDOUTR-KGLIPLIRSA-N	-1	0	294.395	2.603	20	30		CFEDRM
C=C(C)[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])OCC	ZINC000819706335	604562296	/nfs/dbraw/zinc/56/22/96/604562296.db2.gz	XGDCPMWTEHCCHQ-CQSZACIVSA-N	-1	0	291.347	2.624	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825676009	604573608	/nfs/dbraw/zinc/57/36/08/604573608.db2.gz	ODUAGZNUJWFRDE-GHMZBOCLSA-N	-1	0	296.319	2.872	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1	ZINC000825676015	604573935	/nfs/dbraw/zinc/57/39/35/604573935.db2.gz	ODUAGZNUJWFRDE-WDEREUQCSA-N	-1	0	296.319	2.872	20	30		CFEDRM
C#Cc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)nc1	ZINC000825636572	604580740	/nfs/dbraw/zinc/58/07/40/604580740.db2.gz	NHCWTPPLIBATJK-JTQLQIEISA-N	-1	0	299.282	2.581	20	30		CFEDRM
C[C@H](C(=O)OCc1cccc(C(=O)[O-])c1C#N)C(C)(C)C	ZINC000833408158	604582248	/nfs/dbraw/zinc/58/22/48/604582248.db2.gz	CVQXCPHPIGPQPU-SNVBAGLBSA-N	-1	0	289.331	2.982	20	30		CFEDRM
COc1ccccc1N(C)Cc1cccc(C(=O)[O-])c1C#N	ZINC000833736400	604605948	/nfs/dbraw/zinc/60/59/48/604605948.db2.gz	IMWROKYMAAOPLZ-UHFFFAOYSA-N	-1	0	296.326	2.901	20	30		CFEDRM
Cc1cc(C(C)N=Nc2ccc(C(=O)[O-])cn2)ccc1O	ZINC000763369638	604668378	/nfs/dbraw/zinc/66/83/78/604668378.db2.gz	VXPYLSKUHJDCGM-UHFFFAOYSA-N	-1	0	285.303	2.630	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)COC2	ZINC000763371046	604668393	/nfs/dbraw/zinc/66/83/93/604668393.db2.gz	YMTIEWZNSIOTNX-UHFFFAOYSA-N	-1	0	297.314	2.646	20	30		CFEDRM
CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(F)ccc1F	ZINC000763376883	604669405	/nfs/dbraw/zinc/66/94/05/604669405.db2.gz	HZTSCCXXRDCDJZ-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
Cc1nc(C)c(C(C)N=Nc2ccc(C(=O)[O-])cn2)s1	ZINC000763377749	604669850	/nfs/dbraw/zinc/66/98/50/604669850.db2.gz	XEJSKOFLAYGSDJ-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)o1	ZINC000763368874	604670209	/nfs/dbraw/zinc/67/02/09/604670209.db2.gz	PLHRKPLMTZUBAA-UHFFFAOYSA-N	-1	0	259.265	2.517	20	30		CFEDRM
CC(C)CN(CCC#N)Cc1ccc(C(=O)[O-])cc1F	ZINC000833488379	604759006	/nfs/dbraw/zinc/75/90/06/604759006.db2.gz	PMAIRSSSIISPIW-UHFFFAOYSA-N	-1	0	278.327	2.896	20	30		CFEDRM
CC(N=Nc1ncc(F)cn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814889574	604901355	/nfs/dbraw/zinc/90/13/55/604901355.db2.gz	OPTPKUWURPBUQV-VIFPVBQESA-N	-1	0	282.319	2.685	20	30		CFEDRM
C=CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)C1CC1	ZINC000162390141	604912313	/nfs/dbraw/zinc/91/23/13/604912313.db2.gz	UIAYZFWDMKUBBY-UHFFFAOYSA-N	-1	0	278.283	2.706	20	30		CFEDRM
C=CCN(C(=O)Nc1ccccc1C(=O)[O-])C1CC1	ZINC000165753373	604973179	/nfs/dbraw/zinc/97/31/79/604973179.db2.gz	ORFAZXAPDZDATC-UHFFFAOYSA-N	-1	0	260.293	2.567	20	30		CFEDRM
C=CCN(C(=O)Nc1ccc(OC)cc1C(=O)[O-])C1CC1	ZINC000162378232	604973580	/nfs/dbraw/zinc/97/35/80/604973580.db2.gz	OGXYTTISMRTRDL-UHFFFAOYSA-N	-1	0	290.319	2.576	20	30		CFEDRM
C=CCC[C@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833372965	604991021	/nfs/dbraw/zinc/99/10/21/604991021.db2.gz	BWTZQYVZQAEILG-NSHDSACASA-N	-1	0	278.304	2.662	20	30		CFEDRM
C=CCC[C@@H](C)OC(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000833373370	604991848	/nfs/dbraw/zinc/99/18/48/604991848.db2.gz	MOTXACDRCPBBPP-GHMZBOCLSA-N	-1	0	257.330	2.567	20	30		CFEDRM
N#CC1CCC(CNC(=O)c2cc(F)cc(F)c2[O-])CC1	ZINC000935816317	649951602	/nfs/dbraw/zinc/95/16/02/649951602.db2.gz	HWVBDACQOWTQHX-UHFFFAOYSA-N	-1	0	294.301	2.730	20	30		CFEDRM
C#CCCCCC(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000236452924	605004567	/nfs/dbraw/zinc/00/45/67/605004567.db2.gz	DJSPIARUXDTWKE-UHFFFAOYSA-N	-1	0	263.268	2.656	20	30		CFEDRM
C#CCOc1cccc(N[C@H](CCCC)C(=O)[O-])c1	ZINC000833366724	605005548	/nfs/dbraw/zinc/00/55/48/605005548.db2.gz	GXLXNJBTHLFAMU-CQSZACIVSA-N	-1	0	261.321	2.754	20	30		CFEDRM
C#CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000833362794	605007516	/nfs/dbraw/zinc/00/75/16/605007516.db2.gz	LKQONHCZSFWMCF-AWEZNQCLSA-N	-1	0	291.322	2.651	20	30		CFEDRM
C#CCCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1	ZINC000235752366	605008910	/nfs/dbraw/zinc/00/89/10/605008910.db2.gz	FOLNPJKRLSBSIL-UHFFFAOYSA-N	-1	0	259.305	2.825	20	30		CFEDRM
COc1ccc(C#N)cc1COc1ccc(C(=O)[O-])cc1	ZINC000157932039	605009706	/nfs/dbraw/zinc/00/97/06/605009706.db2.gz	KRKCYFDOEHXLAK-UHFFFAOYSA-N	-1	0	283.283	2.844	20	30		CFEDRM
C#CCCCCC(=O)OCc1ccccc1CC(=O)[O-]	ZINC000833363001	605018619	/nfs/dbraw/zinc/01/86/19/605018619.db2.gz	VYXFRDCLDUEIJF-UHFFFAOYSA-N	-1	0	274.316	2.551	20	30		CFEDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc(F)cc1	ZINC000833406501	605038117	/nfs/dbraw/zinc/03/81/17/605038117.db2.gz	NBDAOLZEESCTMV-JTQLQIEISA-N	-1	0	275.283	2.719	20	30		CFEDRM
CC(C)(C)CN(CCC#N)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000833430784	605068833	/nfs/dbraw/zinc/06/88/33/605068833.db2.gz	VBXQJPASIWDASJ-UHFFFAOYSA-N	-1	0	282.384	2.666	20	30		CFEDRM
C[C@@H](CC(=O)OCCCCC#N)C1CCN(C(=O)[O-])CC1	ZINC000824730291	605078029	/nfs/dbraw/zinc/07/80/29/605078029.db2.gz	XFFQMGAMSIFCJF-LBPRGKRZSA-N	-1	0	296.367	2.640	20	30		CFEDRM
C#Cc1cccc(NC(=O)NCC(CC)(CC)C(=O)[O-])c1	ZINC000165099753	605092744	/nfs/dbraw/zinc/09/27/44/605092744.db2.gz	PVAUNFFOOCEWBO-UHFFFAOYSA-N	-1	0	288.347	2.680	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1csc(C)n1	ZINC000812445886	605098968	/nfs/dbraw/zinc/09/89/68/605098968.db2.gz	DHFJZHZDZNZPAV-UHFFFAOYSA-N	-1	0	275.333	2.986	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1ccc2c(c1)CCO2	ZINC000833783814	605100138	/nfs/dbraw/zinc/10/01/38/605100138.db2.gz	SSTIAFONJHGJMQ-UHFFFAOYSA-N	-1	0	282.299	2.766	20	30		CFEDRM
Cc1nc2ccccn2c1C=NNc1ccccc1C(=O)[O-]	ZINC000812444703	605101010	/nfs/dbraw/zinc/10/10/10/605101010.db2.gz	FCCRBBYLXKEVLQ-UHFFFAOYSA-N	-1	0	294.314	2.787	20	30		CFEDRM
C[C@H]1CSC(SCc2cccc(C(=O)[O-])c2C#N)=N1	ZINC000833632298	605149676	/nfs/dbraw/zinc/14/96/76/605149676.db2.gz	KKMSXOSHASKOMO-QMMMGPOBSA-N	-1	0	292.385	2.981	20	30		CFEDRM
CC(C)(C)C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)[O-]	ZINC000833428770	605240936	/nfs/dbraw/zinc/24/09/36/605240936.db2.gz	YPXQAXLRMRKKDH-VIFPVBQESA-N	-1	0	281.333	2.666	20	30		CFEDRM
CN(Cc1cccc(NCc2ccc(C#N)o2)c1)C(=O)[O-]	ZINC000828375268	605245702	/nfs/dbraw/zinc/24/57/02/605245702.db2.gz	AXDTZTSTVXZSIP-UHFFFAOYSA-N	-1	0	285.303	2.873	20	30		CFEDRM
COc1ccc(O)c(/C=N/CC2(C(=O)[O-])CCCCC2)c1	ZINC000833733219	605321067	/nfs/dbraw/zinc/32/10/67/605321067.db2.gz	CWFWDXADVCVADI-LICLKQGHSA-N	-1	0	291.347	2.855	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1	ZINC000042344510	620684994	/nfs/dbraw/zinc/68/49/94/620684994.db2.gz	MAPFHCIKXBHODD-NSHDSACASA-N	-1	0	285.365	2.540	20	30		CFEDRM
C[C@]1(C#N)CCCN([C@@H](C(=O)[O-])c2ccccc2F)C1	ZINC000833551228	605419460	/nfs/dbraw/zinc/41/94/60/605419460.db2.gz	JWMPSHPMCCNLBW-UKRRQHHQSA-N	-1	0	276.311	2.577	20	30		CFEDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])N=Nc1cccnn1	ZINC000824760102	605477988	/nfs/dbraw/zinc/47/79/88/605477988.db2.gz	SBTFMZYTIDNDAL-LBPRGKRZSA-N	-1	0	291.355	2.577	20	30		CFEDRM
C=CCN(CCc1ccco1)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000819713466	605486797	/nfs/dbraw/zinc/48/67/97/605486797.db2.gz	ODTWIEGHASCEEQ-UHFFFAOYSA-N	-1	0	299.326	2.849	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1	ZINC000833815186	605497590	/nfs/dbraw/zinc/49/75/90/605497590.db2.gz	FIULCBBSIVHSRX-VHSXEESVSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2C#N)C1	ZINC000833815188	605497648	/nfs/dbraw/zinc/49/76/48/605497648.db2.gz	FIULCBBSIVHSRX-ZJUUUORDSA-N	-1	0	293.754	2.694	20	30		CFEDRM
C#CCC(C)(C)COC(=O)c1cccc(C(=O)[O-])c1	ZINC000833361041	605521033	/nfs/dbraw/zinc/52/10/33/605521033.db2.gz	VQTUTHHVYBEUNF-UHFFFAOYSA-N	-1	0	260.289	2.591	20	30		CFEDRM
C=C(Cl)COC(=O)C[C@H](NC(=O)[O-])c1ccccc1	ZINC000823486512	605558513	/nfs/dbraw/zinc/55/85/13/605558513.db2.gz	YDSZXZJIKWGSJD-NSHDSACASA-N	-1	0	283.711	2.681	20	30		CFEDRM
CC(N=Nc1ccccc1C(=O)[O-])[C@H]1CCCOC1	ZINC000779768173	605580256	/nfs/dbraw/zinc/58/02/56/605580256.db2.gz	SNJUJFDVENMFHX-NSHDSACASA-N	-1	0	262.309	2.599	20	30		CFEDRM
CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccc(N)cc1	ZINC000833386954	605593373	/nfs/dbraw/zinc/59/33/73/605593373.db2.gz	DXSBWIVDRLWWIB-UHFFFAOYSA-N	-1	0	269.304	2.803	20	30		CFEDRM
C#CCCCCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21	ZINC000833362015	605605164	/nfs/dbraw/zinc/60/51/64/605605164.db2.gz	VSPVNRGYTRDBJX-AWEZNQCLSA-N	-1	0	285.343	2.785	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000819701043	605610188	/nfs/dbraw/zinc/61/01/88/605610188.db2.gz	YIPXAMWHLBUHNR-UHFFFAOYSA-N	-1	0	273.332	2.836	20	30		CFEDRM
CC[C@@H](C)[C@@H](C)C(=O)OCc1cccc(C(=O)[O-])c1C#N	ZINC000833639338	605672535	/nfs/dbraw/zinc/67/25/35/605672535.db2.gz	SUCDAUZBANSWOK-GHMZBOCLSA-N	-1	0	289.331	2.982	20	30		CFEDRM
CC1(C#N)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000833551207	605707611	/nfs/dbraw/zinc/70/76/11/605707611.db2.gz	JCOXQTVJEBKKOY-UHFFFAOYSA-N	-1	0	287.319	2.542	20	30		CFEDRM
N#CC1(c2nc([C@@H]3CCCCCN3C(=O)[O-])no2)CCC1	ZINC000833963924	605724472	/nfs/dbraw/zinc/72/44/72/605724472.db2.gz	WWQAUPJIRKIMEW-JTQLQIEISA-N	-1	0	290.323	2.610	20	30		CFEDRM
O=C([O-])N[C@H]1CC(=NOCC(F)(F)F)c2ccccc21	ZINC000834159431	605745953	/nfs/dbraw/zinc/74/59/53/605745953.db2.gz	ZIBKWNHWYORGDG-VIFPVBQESA-N	-1	0	288.225	2.682	20	30		CFEDRM
CCCCCCCC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C	ZINC000826820935	605754986	/nfs/dbraw/zinc/75/49/86/605754986.db2.gz	QFKHTFDPZRZAIO-QWHCGFSZSA-N	-1	0	284.400	2.994	20	30		CFEDRM
N#Cc1ccc2nc(N[C@H]3CCCN(C(=O)[O-])C3)ccc2c1	ZINC000833976609	605769459	/nfs/dbraw/zinc/76/94/59/605769459.db2.gz	IKKCXXSJUPTRFE-ZDUSSCGKSA-N	-1	0	296.330	2.661	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1cccc(Cl)c1	ZINC000834169319	605857153	/nfs/dbraw/zinc/85/71/53/605857153.db2.gz	LXXCSMOXUWIVJF-JTQLQIEISA-N	-1	0	267.716	2.928	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1N=Nc1ccc2ccccc2n1	ZINC000834167523	605857227	/nfs/dbraw/zinc/85/72/27/605857227.db2.gz	BVQHVOGDKMFJHG-LBPRGKRZSA-N	-1	0	284.319	2.823	20	30		CFEDRM
O=C([O-])N[C@H]1CCCC1=NNCc1cccc2cccnc21	ZINC000834167563	605858636	/nfs/dbraw/zinc/85/86/36/605858636.db2.gz	CBVFHSKDYZRJFO-ZDUSSCGKSA-N	-1	0	298.346	2.501	20	30		CFEDRM
N#Cc1cc(Cl)ccc1NC[C@H](NC(=O)[O-])C1CC1	ZINC000833969899	605921043	/nfs/dbraw/zinc/92/10/43/605921043.db2.gz	HGXLIBWKXJUNRT-LBPRGKRZSA-N	-1	0	279.727	2.670	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NC[C@@H](NC(=O)[O-])C1CC1	ZINC000833973301	605922361	/nfs/dbraw/zinc/92/23/61/605922361.db2.gz	JJTDJWYPQWNOHI-GFCCVEGCSA-N	-1	0	279.727	2.670	20	30		CFEDRM
O=C([O-])N1CCCC(N=Nc2nncc3ccccc32)CC1	ZINC000834096940	605990798	/nfs/dbraw/zinc/99/07/98/605990798.db2.gz	JFSOTYRPSNBEHG-UHFFFAOYSA-N	-1	0	299.334	2.562	20	30		CFEDRM
N#CC1(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1	ZINC000833964707	606000575	/nfs/dbraw/zinc/00/05/75/606000575.db2.gz	NQGVAPOWUYXPJW-UHFFFAOYSA-N	-1	0	294.694	2.890	20	30		CFEDRM
CCN(CCC#N)C(=O)Nc1cc(NC(=O)[O-])ccc1C	ZINC000833858169	606011455	/nfs/dbraw/zinc/01/14/55/606011455.db2.gz	XPJCTOXMBWYBLW-UHFFFAOYSA-N	-1	0	290.323	2.852	20	30		CFEDRM
O=C([O-])NC1(CN=Cc2cc3ccccc3[nH]c2=O)CCC1	ZINC000834153459	606071537	/nfs/dbraw/zinc/07/15/37/606071537.db2.gz	ARFAEWNAQWZWCJ-RQZCQDPDSA-N	-1	0	299.330	2.550	20	30		CFEDRM
O=C([O-])N[C@H]1CCCCCC1N=Nc1ccc(F)cn1	ZINC000834184236	606080602	/nfs/dbraw/zinc/08/06/02/606080602.db2.gz	NMNTYZBLOPVCFA-JTQLQIEISA-N	-1	0	280.303	2.589	20	30		CFEDRM
O=C([O-])N[C@@H]1CCCCCC1=NOCC(F)(F)F	ZINC000834187377	606081292	/nfs/dbraw/zinc/08/12/92/606081292.db2.gz	XVIMMZATRVTJKB-SSDOTTSWSA-N	-1	0	268.235	2.522	20	30		CFEDRM
N#C[C@H](C(=O)Cc1ccccc1NC(=O)[O-])c1ccccn1	ZINC000833959715	606091306	/nfs/dbraw/zinc/09/13/06/606091306.db2.gz	CSBYXNYERGYVPA-LBPRGKRZSA-N	-1	0	295.298	2.590	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCCOCC2CC2)c1	ZINC000255111645	617964178	/nfs/dbraw/zinc/96/41/78/617964178.db2.gz	NPEZJSCMZVUSNI-DHDCSXOGSA-N	-1	0	278.308	2.536	20	30		CFEDRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)cc1	ZINC000048518105	617978133	/nfs/dbraw/zinc/97/81/33/617978133.db2.gz	QVRPNBYCCNHLEQ-UHFFFAOYSA-N	-1	0	289.356	2.997	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C(C)(C)c1ccccc1OC	ZINC000846539534	618109221	/nfs/dbraw/zinc/10/92/21/618109221.db2.gz	ISNAWWKOYBSMTE-UHFFFAOYSA-N	-1	0	263.337	2.597	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1cccc(C(C)C)c1	ZINC000846538334	618109405	/nfs/dbraw/zinc/10/94/05/618109405.db2.gz	PJNQVXTXMIEJGD-UHFFFAOYSA-N	-1	0	263.337	2.813	20	30		CFEDRM
CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)C(C)C)cc1	ZINC000049418020	617604076	/nfs/dbraw/zinc/60/40/76/617604076.db2.gz	ZOHTXRNAHFYNSJ-UHFFFAOYSA-N	-1	0	299.392	2.884	20	30		CFEDRM
Cc1ccccc1SCC(=O)[N-]S(=O)(=O)C(C)C	ZINC000049418087	617604258	/nfs/dbraw/zinc/60/42/58/617604258.db2.gz	ZRRDZNFYYYOCGP-UHFFFAOYSA-N	-1	0	287.406	2.782	20	30		CFEDRM
CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)C(C)C	ZINC000049417583	617604259	/nfs/dbraw/zinc/60/42/59/617604259.db2.gz	YYUNFPNTAHCTGR-UHFFFAOYSA-N	-1	0	275.395	2.914	20	30		CFEDRM
[O-]c1cc(Cl)c(C=NNc2ccncc2)cc1Cl	ZINC000779808242	617823921	/nfs/dbraw/zinc/82/39/21/617823921.db2.gz	DWPHBMAEXHEGET-UHFFFAOYSA-N	-1	0	282.130	2.962	20	30		CFEDRM
Cc1ccc2ncc(/C=C\C(=O)c3ccc(O)cc3[O-])n2c1	ZINC000255057990	617833893	/nfs/dbraw/zinc/83/38/93/617833893.db2.gz	NVXWBIGZCMCVRA-UTCJRWHESA-N	-1	0	294.310	2.950	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]OCCOc1ccccc1	ZINC000889443876	617871703	/nfs/dbraw/zinc/87/17/03/617871703.db2.gz	VTVICWCGHDNGGN-UHFFFAOYSA-N	-1	0	263.337	2.716	20	30		CFEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cc(O)ccc1O	ZINC000255101611	617960392	/nfs/dbraw/zinc/96/03/92/617960392.db2.gz	DCIXHQCWZAWVRT-IWQZZHSRSA-N	-1	0	292.237	2.978	20	30		CFEDRM
CC[C@H](C)NN=Cc1cc(C(=O)[O-])c(Cl)s1	ZINC000901232742	620768491	/nfs/dbraw/zinc/76/84/91/620768491.db2.gz	DHPAAEUFOMSRKY-LURJTMIESA-N	-1	0	260.746	2.822	20	30		CFEDRM
CCCCCC(=O)[N-]S(=O)(=O)c1cccs1	ZINC000042243754	618013742	/nfs/dbraw/zinc/01/37/42/618013742.db2.gz	AAJVWWFGSJOAFV-UHFFFAOYSA-N	-1	0	261.368	2.974	20	30		CFEDRM
O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cncc(F)c1	ZINC000255165253	618026153	/nfs/dbraw/zinc/02/61/53/618026153.db2.gz	KWYFYSYDQPKXQM-RQOWECAXSA-N	-1	0	288.234	2.731	20	30		CFEDRM
O=C([O-])c1ccc2[nH]cc(C=NOCC3CC3)c2c1	ZINC000901245066	620770738	/nfs/dbraw/zinc/77/07/38/620770738.db2.gz	CAHVKMOKVSYTGA-UHFFFAOYSA-N	-1	0	258.277	2.627	20	30		CFEDRM
CC[C@@H](NN=C(C)c1csc(C(F)(F)F)c1)C(=O)[O-]	ZINC000901245585	620771057	/nfs/dbraw/zinc/77/10/57/620771057.db2.gz	FJHAYBCSSATIRV-MRVPVSSYSA-N	-1	0	294.298	2.944	20	30		CFEDRM
C[C@@H]1CC2(CC(N=Nc3ccc(C(=O)[O-])cc3F)C2)CO1	ZINC000901249170	620771911	/nfs/dbraw/zinc/77/19/11/620771911.db2.gz	SNERZHCELSMHOK-WXMRUQJCSA-N	-1	0	292.310	2.881	20	30		CFEDRM
Cc1ccc(C=NN[C@@H](C)C(F)(F)F)cc1C(=O)[O-]	ZINC000901249888	620772480	/nfs/dbraw/zinc/77/24/80/620772480.db2.gz	KEWHPCYFLFPBSD-QMMMGPOBSA-N	-1	0	274.242	2.568	20	30		CFEDRM
O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cccnc1	ZINC000255518380	618082247	/nfs/dbraw/zinc/08/22/47/618082247.db2.gz	GDPUFHBUDFNGRY-ARJAWSKDSA-N	-1	0	261.227	2.962	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)c1ccc(F)cc1	ZINC000846547300	618112384	/nfs/dbraw/zinc/11/23/84/618112384.db2.gz	DERLWEVOIDWTOC-ZWNOBZJWSA-N	-1	0	251.301	2.942	20	30		CFEDRM
C=C[C@H](C)ONC(=O)C[C@@H](C)c1ccc(F)cc1	ZINC000846551546	618114414	/nfs/dbraw/zinc/11/44/14/618114414.db2.gz	WKKYBWSAJVOLMB-MNOVXSKESA-N	-1	0	251.301	2.942	20	30		CFEDRM
COC(=O)c1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])o1	ZINC000255567869	618128645	/nfs/dbraw/zinc/12/86/45/618128645.db2.gz	XDUCFBTXVCTIAE-DAXSKMNVSA-N	-1	0	286.283	2.976	20	30		CFEDRM
O=C([O-])c1cc(/C=C2/Oc3ccccc3C2=O)ccc1O	ZINC000033957134	618161839	/nfs/dbraw/zinc/16/18/39/618161839.db2.gz	DCEVWNFKHNVAEK-RIYZIHGNSA-N	-1	0	282.251	2.707	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1csc2c1CC[C@@H](C)C2	ZINC000092462767	618180975	/nfs/dbraw/zinc/18/09/75/618180975.db2.gz	VNDGAUACCSXTGH-SNVBAGLBSA-N	-1	0	293.388	2.586	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CCCCC2	ZINC000092463245	618181143	/nfs/dbraw/zinc/18/11/43/618181143.db2.gz	DKVMAKREXKDVAF-UHFFFAOYSA-N	-1	0	293.388	2.730	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)CCc2ccccc2O)c1	ZINC000176820029	618205836	/nfs/dbraw/zinc/20/58/36/618205836.db2.gz	DFRLOWQNSASHOL-UHFFFAOYSA-N	-1	0	282.299	2.541	20	30		CFEDRM
Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176826931	618207449	/nfs/dbraw/zinc/20/74/49/618207449.db2.gz	XXXOBVZMHSATIN-LBPRGKRZSA-N	-1	0	296.326	2.978	20	30		CFEDRM
Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1	ZINC000176826195	618207621	/nfs/dbraw/zinc/20/76/21/618207621.db2.gz	PSHMSRZREBJKFC-UHFFFAOYSA-N	-1	0	252.273	2.825	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccn2)c1	ZINC000176830532	618207935	/nfs/dbraw/zinc/20/79/35/618207935.db2.gz	SHWBCFJLDVPCTC-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1	ZINC000077881610	618211984	/nfs/dbraw/zinc/21/19/84/618211984.db2.gz	OCXUNEQSKIFVMM-NSHDSACASA-N	-1	0	293.344	2.984	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC2CCC(F)(F)CC2)c1	ZINC000901340406	620788969	/nfs/dbraw/zinc/78/89/69/620788969.db2.gz	FRERSTAFVKMEBN-UHFFFAOYSA-N	-1	0	282.290	2.886	20	30		CFEDRM
CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000049178048	618252359	/nfs/dbraw/zinc/25/23/59/618252359.db2.gz	YMEMXOSMLFFSOB-LLVKDONJSA-N	-1	0	285.365	2.537	20	30		CFEDRM
N#CC(=C([O-])c1cnc(CC2CC2)s1)c1ccccn1	ZINC000892481914	618360329	/nfs/dbraw/zinc/36/03/29/618360329.db2.gz	TULWWCGSWBDZRZ-NSHDSACASA-N	-1	0	283.356	2.981	20	30		CFEDRM
CCn1cc(/C=C\C(=O)c2ccc(C)cc2[O-])cn1	ZINC000255864719	618379228	/nfs/dbraw/zinc/37/92/28/618379228.db2.gz	HXJMZKYRLHBFPD-ALCCZGGFSA-N	-1	0	256.305	2.813	20	30		CFEDRM
CC(=CN=Nc1nc(C)cc(=O)[n-]1)Cc1ccccc1	ZINC000254397561	618406286	/nfs/dbraw/zinc/40/62/86/618406286.db2.gz	DVHWAWBKZIAYLA-UGUFNEBFSA-N	-1	0	268.320	2.992	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC000909484741	618411861	/nfs/dbraw/zinc/41/18/61/618411861.db2.gz	SGYVGTLIMKSPPY-LBPRGKRZSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=C1CC(C)(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)C1	ZINC000909495012	618422267	/nfs/dbraw/zinc/42/22/67/618422267.db2.gz	LIZHHIUQXBNJQD-LBPRGKRZSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C=C[C@](C)(CC)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000909508296	618490820	/nfs/dbraw/zinc/49/08/20/618490820.db2.gz	SHOZTKQLTRAITI-LKFCYVNXSA-N	-1	0	296.392	2.929	20	30		CFEDRM
CCCc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1	ZINC000901418051	620812775	/nfs/dbraw/zinc/81/27/75/620812775.db2.gz	XZDRTVVNHUZMRM-DOOKAGJSSA-N	-1	0	298.338	2.867	20	30		CFEDRM
C=CCCC[C@@H](C(=O)N(C)CC(=O)[O-])c1ccccc1	ZINC000901420289	620813281	/nfs/dbraw/zinc/81/32/81/620813281.db2.gz	NCOZNEMSUJHAFM-CQSZACIVSA-N	-1	0	275.348	2.670	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1ccccc1[O-]	ZINC000092208781	618714033	/nfs/dbraw/zinc/71/40/33/618714033.db2.gz	ZUNGHWGMBSLHPD-CMDGGOBGSA-N	-1	0	256.305	2.584	20	30		CFEDRM
C=CCCCCCCNC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-]	ZINC000311584354	618716514	/nfs/dbraw/zinc/71/65/14/618716514.db2.gz	XZLVOUMCVAXHNA-OLZOCXBDSA-N	-1	0	267.369	2.740	20	30		CFEDRM
C=CCCCCCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000314436078	619078248	/nfs/dbraw/zinc/07/82/48/619078248.db2.gz	JXPHEKUXKGQMJM-ZIAGYGMSSA-N	-1	0	296.411	2.875	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)COc1ccccc1CC	ZINC000048518520	619348399	/nfs/dbraw/zinc/34/83/99/619348399.db2.gz	ODMPIHVHUGBHFY-UHFFFAOYSA-N	-1	0	299.392	2.714	20	30		CFEDRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000048518924	619349178	/nfs/dbraw/zinc/34/91/78/619349178.db2.gz	DEEAOWFNVREKKS-UHFFFAOYSA-N	-1	0	261.730	2.641	20	30		CFEDRM
Cc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000048519342	619349821	/nfs/dbraw/zinc/34/98/21/619349821.db2.gz	WNOYIWPYSMZURJ-UHFFFAOYSA-N	-1	0	295.385	2.891	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccccc1F)c1ccsc1	ZINC000048519132	619349893	/nfs/dbraw/zinc/34/98/93/619349893.db2.gz	ABQYVHYIOHOYET-UHFFFAOYSA-N	-1	0	285.321	2.581	20	30		CFEDRM
CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000048519808	619350385	/nfs/dbraw/zinc/35/03/85/619350385.db2.gz	VWVMMARGLHTMRA-UHFFFAOYSA-N	-1	0	277.292	2.800	20	30		CFEDRM
CC[C@H](NN=C(C)c1cc(Cl)ccc1OC)C(=O)[O-]	ZINC000793074024	619507138	/nfs/dbraw/zinc/50/71/38/619507138.db2.gz	ZPMMYGDGESKNSQ-NSHDSACASA-N	-1	0	284.743	2.525	20	30		CFEDRM
CC[C@H](C)CON=Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000793160973	619533507	/nfs/dbraw/zinc/53/35/07/619533507.db2.gz	YOVDSJMLTUHZLT-VIFPVBQESA-N	-1	0	252.270	2.697	20	30		CFEDRM
CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1	ZINC000049135234	619535447	/nfs/dbraw/zinc/53/54/47/619535447.db2.gz	MLYIMBZBKAHZGR-LBPRGKRZSA-N	-1	0	299.392	2.534	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@H]2CCOC3(CCC3)C2)c1	ZINC000896821282	619830258	/nfs/dbraw/zinc/83/02/58/619830258.db2.gz	RHUVVIRCIZFCRG-LBPRGKRZSA-N	-1	0	286.331	2.552	20	30		CFEDRM
CC[C@@H](Oc1ccccc1C)C(=O)[N-]S(=O)(=O)C(C)C	ZINC000079149678	619855896	/nfs/dbraw/zinc/85/58/96/619855896.db2.gz	WSRFOMLQVYFBLB-GFCCVEGCSA-N	-1	0	299.392	2.847	20	30		CFEDRM
COC1CCC(/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000840709134	619886136	/nfs/dbraw/zinc/88/61/36/619886136.db2.gz	BCZIMOXMJDZXMO-DHDCSXOGSA-N	-1	0	278.308	2.677	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CCC[C@@H]2CCOC2)c1	ZINC000840709997	619896837	/nfs/dbraw/zinc/89/68/37/619896837.db2.gz	NILLKFBCQDLRPV-PDICVPPASA-N	-1	0	278.308	2.536	20	30		CFEDRM
CC(C)(CC#N)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000840711497	619929768	/nfs/dbraw/zinc/92/97/68/619929768.db2.gz	RCDIBBVKEJJIQA-OVCLIPMQSA-N	-1	0	261.281	2.659	20	30		CFEDRM
CC(=NN[C@@H]1CCSC1)c1cc(Cl)ccc1O	ZINC000808001304	619934583	/nfs/dbraw/zinc/93/45/83/619934583.db2.gz	JAKLBPNZXNCVDQ-SNVBAGLBSA-N	-1	0	270.785	2.865	20	30		CFEDRM
C=CC(C)(C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1	ZINC000909626873	620004121	/nfs/dbraw/zinc/00/41/21/620004121.db2.gz	NOLCMZKLFVAEEW-UHFFFAOYSA-N	-1	0	277.320	2.682	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)oc1C	ZINC000193369459	620267027	/nfs/dbraw/zinc/26/70/27/620267027.db2.gz	WPOKKPOMNDAPLP-ZDUSSCGKSA-N	-1	0	276.336	2.525	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](c1ccncc1)C1CCCC1	ZINC000897922047	620304828	/nfs/dbraw/zinc/30/48/28/620304828.db2.gz	PTDCTMCVHJHWCC-AWEZNQCLSA-N	-1	0	260.337	2.589	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1	ZINC000898938875	620508776	/nfs/dbraw/zinc/50/87/76/620508776.db2.gz	BOQDQTSWDLXZJA-OAHLLOKOSA-N	-1	0	274.364	2.979	20	30		CFEDRM
COC[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(C)C	ZINC000899227955	620532886	/nfs/dbraw/zinc/53/28/86/620532886.db2.gz	VOLNCEPJGZJWEJ-QNKXHIPISA-N	-1	0	280.324	2.638	20	30		CFEDRM
Cc1ncc(CO)c(/C=N/[C@@H]2CCCC3(CC3)C2)c1O	ZINC000899230162	620533465	/nfs/dbraw/zinc/53/34/65/620533465.db2.gz	FARFNGIFJXSOLY-AGZSBTIMSA-N	-1	0	274.364	2.730	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O	ZINC000899347360	620547812	/nfs/dbraw/zinc/54/78/12/620547812.db2.gz	REKFETIISDFYQL-GFCCVEGCSA-N	-1	0	296.248	2.947	20	30		CFEDRM
Cn1nc2c(c1/C=C\C(=O)c1ccc([O-])c(F)c1)CCC2	ZINC000899353492	620548422	/nfs/dbraw/zinc/54/84/22/620548422.db2.gz	OZTFYFRGIZZXGC-VURMDHGXSA-N	-1	0	286.306	2.650	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2cccc3c2CCCC3)c1=O	ZINC000899348489	620549432	/nfs/dbraw/zinc/54/94/32/620549432.db2.gz	AHBQHOIZZOBMNT-CQSZACIVSA-N	-1	0	266.344	2.927	20	30		CFEDRM
C#CCc1c(C)[n-]n(-c2ccc(SC)cc2)c1=O	ZINC000899349235	620549875	/nfs/dbraw/zinc/54/98/75/620549875.db2.gz	YZWJBCCRHKXCOS-ZDUSSCGKSA-N	-1	0	258.346	2.771	20	30		CFEDRM
C#CCCc1cc(=O)n(CCCOCc2ccccc2)[n-]1	ZINC000899358535	620551883	/nfs/dbraw/zinc/55/18/83/620551883.db2.gz	YAMAQONFUPUJEY-UHFFFAOYSA-N	-1	0	284.359	2.595	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)c(F)c2)c(=O)c1CCC#N	ZINC000899361258	620552937	/nfs/dbraw/zinc/55/29/37/620552937.db2.gz	WLIYEKBWGPBPQO-SNVBAGLBSA-N	-1	0	263.247	2.607	20	30		CFEDRM
COc1ccc(C(=O)/C=C/c2c3c(nn2C)CCC3)c([O-])c1	ZINC000899362333	620553155	/nfs/dbraw/zinc/55/31/55/620553155.db2.gz	QIVADAKAOFOBDN-CMDGGOBGSA-N	-1	0	298.342	2.519	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C)c1ccccc1	ZINC000899775985	620599156	/nfs/dbraw/zinc/59/91/56/620599156.db2.gz	QQRWGEIODFZBOT-RLFYNMQTSA-N	-1	0	299.370	2.614	20	30		CFEDRM
CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(F)cc(C#N)c1	ZINC000899795543	620600918	/nfs/dbraw/zinc/60/09/18/620600918.db2.gz	XRCGICOUSGJOQZ-LLVKDONJSA-N	-1	0	292.310	2.773	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)[C@@H](CC(=O)[O-])CC(C)C	ZINC000899830299	620605113	/nfs/dbraw/zinc/60/51/13/620605113.db2.gz	HGHHAMDDPZUNBE-OLZOCXBDSA-N	-1	0	267.369	2.691	20	30		CFEDRM
C#Cc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(Cl)c1	ZINC000899842826	620605712	/nfs/dbraw/zinc/60/57/12/620605712.db2.gz	LHGMQLGQSSHGCC-SECBINFHSA-N	-1	0	279.723	2.761	20	30		CFEDRM
Cc1nc(/C=C2\CCc3occ(C(=O)[O-])c3C2=O)[nH]c1C	ZINC000901514734	620853076	/nfs/dbraw/zinc/85/30/76/620853076.db2.gz	IUEOVWANRLSWNA-WEVVVXLNSA-N	-1	0	286.287	2.530	20	30		CFEDRM
C=CCN(CC(=O)[O-])Cc1cccn1CCC(C)C	ZINC000901586346	620862392	/nfs/dbraw/zinc/86/23/92/620862392.db2.gz	NZNFAYJRFOVSMD-UHFFFAOYSA-N	-1	0	264.369	2.607	20	30		CFEDRM
C=CC(C)(C)CC(=O)NC1(C(=O)[O-])CCCCCC1	ZINC000902004172	620955129	/nfs/dbraw/zinc/95/51/29/620955129.db2.gz	PGPPJBYLYSRURD-UHFFFAOYSA-N	-1	0	267.369	2.883	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1	ZINC000902052344	620965120	/nfs/dbraw/zinc/96/51/20/620965120.db2.gz	ZGPDFPJNHDCCKN-NNNHXZLVSA-N	-1	0	289.331	2.806	20	30		CFEDRM
C=CCC1(NC(=O)c2coc(/C=C\C(=O)[O-])c2)CCCC1	ZINC000902072619	620968121	/nfs/dbraw/zinc/96/81/21/620968121.db2.gz	RHBTYWUUGFEDSZ-WAYWQWQTSA-N	-1	0	289.331	2.996	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)[C@]1(C(=O)[O-])CC=CCC1	ZINC000902279606	621012713	/nfs/dbraw/zinc/01/27/13/621012713.db2.gz	LIFPOFLHGJHXSQ-INIZCTEOSA-N	-1	0	279.380	2.906	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)[C@@]1(C(=O)[O-])CC=CCC1	ZINC000902631252	621139429	/nfs/dbraw/zinc/13/94/29/621139429.db2.gz	RPQFVWLYDYMZCJ-MRXNPFEDSA-N	-1	0	279.380	2.906	20	30		CFEDRM
CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000902700672	621150033	/nfs/dbraw/zinc/15/00/33/621150033.db2.gz	FBMBBQFFQHWXLM-KRWDZBQOSA-N	-1	0	298.342	2.875	20	30		CFEDRM
CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000902700673	621150155	/nfs/dbraw/zinc/15/01/55/621150155.db2.gz	FBMBBQFFQHWXLM-QGZVFWFLSA-N	-1	0	298.342	2.875	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000902854539	621195140	/nfs/dbraw/zinc/19/51/40/621195140.db2.gz	GYASYLGBYQFFRB-ZDUSSCGKSA-N	-1	0	279.311	2.670	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C#N)o1	ZINC000903168101	621278915	/nfs/dbraw/zinc/27/89/15/621278915.db2.gz	FKFGAJSDXCBELS-UHFFFAOYSA-N	-1	0	296.373	2.939	20	30		CFEDRM
CCCCCCN(O)C(=O)c1n[n-]c2ccccc2c1=O	ZINC000904204779	621550404	/nfs/dbraw/zinc/55/04/04/621550404.db2.gz	UZPWWWIMLHZVNM-UHFFFAOYSA-N	-1	0	289.335	2.747	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)Nc1ccccc1C)C(=O)[O-]	ZINC000905015129	621681915	/nfs/dbraw/zinc/68/19/15/621681915.db2.gz	DXMYKGZGMFDSLJ-CYBMUJFWSA-N	-1	0	276.336	2.926	20	30		CFEDRM
CC(=NOC1CCOCC1)c1ccc(O)cc1Cl	ZINC000905461996	621778255	/nfs/dbraw/zinc/77/82/55/621778255.db2.gz	LJPYJYATGABWKL-UHFFFAOYSA-N	-1	0	269.728	2.965	20	30		CFEDRM
C[C@@H]1CCc2sc([N-]S(C)(=O)=O)c(C#N)c2[C@H]1C	ZINC000906074614	621928948	/nfs/dbraw/zinc/92/89/48/621928948.db2.gz	IHKVEPZJLYXQGN-SFYZADRCSA-N	-1	0	284.406	2.677	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1	ZINC000907563938	622137310	/nfs/dbraw/zinc/13/73/10/622137310.db2.gz	JNCFZQKGUMUYCK-PBHICJAKSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=C[C@H](CC)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000907585629	622139726	/nfs/dbraw/zinc/13/97/26/622139726.db2.gz	HKJNYQDKZRCTAC-UKRRQHHQSA-N	-1	0	289.375	2.648	20	30		CFEDRM
C=C[C@H](CC)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1	ZINC000907630533	622144331	/nfs/dbraw/zinc/14/43/31/622144331.db2.gz	ZQMOYZWLXQNPPB-VHSXEESVSA-N	-1	0	296.392	2.929	20	30		CFEDRM
C=CC1(CC(=O)N2CCC[C@@H]2CC(=O)[O-])CCCCC1	ZINC000907668273	622149570	/nfs/dbraw/zinc/14/95/70/622149570.db2.gz	SZRKKAOAJCNORY-CYBMUJFWSA-N	-1	0	279.380	2.979	20	30		CFEDRM
C=C[C@@H](CC)CC(=O)N1CCc2cccc(C(=O)[O-])c2C1	ZINC000907691117	622153204	/nfs/dbraw/zinc/15/32/04/622153204.db2.gz	XIWXVWWPVKJSLY-LBPRGKRZSA-N	-1	0	287.359	2.872	20	30		CFEDRM
C=C[C@H](CC)CC(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000907705731	622153966	/nfs/dbraw/zinc/15/39/66/622153966.db2.gz	ZSGUZTWYVPVGMA-NEPJUHHUSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccccc1C(C)(C)CC)C(=O)[O-]	ZINC000907719688	622156172	/nfs/dbraw/zinc/15/61/72/622156172.db2.gz	SMSGTDXZFAKHND-CQSZACIVSA-N	-1	0	287.359	2.581	20	30		CFEDRM
N#CCC1(COC(=O)c2ccc(NC(=O)[O-])cc2)CC1	ZINC000833061999	625546136	/nfs/dbraw/zinc/54/61/36/625546136.db2.gz	IMLWMBARYHKIHN-UHFFFAOYSA-N	-1	0	274.276	2.627	20	30		CFEDRM
N#Cc1ccsc1C(=O)NCCCCCCCC(=O)[O-]	ZINC000833076479	625546860	/nfs/dbraw/zinc/54/68/60/625546860.db2.gz	HDQPOYRDKUBHDY-UHFFFAOYSA-N	-1	0	294.376	2.775	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)s1	ZINC000833072380	625547328	/nfs/dbraw/zinc/54/73/28/625547328.db2.gz	SOFWCGMYPSRQLQ-UHFFFAOYSA-N	-1	0	272.285	2.570	20	30		CFEDRM
C=C(C)c1cccc(NC(=O)C2(C(=O)[O-])CCOCC2)c1	ZINC000908249790	622208236	/nfs/dbraw/zinc/20/82/36/622208236.db2.gz	OCWFGCGEFNNCIO-UHFFFAOYSA-N	-1	0	289.331	2.540	20	30		CFEDRM
CC[C@H](C)CO[N-]C(=O)[C@]1(C#N)CC2CCC1CC2	ZINC000908351466	622219172	/nfs/dbraw/zinc/21/91/72/622219172.db2.gz	GFIHZSKRBLRPJU-CLTVBZQCSA-N	-1	0	264.369	2.800	20	30		CFEDRM
C=CC(C)(C)NS(=O)(=O)c1sccc1Cl	ZINC000908466559	622233164	/nfs/dbraw/zinc/23/31/64/622233164.db2.gz	MZFWJHLPGGNDDJ-UHFFFAOYSA-N	-1	0	265.787	2.644	20	30		CFEDRM
C=CC[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1	ZINC000908597655	622248742	/nfs/dbraw/zinc/24/87/42/622248742.db2.gz	HVIZGPGGZRFOBS-GJZGRUSLSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C#Cc1cccc(NC(=O)N[C@H](CC=C(C)C)C(=O)[O-])c1	ZINC000908622771	622253106	/nfs/dbraw/zinc/25/31/06/622253106.db2.gz	YCFBJFZPKNGOOA-CQSZACIVSA-N	-1	0	286.331	2.599	20	30		CFEDRM
C=CC(C)(C)CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21	ZINC000908975011	622291635	/nfs/dbraw/zinc/29/16/35/622291635.db2.gz	NMHPBDHFCBKWMY-QGZVFWFLSA-N	-1	0	287.359	2.631	20	30		CFEDRM
C=C(C)CCNC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1	ZINC000909030555	622298314	/nfs/dbraw/zinc/29/83/14/622298314.db2.gz	MKRFEATUOKJJGY-CQSZACIVSA-N	-1	0	290.363	2.695	20	30		CFEDRM
C=C(C)CCNC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-]	ZINC000909031435	622298364	/nfs/dbraw/zinc/29/83/64/622298364.db2.gz	ZWPMLLVNSBQDFI-ZDUSSCGKSA-N	-1	0	290.363	2.638	20	30		CFEDRM
C=C[C@@](C)(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000909084977	622308205	/nfs/dbraw/zinc/30/82/05/622308205.db2.gz	ZPNQHTWGGAKHGY-INIZCTEOSA-N	-1	0	291.347	2.861	20	30		CFEDRM
C=CC[C@H](C(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1	ZINC000909273820	622331830	/nfs/dbraw/zinc/33/18/30/622331830.db2.gz	TZSUMEOJXXNSPZ-AWEZNQCLSA-N	-1	0	287.359	2.717	20	30		CFEDRM
C=CC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1	ZINC000909303070	622341033	/nfs/dbraw/zinc/34/10/33/622341033.db2.gz	INERYOGXVDHQRL-RHSMWYFYSA-N	-1	0	287.359	2.670	20	30		CFEDRM
C=CCC(C)(C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1	ZINC000909704750	622343208	/nfs/dbraw/zinc/34/32/08/622343208.db2.gz	VKJPARQOYBJHTR-ZDUSSCGKSA-N	-1	0	293.338	2.712	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000909714700	622344315	/nfs/dbraw/zinc/34/43/15/622344315.db2.gz	ZQFNRNKXZJINIB-LBPRGKRZSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=CCSc1ccccc1C(=O)NC[C@H](CC)C(=O)[O-]	ZINC000909867560	622362056	/nfs/dbraw/zinc/36/20/56/622362056.db2.gz	AISIELKOCQICPQ-NSHDSACASA-N	-1	0	293.388	2.805	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1	ZINC000909942005	622374866	/nfs/dbraw/zinc/37/48/66/622374866.db2.gz	DNECKWINLNPKFG-NVPAJSRCSA-N	-1	0	291.391	2.836	20	30		CFEDRM
C=CC(C)(C)CC(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1	ZINC000909952092	622375730	/nfs/dbraw/zinc/37/57/30/622375730.db2.gz	DUUQROJBULWAHU-NSHDSACASA-N	-1	0	293.367	2.850	20	30		CFEDRM
C#CCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21	ZINC000909959039	622376906	/nfs/dbraw/zinc/37/69/06/622376906.db2.gz	MCAQGBRPJUJBEC-QLFBSQMISA-N	-1	0	291.391	2.672	20	30		CFEDRM
C#CC[C@H](NC(=O)[C@@H](CC)CC1CCCCC1)C(=O)[O-]	ZINC000910055062	622392512	/nfs/dbraw/zinc/39/25/12/622392512.db2.gz	WYJIGVQKQAJWTN-KBPBESRZSA-N	-1	0	279.380	2.576	20	30		CFEDRM
C#CC[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)C(=O)[O-]	ZINC000910051510	622392690	/nfs/dbraw/zinc/39/26/90/622392690.db2.gz	WSFDFTSTTYMYFH-OAHLLOKOSA-N	-1	0	285.343	2.551	20	30		CFEDRM
C=CC(C)(C)CC(=O)N1CCC[C@@]1(CCC)C(=O)[O-]	ZINC000910116000	622403870	/nfs/dbraw/zinc/40/38/70/622403870.db2.gz	SEFYNTGSEBMFEC-HNNXBMFYSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=CC[C@@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccccc1	ZINC000910201029	622409299	/nfs/dbraw/zinc/40/92/99/622409299.db2.gz	PLKGDTAZYTWZDD-HUUCEWRRSA-N	-1	0	285.343	2.636	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC000910191521	622411265	/nfs/dbraw/zinc/41/12/65/622411265.db2.gz	QDWKHIHGMIRFDK-UHFFFAOYSA-N	-1	0	279.380	2.740	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000910194315	622411671	/nfs/dbraw/zinc/41/16/71/622411671.db2.gz	FKVFNAAOPZRKKG-UHFFFAOYSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)/C=C/C(=C\C)CC)C(=O)[O-]	ZINC000910267017	622421245	/nfs/dbraw/zinc/42/12/45/622421245.db2.gz	QCVOFTQXTGBJCQ-SFYFBNSESA-N	-1	0	271.744	2.611	20	30		CFEDRM
C=C1CCC(C(=O)NCc2cc(C)c(C(=O)[O-])o2)CC1	ZINC000910304157	622427988	/nfs/dbraw/zinc/42/79/88/622427988.db2.gz	WHPFCWSXOYSJMW-UHFFFAOYSA-N	-1	0	277.320	2.649	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)C(=O)[O-]	ZINC000910290983	622430005	/nfs/dbraw/zinc/43/00/05/622430005.db2.gz	ATZKQEOQBBSFLN-WZRBSPASSA-N	-1	0	267.369	2.594	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)CCc1ccc(C)s1)C(=O)[O-]	ZINC000910291220	622430129	/nfs/dbraw/zinc/43/01/29/622430129.db2.gz	GZCCMJXXETVJHY-GFCCVEGCSA-N	-1	0	281.377	2.525	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1	ZINC000910342064	622433102	/nfs/dbraw/zinc/43/31/02/622433102.db2.gz	WPEOFGUTTZYQIV-LLDVTBCESA-N	-1	0	299.370	2.716	20	30		CFEDRM
C=C1CC(C)(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1	ZINC000910367194	622436340	/nfs/dbraw/zinc/43/63/40/622436340.db2.gz	NEIDZXOGFTXITD-LBPRGKRZSA-N	-1	0	285.343	2.948	20	30		CFEDRM
C=CC[C@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1	ZINC000910383008	622439370	/nfs/dbraw/zinc/43/93/70/622439370.db2.gz	UJEBABJERKENDU-LSDHHAIUSA-N	-1	0	287.359	2.716	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCC[C@H]1Nc1ccc(Cl)c(C#N)n1	ZINC000910442791	622445172	/nfs/dbraw/zinc/44/51/72/622445172.db2.gz	KDIAFRAEVHNCDI-ZWNOBZJWSA-N	-1	0	279.727	2.662	20	30		CFEDRM
C=CCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1	ZINC000910698952	622469095	/nfs/dbraw/zinc/46/90/95/622469095.db2.gz	JEUILZLUBYPHOX-UHFFFAOYSA-N	-1	0	268.338	2.869	20	30		CFEDRM
C=CCCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1	ZINC000910732546	622470852	/nfs/dbraw/zinc/47/08/52/622470852.db2.gz	QETIJTAZBHTKMA-SNVBAGLBSA-N	-1	0	294.376	2.779	20	30		CFEDRM
C=CCC(CC=C)C(=O)Nc1nc(C(=O)[O-])c(C)s1	ZINC000910785765	622475248	/nfs/dbraw/zinc/47/52/48/622475248.db2.gz	IFLCOYQLQBPHMP-UHFFFAOYSA-N	-1	0	280.349	2.857	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-]	ZINC000910909680	622485183	/nfs/dbraw/zinc/48/51/83/622485183.db2.gz	ADHWVRNDJXUXAW-WDEREUQCSA-N	-1	0	255.358	2.594	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1cc(C)c(CC)o1)C(=O)[O-]	ZINC000910913108	622485551	/nfs/dbraw/zinc/48/55/51/622485551.db2.gz	SKIYRDULPNATJO-NSHDSACASA-N	-1	0	279.336	2.690	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1ccc(OCC)cc1)C(=O)[O-]	ZINC000910913985	622486065	/nfs/dbraw/zinc/48/60/65/622486065.db2.gz	AOZZEVSTUQTNCR-CQSZACIVSA-N	-1	0	291.347	2.625	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1scnc1C1CC1)C(=O)[O-]	ZINC000910913636	622486182	/nfs/dbraw/zinc/48/61/82/622486182.db2.gz	ZQOMBCLFHRRVDF-SNVBAGLBSA-N	-1	0	294.376	2.560	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C=C(CC)CC)C(=O)[O-]	ZINC000910917135	622486586	/nfs/dbraw/zinc/48/65/86/622486586.db2.gz	LXGOYDFYUMVHJI-LBPRGKRZSA-N	-1	0	253.342	2.659	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)c1c(F)cccc1F)C(=O)[O-]	ZINC000910916227	622486859	/nfs/dbraw/zinc/48/68/59/622486859.db2.gz	UITXKXPHKSZKHS-LLVKDONJSA-N	-1	0	283.274	2.504	20	30		CFEDRM
C=CCCC[C@H](NC(=O)CC(C)(C)CC)C(=O)[O-]	ZINC000910916674	622486876	/nfs/dbraw/zinc/48/68/76/622486876.db2.gz	HXQFMWPFANMHIQ-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C(C)(C)c1ccccc1)C(=O)[O-]	ZINC000910917547	622487226	/nfs/dbraw/zinc/48/72/26/622487226.db2.gz	CTAMMIZAIFLPMZ-CQSZACIVSA-N	-1	0	289.375	2.890	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)[O-]	ZINC000910918765	622487345	/nfs/dbraw/zinc/48/73/45/622487345.db2.gz	PGURLALKHRRXEH-AWEZNQCLSA-N	-1	0	287.359	2.644	20	30		CFEDRM
C=CCCC[C@H](NC(=O)/C=C(\C)c1ccco1)C(=O)[O-]	ZINC000910921070	622487411	/nfs/dbraw/zinc/48/74/11/622487411.db2.gz	ACWTZZKHYQBMJC-IIANPFDCSA-N	-1	0	277.320	2.609	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C(=O)[O-]	ZINC000910922216	622487628	/nfs/dbraw/zinc/48/76/28/622487628.db2.gz	ICDACDNECWKLMF-RKDXNWHRSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CCCC[C@H](NC(=O)C[C@@H](C)c1ccco1)C(=O)[O-]	ZINC000910922871	622487679	/nfs/dbraw/zinc/48/76/79/622487679.db2.gz	OCHFGVXVZKVYRS-NEPJUHHUSA-N	-1	0	279.336	2.699	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1sc(C)cc1C)C(=O)[O-]	ZINC000910922351	622487837	/nfs/dbraw/zinc/48/78/37/622487837.db2.gz	INCMQLZPXDWSKS-NSHDSACASA-N	-1	0	281.377	2.904	20	30		CFEDRM
C=CCCC[C@H](NC(=O)c1ccoc1C(C)C)C(=O)[O-]	ZINC000910925996	622488159	/nfs/dbraw/zinc/48/81/59/622488159.db2.gz	PMCKCFWBVUYILZ-LBPRGKRZSA-N	-1	0	279.336	2.942	20	30		CFEDRM
C=CCCC[C@@H](NC(=O)CC[C@@H]1CC(C)(C)CO1)C(=O)[O-]	ZINC000910923699	622488226	/nfs/dbraw/zinc/48/82/26/622488226.db2.gz	WBKLJAWNHJDQPH-CHWSQXEVSA-N	-1	0	297.395	2.507	20	30		CFEDRM
C=CCCC[C@H](NC(=O)[C@H](C)c1ccccc1)C(=O)[O-]	ZINC000910926820	622488630	/nfs/dbraw/zinc/48/86/30/622488630.db2.gz	URBUIOUXAYHDKF-OCCSQVGLSA-N	-1	0	275.348	2.716	20	30		CFEDRM
C=CCOCCCC(=O)N(CC)c1cccc(C(=O)[O-])c1	ZINC000910970114	622493327	/nfs/dbraw/zinc/49/33/27/622493327.db2.gz	IRDVVRAWFDLBGB-UHFFFAOYSA-N	-1	0	291.347	2.721	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911070597	622503304	/nfs/dbraw/zinc/50/33/04/622503304.db2.gz	GVVMPEWGKMDWSC-NSHDSACASA-N	-1	0	277.320	2.613	20	30		CFEDRM
C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1	ZINC000911070595	622503339	/nfs/dbraw/zinc/50/33/39/622503339.db2.gz	GVVMPEWGKMDWSC-LLVKDONJSA-N	-1	0	277.320	2.613	20	30		CFEDRM
C#Cc1cccc(N(C)C(=O)CC2CCC(C(=O)[O-])CC2)c1	ZINC000911339817	622518785	/nfs/dbraw/zinc/51/87/85/622518785.db2.gz	ORRNBXOJQQFGHT-UHFFFAOYSA-N	-1	0	299.370	2.912	20	30		CFEDRM
C=C(C)[C@@H](NC(=O)[C@H](CC)C(=O)[O-])c1ccc(F)c(F)c1	ZINC000911675367	622534052	/nfs/dbraw/zinc/53/40/52/622534052.db2.gz	CBFVUKJIWKWNBG-GXFFZTMASA-N	-1	0	297.301	2.809	20	30		CFEDRM
C=CCOc1ccc(C(=O)N(CCC)[C@H](C)C(=O)[O-])cc1	ZINC000911711539	622537773	/nfs/dbraw/zinc/53/77/73/622537773.db2.gz	MZQOJVGTPKXSRY-GFCCVEGCSA-N	-1	0	291.347	2.577	20	30		CFEDRM
C=C(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000819934974	622576962	/nfs/dbraw/zinc/57/69/62/622576962.db2.gz	JEFZMFIJZXXUEY-UHFFFAOYSA-N	-1	0	295.404	2.711	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)Cc1sc(CCCC)nc1C	ZINC000911902932	622578647	/nfs/dbraw/zinc/57/86/47/622578647.db2.gz	JFSVSMQIHOUZIV-SNVBAGLBSA-N	-1	0	282.409	2.959	20	30		CFEDRM
N#C[C@@]1(C(=O)[N-]OCC2CCC2)CC2CCC1CC2	ZINC000912724839	622769039	/nfs/dbraw/zinc/76/90/39/622769039.db2.gz	UDAOLWBHQIYXJM-HGMXIMQMSA-N	-1	0	262.353	2.554	20	30		CFEDRM
C#CCC(C)(C)C(=O)Nc1nccc(Br)c1[O-]	ZINC000913026314	622823164	/nfs/dbraw/zinc/82/31/64/622823164.db2.gz	NQUAGIKHVWKWDM-UHFFFAOYSA-N	-1	0	297.152	2.538	20	30		CFEDRM
O=C(/C=C/c1csc([N+](=O)[O-])c1)c1cc(O)ccc1[O-]	ZINC000156647754	622952360	/nfs/dbraw/zinc/95/23/60/622952360.db2.gz	GOCYLCUHRWEFJA-HNQUOIGGSA-N	-1	0	291.284	2.964	20	30		CFEDRM
N#Cc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1	ZINC000156639737	622952722	/nfs/dbraw/zinc/95/27/22/622952722.db2.gz	VXNQJQWFBQQGDA-QPJJXVBHSA-N	-1	0	265.268	2.866	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1cc(F)ccc1[O-]	ZINC000156668813	622953271	/nfs/dbraw/zinc/95/32/71/622953271.db2.gz	KKEJEPYXPJHPKR-GQCTYLIASA-N	-1	0	260.268	2.767	20	30		CFEDRM
CNC(=O)c1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1	ZINC000156722407	622962602	/nfs/dbraw/zinc/96/26/02/622962602.db2.gz	OBYFDJYKPHBFRM-RUDMXATFSA-N	-1	0	299.301	2.787	20	30		CFEDRM
CCCCCCCC(=O)N1CCC[C@@](COC)(C(=O)[O-])C1	ZINC000823362154	623297725	/nfs/dbraw/zinc/29/77/25/623297725.db2.gz	PODRDHZBBBZPKK-MRXNPFEDSA-N	-1	0	299.411	2.687	20	30		CFEDRM
O=C([O-])C1CC(N=Nc2c(F)cccc2Cl)C1	ZINC000814904849	623458209	/nfs/dbraw/zinc/45/82/09/623458209.db2.gz	BLBCCZRXNPJCFZ-UHFFFAOYSA-N	-1	0	256.664	2.742	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](CC)Nc1cccnc1Cl	ZINC000824232435	623473190	/nfs/dbraw/zinc/47/31/90/623473190.db2.gz	JCGPHIBCUZERRG-ZJUUUORDSA-N	-1	0	283.759	2.548	20	30		CFEDRM
C[C@@H]1C(=NOCCC(F)(F)F)CC[C@H]1CC(=O)[O-]	ZINC000814909314	623529634	/nfs/dbraw/zinc/52/96/34/623529634.db2.gz	GWFLTIMNNJFZLZ-YUMQZZPRSA-N	-1	0	267.247	2.832	20	30		CFEDRM
CCC[C@@H](C#N)NC(=O)c1ccc2oc(=S)[n-]c2c1	ZINC000825044505	623614792	/nfs/dbraw/zinc/61/47/92/623614792.db2.gz	WSCJGNLGLGWCAN-VIFPVBQESA-N	-1	0	275.333	2.539	20	30		CFEDRM
C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc(F)cc2C#N)C1	ZINC000825272366	623662512	/nfs/dbraw/zinc/66/25/12/623662512.db2.gz	KBNBBSLBIXDVRB-WDEREUQCSA-N	-1	0	291.326	2.570	20	30		CFEDRM
O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cc(O)cc(O)c1	ZINC000152691884	623757112	/nfs/dbraw/zinc/75/71/12/623757112.db2.gz	OJRXOPUMXGZZBM-OWOJBTEDSA-N	-1	0	292.237	2.978	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(F)c1[O-]	ZINC000826018879	623782784	/nfs/dbraw/zinc/78/27/84/623782784.db2.gz	QBNSWUNFSNRLSP-PHIMTYICSA-N	-1	0	261.296	2.855	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N2CC[C@@](C)(C(=O)[O-])C2)n1	ZINC000841496171	623798674	/nfs/dbraw/zinc/79/86/74/623798674.db2.gz	WIBPGJBGLPHYTI-MRXNPFEDSA-N	-1	0	287.363	2.552	20	30		CFEDRM
CC(C)(C)c1ccc(C#N)c(N2CC[C@](C)(C(=O)[O-])C2)n1	ZINC000841496164	623799314	/nfs/dbraw/zinc/79/93/14/623799314.db2.gz	WIBPGJBGLPHYTI-INIZCTEOSA-N	-1	0	287.363	2.552	20	30		CFEDRM
N#CCC1CN(Cc2cc(Cl)c(F)cc2[O-])C1	ZINC000826986824	623919400	/nfs/dbraw/zinc/91/94/00/623919400.db2.gz	YZHWGDQWVDQTNU-UHFFFAOYSA-N	-1	0	254.692	2.530	20	30		CFEDRM
C[C@@]1(C#N)CCN(Cc2cccc(Cl)c2[O-])C1	ZINC000827650818	624052087	/nfs/dbraw/zinc/05/20/87/624052087.db2.gz	VNVCSUVXFHQKDZ-ZDUSSCGKSA-N	-1	0	250.729	2.781	20	30		CFEDRM
C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc(C#N)cc1	ZINC000827861992	624113557	/nfs/dbraw/zinc/11/35/57/624113557.db2.gz	REAYCOKACGWLDM-JTQLQIEISA-N	-1	0	296.282	2.569	20	30		CFEDRM
COC1(C(=O)[N-]Oc2cccc(C#N)c2)CCCCCC1	ZINC000828148679	624185879	/nfs/dbraw/zinc/18/58/79/624185879.db2.gz	RHCAZULGZWDVGB-UHFFFAOYSA-N	-1	0	288.347	2.708	20	30		CFEDRM
Cc1ncsc1C(=O)/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000915987782	624204824	/nfs/dbraw/zinc/20/48/24/624204824.db2.gz	KOHOBKNWAGBQKX-HWKANZROSA-N	-1	0	290.300	2.961	20	30		CFEDRM
Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1	ZINC000915990515	624204860	/nfs/dbraw/zinc/20/48/60/624204860.db2.gz	MRIPHRLUEOASQY-BQYQJAHWSA-N	-1	0	284.315	2.550	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1	ZINC000915990957	624204992	/nfs/dbraw/zinc/20/49/92/624204992.db2.gz	UBXYOLIAQXYKPP-BJMVGYQFSA-N	-1	0	282.295	2.915	20	30		CFEDRM
CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000916240819	624230025	/nfs/dbraw/zinc/23/00/25/624230025.db2.gz	PXPMTLOPTFVWHH-UHFFFAOYSA-N	-1	0	255.277	2.616	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H]3CCCC[C@H]3C2)[n-]c1=O	ZINC000916282416	624235969	/nfs/dbraw/zinc/23/59/69/624235969.db2.gz	DWBNFQXZLIEJEK-QWRGUYRKSA-N	-1	0	275.356	2.644	20	30		CFEDRM
Cc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000916305049	624238363	/nfs/dbraw/zinc/23/83/63/624238363.db2.gz	KIPJLSUASIFWFG-UHFFFAOYSA-N	-1	0	286.282	2.776	20	30		CFEDRM
O=C([O-])COc1ccccc1C=NNc1ccc(F)cc1	ZINC000916581835	624258883	/nfs/dbraw/zinc/25/88/83/624258883.db2.gz	WVTUBOJITLQUQF-UHFFFAOYSA-N	-1	0	288.278	2.735	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNc2ncccc2Cl)ccc1[O-]	ZINC000917549546	624358594	/nfs/dbraw/zinc/35/85/94/624358594.db2.gz	SHZAGSSZTRAQMZ-UHFFFAOYSA-N	-1	0	292.682	2.795	20	30		CFEDRM
C[C@@H](CC#N)C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000830298326	624703053	/nfs/dbraw/zinc/70/30/53/624703053.db2.gz	WRRVCUJRCMQOGU-ZETCQYMHSA-N	-1	0	261.306	2.605	20	30		CFEDRM
CSCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000069543841	625150275	/nfs/dbraw/zinc/15/02/75/625150275.db2.gz	PMZJBZMHOHRORM-UHFFFAOYSA-N	-1	0	293.797	2.738	20	30		CFEDRM
C=C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)CC)c1ccccc1	ZINC000181966129	625241502	/nfs/dbraw/zinc/24/15/02/625241502.db2.gz	FJSQVGBZGMVQFD-CHWSQXEVSA-N	-1	0	295.404	2.591	20	30		CFEDRM
CCCCCCCC[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000851598242	634449567	/nfs/dbraw/zinc/44/95/67/634449567.db2.gz	PCCWVTGVTHMPLJ-NWDGAFQWSA-N	-1	0	257.374	2.962	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)c(OCC)c1	ZINC000073087187	625772014	/nfs/dbraw/zinc/77/20/14/625772014.db2.gz	ZAINDJYIZKQYGS-UHFFFAOYSA-N	-1	0	299.392	2.828	20	30		CFEDRM
C=CCC1(C(=O)N2CC3(CCC3)[C@](F)(C(=O)[O-])C2)CCC1	ZINC000851613980	634456943	/nfs/dbraw/zinc/45/69/43/634456943.db2.gz	JPBGPBOINHXWQL-MRXNPFEDSA-N	-1	0	295.354	2.538	20	30		CFEDRM
C#CC[C@@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])C1	ZINC000851616478	634458548	/nfs/dbraw/zinc/45/85/48/634458548.db2.gz	PDKCNGACAYYHCV-CQSZACIVSA-N	-1	0	299.370	2.579	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1N=Nc1cccc(F)n1	ZINC000814927923	625905907	/nfs/dbraw/zinc/90/59/07/625905907.db2.gz	NLEYUSJSGANIQY-BDAKNGLRSA-N	-1	0	265.288	2.509	20	30		CFEDRM
CCC[C@H](CN=Nc1ccccc1C(=O)[O-])OC	ZINC000834934757	625926751	/nfs/dbraw/zinc/92/67/51/625926751.db2.gz	GTUPBCHCWHWZHJ-SNVBAGLBSA-N	-1	0	250.298	2.598	20	30		CFEDRM
CC[C@H](NN=C1CC[C@H](C)c2ccsc21)C(=O)[O-]	ZINC000834981479	625944796	/nfs/dbraw/zinc/94/47/96/625944796.db2.gz	QHIGUVWNHIFOBB-WPRPVWTQSA-N	-1	0	266.366	2.802	20	30		CFEDRM
C=CCCC(N=Nc1ccc(C(=O)[O-])nc1)C1CC1	ZINC000835007125	625954475	/nfs/dbraw/zinc/95/44/75/625954475.db2.gz	PIWYFGOUXQQKRC-UHFFFAOYSA-N	-1	0	259.309	2.924	20	30		CFEDRM
CC(C)O[C@H]1CC(N=Nc2ccc(C(=O)[O-])nc2)C1(C)C	ZINC000835006293	625954483	/nfs/dbraw/zinc/95/44/83/625954483.db2.gz	CJOOAHYGRWXSEJ-ZDUSSCGKSA-N	-1	0	291.351	2.771	20	30		CFEDRM
CC[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010180	625956922	/nfs/dbraw/zinc/95/69/22/625956922.db2.gz	RXVHKPAGUOPTRW-NSHDSACASA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC[C@@H]1CC(N=Nc2ccc(C(=O)[O-])c(F)c2)CCO1	ZINC000835010179	625957108	/nfs/dbraw/zinc/95/71/08/625957108.db2.gz	RXVHKPAGUOPTRW-LLVKDONJSA-N	-1	0	280.299	2.881	20	30		CFEDRM
CC1(C)OCC[C@H]1NN=Cc1cccc(Cl)c1[O-]	ZINC000835017229	625963203	/nfs/dbraw/zinc/96/32/03/625963203.db2.gz	LJXVPXGJMKZDJT-LLVKDONJSA-N	-1	0	268.744	2.537	20	30		CFEDRM
N#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1	ZINC000921548306	625984506	/nfs/dbraw/zinc/98/45/06/625984506.db2.gz	UOMYOBPBARENFN-SNVBAGLBSA-N	-1	0	298.264	2.622	20	30		CFEDRM
CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(F)c(F)c1	ZINC000073838498	626396133	/nfs/dbraw/zinc/39/61/33/626396133.db2.gz	CHXFQDPKOUDAEI-UHFFFAOYSA-N	-1	0	291.319	2.788	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])C=Cc2ccc[nH]2)n1	ZINC000788082331	626420143	/nfs/dbraw/zinc/42/01/43/626420143.db2.gz	XKSPTLSJYDWXHP-ZWNMCFTASA-N	-1	0	257.318	2.669	20	30		CFEDRM
CCC(C#N)(CC)C(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000923063219	626448279	/nfs/dbraw/zinc/44/82/79/626448279.db2.gz	DGLXQHNREBKJHN-UHFFFAOYSA-N	-1	0	288.347	2.972	20	30		CFEDRM
Cc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1C(=O)[O-]	ZINC000923063832	626448462	/nfs/dbraw/zinc/44/84/62/626448462.db2.gz	JMFJZDMNKQWKMG-UHFFFAOYSA-N	-1	0	284.315	2.716	20	30		CFEDRM
CCC(C#N)(CC)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-]	ZINC000923076889	626449210	/nfs/dbraw/zinc/44/92/10/626449210.db2.gz	HUNOMPHQRVLEGM-ZDUSSCGKSA-N	-1	0	294.395	2.856	20	30		CFEDRM
CC[C@@](C)(C#N)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000923106100	626451523	/nfs/dbraw/zinc/45/15/23/626451523.db2.gz	XWWNDXAFFUOHLU-ZENOOKHLSA-N	-1	0	286.331	2.753	20	30		CFEDRM
C=CC(C)(C)CC(=O)NCCc1ccccc1C(=O)[O-]	ZINC000923124747	626452225	/nfs/dbraw/zinc/45/22/25/626452225.db2.gz	RBJABZJKKHCYKQ-UHFFFAOYSA-N	-1	0	275.348	2.646	20	30		CFEDRM
C=C1CCC(C(=O)NC[C@@](C)(CC(C)C)C(=O)[O-])CC1	ZINC000923188939	626455676	/nfs/dbraw/zinc/45/56/76/626455676.db2.gz	UZOKBNFGNXGLCB-MRXNPFEDSA-N	-1	0	281.396	2.986	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NOCc2ccccc2)c1	ZINC000839419822	626535872	/nfs/dbraw/zinc/53/58/72/626535872.db2.gz	PCKDTXHBANTDHK-UHFFFAOYSA-N	-1	0	272.260	2.851	20	30		CFEDRM
Cn1nncc1/C=C\C(=O)c1ccc2ccccc2c1[O-]	ZINC000757471381	626553107	/nfs/dbraw/zinc/55/31/07/626553107.db2.gz	CVZOZXMNHAZQQX-CLFYSBASSA-N	-1	0	279.299	2.570	20	30		CFEDRM
Cc1noc(C)c1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000759090728	626627461	/nfs/dbraw/zinc/62/74/61/626627461.db2.gz	LPKHYPFNKPASCQ-GQCTYLIASA-N	-1	0	288.259	2.801	20	30		CFEDRM
CO[C@](C)(C(=O)Nc1cc(C#N)ccc1[O-])c1ccccc1	ZINC000759713856	626686655	/nfs/dbraw/zinc/68/66/55/626686655.db2.gz	SPGBRETWTPCZND-KRWDZBQOSA-N	-1	0	296.326	2.764	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)C2(C(F)(F)F)CC2)c1	ZINC000759721045	626686801	/nfs/dbraw/zinc/68/68/01/626686801.db2.gz	ZADFFCXETZAQDU-UHFFFAOYSA-N	-1	0	270.210	2.545	20	30		CFEDRM
CCC(=NN=C(C)c1cnccn1)c1ccc(C(=O)[O-])cc1	ZINC000760260532	626725752	/nfs/dbraw/zinc/72/57/52/626725752.db2.gz	PVCXCKZNDZIVDX-UHFFFAOYSA-N	-1	0	296.330	2.798	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)c1ccc(CC(C)C)cc1	ZINC000762051081	626884341	/nfs/dbraw/zinc/88/43/41/626884341.db2.gz	QOECJGDOZJGAKA-UHFFFAOYSA-N	-1	0	275.348	2.598	20	30		CFEDRM
COc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000763371081	626983358	/nfs/dbraw/zinc/98/33/58/626983358.db2.gz	ZJKUOVRJUBGGRU-UHFFFAOYSA-N	-1	0	285.303	2.625	20	30		CFEDRM
Cc1cc(CN=Nc2ccc(C(=O)[O-])cn2)ccc1F	ZINC000763370281	626983622	/nfs/dbraw/zinc/98/36/22/626983622.db2.gz	QDCSPOSAAZUCAV-UHFFFAOYSA-N	-1	0	273.267	2.673	20	30		CFEDRM
Cc1c(C(=O)[O-])oc2c1C(=NOCC(F)(F)F)CCC2	ZINC000764847452	627101579	/nfs/dbraw/zinc/10/15/79/627101579.db2.gz	QNOHIJMDAZGJRY-UHFFFAOYSA-N	-1	0	291.225	2.906	20	30		CFEDRM
CC(CCCCO)N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000766677902	627214001	/nfs/dbraw/zinc/21/40/01/627214001.db2.gz	GTSPZBJZQDCQHS-UHFFFAOYSA-N	-1	0	284.743	2.989	20	30		CFEDRM
O=C([O-])Cc1ccc(C(=O)/C=C\c2cncs2)cc1	ZINC000767721247	627279930	/nfs/dbraw/zinc/27/99/30/627279930.db2.gz	LJNTUADPIOZBSX-WAYWQWQTSA-N	-1	0	273.313	2.666	20	30		CFEDRM
N#CC(C(=O)N1CCCC1)=C([O-])c1cccc2ccsc21	ZINC000767958815	627297856	/nfs/dbraw/zinc/29/78/56/627297856.db2.gz	FRKGRKTXSSJALX-ZDUSSCGKSA-N	-1	0	298.367	2.846	20	30		CFEDRM
Cc1ccc(NN=Cc2cc(Cl)cc(F)c2[O-])nn1	ZINC000768361803	627337442	/nfs/dbraw/zinc/33/74/42/627337442.db2.gz	JPOKNYCKIHIGFS-UHFFFAOYSA-N	-1	0	280.690	2.729	20	30		CFEDRM
CCc1nn(C)cc1/C=C/C(=O)c1cc(F)cc(F)c1[O-]	ZINC000770573453	627530810	/nfs/dbraw/zinc/53/08/10/627530810.db2.gz	YPCMLMIMKICICG-SNAWJCMRSA-N	-1	0	292.285	2.862	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2cscc2Cl)C(=O)O1	ZINC000771845252	627636773	/nfs/dbraw/zinc/63/67/73/627636773.db2.gz	JSXPSJSUTGABHE-ZZKXABKFSA-N	-1	0	296.731	2.630	20	30		CFEDRM
COC(=O)c1coc(C=CC(=O)c2sccc2[O-])c1	ZINC000773142597	627787850	/nfs/dbraw/zinc/78/78/50/627787850.db2.gz	DKICTMROJXTNKW-NSCUHMNNSA-N	-1	0	278.285	2.729	20	30		CFEDRM
C=CCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000773876182	627864158	/nfs/dbraw/zinc/86/41/58/627864158.db2.gz	DTBWQWZPAKZEOI-VIFPVBQESA-N	-1	0	252.270	2.825	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1cccc(Cl)c1[O-]	ZINC000775638676	628048448	/nfs/dbraw/zinc/04/84/48/628048448.db2.gz	FSCCHYMTSAFEDB-UHFFFAOYSA-N	-1	0	251.713	2.860	20	30		CFEDRM
C=CCN(C(=O)c1cccc(Cl)c1[O-])C1CC1	ZINC000775815712	628072234	/nfs/dbraw/zinc/07/22/34/628072234.db2.gz	QCRVFUQKXZKWSB-UHFFFAOYSA-N	-1	0	251.713	2.836	20	30		CFEDRM
CC(=NNc1cnnc([O-])c1Cl)C1CCSCC1	ZINC000777431283	628224642	/nfs/dbraw/zinc/22/46/42/628224642.db2.gz	WZQCGUSNWNQVGW-UHFFFAOYSA-N	-1	0	286.788	2.767	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=NOCCC(F)(F)F)c1	ZINC000777464394	628228597	/nfs/dbraw/zinc/22/85/97/628228597.db2.gz	SXUKSFFKFIQGCR-UHFFFAOYSA-N	-1	0	278.186	2.603	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C)c1	ZINC000778813444	628333672	/nfs/dbraw/zinc/33/36/72/628333672.db2.gz	AQYQMIYGJRUSTQ-CYBMUJFWSA-N	-1	0	295.404	2.543	20	30		CFEDRM
CCc1cccnc1C(C)N=Nc1ccc(C(=O)[O-])cn1	ZINC000779782916	628403327	/nfs/dbraw/zinc/40/33/27/628403327.db2.gz	JRQOYXCQONEFQW-UHFFFAOYSA-N	-1	0	284.319	2.573	20	30		CFEDRM
C#CCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000780994594	628511604	/nfs/dbraw/zinc/51/16/04/628511604.db2.gz	UHHSLONYQDPKBU-UHFFFAOYSA-N	-1	0	276.292	2.823	20	30		CFEDRM
CC(=NNc1ccnc(F)c1)c1ccc(C(=O)[O-])c(F)c1	ZINC000781133569	628525428	/nfs/dbraw/zinc/52/54/28/628525428.db2.gz	OVXRJYCHMVYFNW-UHFFFAOYSA-N	-1	0	291.257	2.894	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCSC2)cc1	ZINC000782099499	628604486	/nfs/dbraw/zinc/60/44/86/628604486.db2.gz	YWESFJDPNZSLLA-VIFPVBQESA-N	-1	0	250.323	2.536	20	30		CFEDRM
CCn1cc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cn1	ZINC000782200369	628613842	/nfs/dbraw/zinc/61/38/42/628613842.db2.gz	LQWYPJYFXSHMTD-ARJAWSKDSA-N	-1	0	276.317	2.559	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2sccc2Cl)nc1	ZINC000782266387	628621075	/nfs/dbraw/zinc/62/10/75/628621075.db2.gz	INUYBZVROIPXCQ-UHFFFAOYSA-N	-1	0	281.724	2.941	20	30		CFEDRM
CC1(C)CCC[C@@H]1NN=Cc1ccc([N+](=O)[O-])c([O-])c1	ZINC000782290318	628624815	/nfs/dbraw/zinc/62/48/15/628624815.db2.gz	XSQWCFOYDUUAKM-ZDUSSCGKSA-N	-1	0	277.324	2.803	20	30		CFEDRM
O=[N+]([O-])c1cc(C=NNC2CCCCC2)ccc1[O-]	ZINC000786043703	628932587	/nfs/dbraw/zinc/93/25/87/628932587.db2.gz	SQNRVITZPQAQMY-UHFFFAOYSA-N	-1	0	263.297	2.557	20	30		CFEDRM
C=C[C@@](C)(CC)COC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000786528384	628966226	/nfs/dbraw/zinc/96/62/26/628966226.db2.gz	NXFDANSXONGRMX-LBPRGKRZSA-N	-1	0	252.270	2.682	20	30		CFEDRM
O=C([O-])c1cccc(/C=C/C(=O)c2cncs2)c1	ZINC000787170480	628997462	/nfs/dbraw/zinc/99/74/62/628997462.db2.gz	WOZNBQIWTVVSQP-SNAWJCMRSA-N	-1	0	259.286	2.737	20	30		CFEDRM
N#C[C@@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1	ZINC000787339011	629008327	/nfs/dbraw/zinc/00/83/27/629008327.db2.gz	NJKSFTCFOFCZRN-MRVPVSSYSA-N	-1	0	278.180	2.651	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)c2nc3cccnc3s2)c1	ZINC000788305672	629057607	/nfs/dbraw/zinc/05/76/07/629057607.db2.gz	PBTDOGWMIGDLRP-UHFFFAOYSA-N	-1	0	296.311	2.521	20	30		CFEDRM
CC(=NOC1CCOCC1)c1cc(C(=O)[O-])ccc1C	ZINC000788438487	629066580	/nfs/dbraw/zinc/06/65/80/629066580.db2.gz	BIKAATUXHVITJJ-UHFFFAOYSA-N	-1	0	277.320	2.613	20	30		CFEDRM
O=C([O-])c1ccc(N=NCc2cc3ccccc3[nH]2)nc1	ZINC000788436866	629066698	/nfs/dbraw/zinc/06/66/98/629066698.db2.gz	IGNIJVOWAABUHI-UHFFFAOYSA-N	-1	0	280.287	2.707	20	30		CFEDRM
[O-]c1c(Cl)cccc1C=NN[C@@H](CO)c1ccccc1	ZINC000788469126	629071599	/nfs/dbraw/zinc/07/15/99/629071599.db2.gz	OEAUIPSRWOYRFT-AWEZNQCLSA-N	-1	0	290.750	2.703	20	30		CFEDRM
O=C([O-])[C@H]1CCC(=NOCc2cccnc2)c2ccccc21	ZINC000789034819	629119487	/nfs/dbraw/zinc/11/94/87/629119487.db2.gz	SAERSJMQSOKRGH-HNNXBMFYSA-N	-1	0	296.326	2.965	20	30		CFEDRM
O=C([N-][C@H](c1cc(F)ccc1F)C(F)F)C(F)(F)F	ZINC000790145199	629213725	/nfs/dbraw/zinc/21/37/25/629213725.db2.gz	DNLVNRDACULDPM-SSDOTTSWSA-N	-1	0	289.150	2.950	20	30		CFEDRM
CC[C@H](C)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000790180780	629216359	/nfs/dbraw/zinc/21/63/59/629216359.db2.gz	AJDPFNRGYHBBPV-ZETCQYMHSA-N	-1	0	271.704	2.676	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C)on1	ZINC000790297943	629226833	/nfs/dbraw/zinc/22/68/33/629226833.db2.gz	QZIGYBUPOWKZTB-UHFFFAOYSA-N	-1	0	289.291	2.526	20	30		CFEDRM
N#Cc1ccc(C[C@@H](C#N)C(=O)[N-]OC2CCCCC2)cc1	ZINC000792337859	629421407	/nfs/dbraw/zinc/42/14/07/629421407.db2.gz	FUSHRXGBJHWHCP-HNNXBMFYSA-N	-1	0	297.358	2.621	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-]	ZINC000793055395	629480679	/nfs/dbraw/zinc/48/06/79/629480679.db2.gz	MHJDDHUIACQBBH-CYBMUJFWSA-N	-1	0	290.363	2.577	20	30		CFEDRM
CC[C@@H](NN=C(C)[C@@H](C)c1ccc(OC)cc1)C(=O)[O-]	ZINC000793054780	629480789	/nfs/dbraw/zinc/48/07/89/629480789.db2.gz	GYXPQASFKSSLFH-QMTHXVAHSA-N	-1	0	278.352	2.627	20	30		CFEDRM
CC[C@@H](NN=C1CCC[C@H](C(F)(F)F)C1)C(=O)[O-]	ZINC000793056015	629480806	/nfs/dbraw/zinc/48/08/06/629480806.db2.gz	RJKWWIFIROWSBJ-IONNQARKSA-N	-1	0	266.263	2.548	20	30		CFEDRM
CC[C@H](NN=C(C)c1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000793056869	629480879	/nfs/dbraw/zinc/48/08/79/629480879.db2.gz	YENMKJGXBRQSLE-NSHDSACASA-N	-1	0	288.269	2.882	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccc(Br)cc1)C(=O)[O-]	ZINC000793055041	629480902	/nfs/dbraw/zinc/48/09/02/629480902.db2.gz	JBPMWFLKFKFLNC-NSHDSACASA-N	-1	0	299.168	2.626	20	30		CFEDRM
CC[C@H](NN=Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-]	ZINC000793055397	629481003	/nfs/dbraw/zinc/48/10/03/629481003.db2.gz	MHJDDHUIACQBBH-ZDUSSCGKSA-N	-1	0	290.363	2.577	20	30		CFEDRM
CC[C@H](NN=C1CCCOc2cc(Cl)ccc21)C(=O)[O-]	ZINC000793058655	629481477	/nfs/dbraw/zinc/48/14/77/629481477.db2.gz	XPQBMRIXUYWPBK-NSHDSACASA-N	-1	0	296.754	2.670	20	30		CFEDRM
CC[C@@H](NN=Cc1ccc(Oc2ccccc2)o1)C(=O)[O-]	ZINC000793057494	629481614	/nfs/dbraw/zinc/48/16/14/629481614.db2.gz	NNNHDIQVWBEBPV-CYBMUJFWSA-N	-1	0	288.303	2.859	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(C(C)(C)C)s1)C(=O)[O-]	ZINC000793072258	629482380	/nfs/dbraw/zinc/48/23/80/629482380.db2.gz	MQZIHRJGCOJBIG-JTQLQIEISA-N	-1	0	268.382	2.832	20	30		CFEDRM
CC[C@@H](NN=Cc1cc(-c2ccccc2)ccc1O)C(=O)[O-]	ZINC000793071695	629482828	/nfs/dbraw/zinc/48/28/28/629482828.db2.gz	FZMIEKADXMNDSY-OAHLLOKOSA-N	-1	0	298.342	2.846	20	30		CFEDRM
CC[C@H](NN=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC000793073000	629483573	/nfs/dbraw/zinc/48/35/73/629483573.db2.gz	XLUYWAQCPYROIT-ZDUSSCGKSA-N	-1	0	290.294	2.872	20	30		CFEDRM
CC[C@@H](NN=C1CCCOc2cc(C)c(C)cc21)C(=O)[O-]	ZINC000793073144	629483798	/nfs/dbraw/zinc/48/37/98/629483798.db2.gz	YZQHDGBGSZGBEA-CYBMUJFWSA-N	-1	0	290.363	2.633	20	30		CFEDRM
CC[C@@H](NN=CC1CCC(C(F)(F)F)CC1)C(=O)[O-]	ZINC000793077389	629484153	/nfs/dbraw/zinc/48/41/53/629484153.db2.gz	FTDWHXJAVUYVAG-UDNWOFFPSA-N	-1	0	280.290	2.794	20	30		CFEDRM
CC[C@H](NN=C1c2cccc(F)c2CC[C@@H]1C)C(=O)[O-]	ZINC000793080104	629484407	/nfs/dbraw/zinc/48/44/07/629484407.db2.gz	WBMREYCGZVXIBX-ZANVPECISA-N	-1	0	278.327	2.565	20	30		CFEDRM
CC[C@H](NN=C(C)c1ccccc1Cl)C(=O)[O-]	ZINC000793078518	629484599	/nfs/dbraw/zinc/48/45/99/629484599.db2.gz	NOEKPONMZNDPJH-NSHDSACASA-N	-1	0	254.717	2.517	20	30		CFEDRM
CC[C@@H](NN=Cc1cccc(-c2cccnc2)c1)C(=O)[O-]	ZINC000793081263	629484928	/nfs/dbraw/zinc/48/49/28/629484928.db2.gz	IYJHEBAXTTWKLN-OAHLLOKOSA-N	-1	0	283.331	2.535	20	30		CFEDRM
CC1(CNN=Cc2ccccc2C(=O)[O-])CCCC1	ZINC000793081942	629485026	/nfs/dbraw/zinc/48/50/26/629485026.db2.gz	QBLBPXDYWPFHOG-UHFFFAOYSA-N	-1	0	260.337	2.889	20	30		CFEDRM
CC[C@@H](NN=C(C)c1coc2ccccc12)C(=O)[O-]	ZINC000793080407	629485207	/nfs/dbraw/zinc/48/52/07/629485207.db2.gz	YDGFBEOSJAMRHO-GFCCVEGCSA-N	-1	0	260.293	2.610	20	30		CFEDRM
C[C@@H](Oc1cccc(C=NN[C@@H](C)C(C)(C)C)c1)C(=O)[O-]	ZINC000793112035	629488564	/nfs/dbraw/zinc/48/85/64/629488564.db2.gz	NQUFMIANUSVZGB-NEPJUHHUSA-N	-1	0	292.379	2.897	20	30		CFEDRM
O=C([O-])c1cc(C=NNc2cccc(Cl)n2)ccc1O	ZINC000793173995	629498572	/nfs/dbraw/zinc/49/85/72/629498572.db2.gz	FWASAFORKOMFDI-UHFFFAOYSA-N	-1	0	291.694	2.585	20	30		CFEDRM
N#Cc1ccc(SCC(=O)[O-])c(C(F)(F)F)c1	ZINC000794401346	629641406	/nfs/dbraw/zinc/64/14/06/629641406.db2.gz	HLRLOBGVOWMZSQ-UHFFFAOYSA-N	-1	0	261.224	2.754	20	30		CFEDRM
Cc1nnc(N=NC2CCC[C@@H](CC(C)C)C2)[n-]c1=O	ZINC000794474904	629649161	/nfs/dbraw/zinc/64/91/61/629649161.db2.gz	VQWALZVTNBMTMZ-NSHDSACASA-N	-1	0	277.372	2.890	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@@H]2CCCSC2)cc1	ZINC000794857627	629696311	/nfs/dbraw/zinc/69/63/11/629696311.db2.gz	WMGIAUORJXUFRP-JTQLQIEISA-N	-1	0	264.350	2.926	20	30		CFEDRM
Cc1nnc(N=NCC2CCC(C(C)C)CC2)[n-]c1=O	ZINC000794871663	629698011	/nfs/dbraw/zinc/69/80/11/629698011.db2.gz	LJBRZMHATKUFCY-UHFFFAOYSA-N	-1	0	277.372	2.746	20	30		CFEDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccnn1C	ZINC000794943097	629708040	/nfs/dbraw/zinc/70/80/40/629708040.db2.gz	ICQOHLCAIRBSPF-SNAWJCMRSA-N	-1	0	284.315	2.631	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)CC(C)C)CC1	ZINC000835449262	629732158	/nfs/dbraw/zinc/73/21/58/629732158.db2.gz	NEAYUTFCEXBQFQ-GFCCVEGCSA-N	-1	0	287.425	2.613	20	30		CFEDRM
C=CCC1(C(=O)[N-]S(=O)(=O)C2(CC)CC2)CCCC1	ZINC000835535737	629818211	/nfs/dbraw/zinc/81/82/11/629818211.db2.gz	YIQTZTNMOOTJEH-UHFFFAOYSA-N	-1	0	285.409	2.512	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1csc(C)c1	ZINC000796781841	629965091	/nfs/dbraw/zinc/96/50/91/629965091.db2.gz	YTVJCSFLHDNANH-LBPRGKRZSA-N	-1	0	278.377	2.685	20	30		CFEDRM
CC#CCCCC(=O)[N-]S(=O)(=O)CCC1CCCCC1	ZINC000835940311	630166874	/nfs/dbraw/zinc/16/68/74/630166874.db2.gz	QTFYFGFGWUVBRK-UHFFFAOYSA-N	-1	0	299.436	2.596	20	30		CFEDRM
O=C(C=Cc1cc(F)c([O-])c(F)c1)c1cc[nH]c(=O)c1	ZINC000798230791	630168851	/nfs/dbraw/zinc/16/88/51/630168851.db2.gz	PWHSKMGULUTDLE-OWOJBTEDSA-N	-1	0	277.226	2.667	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccoc1C1CC1	ZINC000798816632	630241561	/nfs/dbraw/zinc/24/15/61/630241561.db2.gz	NVVBHVYXRHSFPE-CYBMUJFWSA-N	-1	0	286.331	2.538	20	30		CFEDRM
O=C([O-])c1ccccc1NN=Cc1cc(C(F)(F)F)[nH]n1	ZINC000799473767	630311533	/nfs/dbraw/zinc/31/15/33/630311533.db2.gz	OWENWKGFNIYCQY-UHFFFAOYSA-N	-1	0	298.224	2.573	20	30		CFEDRM
C[C@]12C[C@H]1CCCC2N=Nc1ccc(C(=O)[O-])cn1	ZINC000799885008	630351706	/nfs/dbraw/zinc/35/17/06/630351706.db2.gz	OLZLSBBEOSAWER-YGRLFVJLSA-N	-1	0	259.309	2.758	20	30		CFEDRM
CSC1(CN=Nc2ccc(C(=O)[O-])cc2)CC1	ZINC000800804346	630406274	/nfs/dbraw/zinc/40/62/74/630406274.db2.gz	XQHDHQVYJGQJGL-UHFFFAOYSA-N	-1	0	250.323	2.678	20	30		CFEDRM
C=C(CC)COC(=O)c1nn(-c2ccccc2F)cc1[O-]	ZINC000801377844	630443432	/nfs/dbraw/zinc/44/34/32/630443432.db2.gz	AWSTXRBKZWLVPW-UHFFFAOYSA-N	-1	0	290.294	2.840	20	30		CFEDRM
N#CC(C(=O)Nc1ccccc1)=C([O-])c1coc(C2CC2)n1	ZINC000802042966	630499511	/nfs/dbraw/zinc/49/95/11/630499511.db2.gz	MQNXZEDNDUCWBD-GFCCVEGCSA-N	-1	0	295.298	2.513	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1N=NCCCC1CC1	ZINC000807982281	630929824	/nfs/dbraw/zinc/92/98/24/630929824.db2.gz	VPSRIBAKBXHAON-UHFFFAOYSA-N	-1	0	262.309	2.981	20	30		CFEDRM
C=CCO[N-]C(=O)C1(c2ccccc2F)CCCC1	ZINC000837042673	630942504	/nfs/dbraw/zinc/94/25/04/630942504.db2.gz	CFMGIPFJNJCFAK-UHFFFAOYSA-N	-1	0	263.312	2.871	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C	ZINC000837044277	630943462	/nfs/dbraw/zinc/94/34/62/630943462.db2.gz	LLMYJJAEAWEYCU-SNVBAGLBSA-N	-1	0	269.728	2.650	20	30		CFEDRM
C=CCO[N-]C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1	ZINC000837045301	630943980	/nfs/dbraw/zinc/94/39/80/630943980.db2.gz	ZFHMTGCWDGPLSQ-LBPRGKRZSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](C)Oc1cccc(C(C)C)c1	ZINC000837045103	630944263	/nfs/dbraw/zinc/94/42/63/630944263.db2.gz	XFSPPHOZIMXXNK-GFCCVEGCSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=CCO[N-]C(=O)[C@@H](CC)Oc1ccccc1Cl	ZINC000837048641	630946299	/nfs/dbraw/zinc/94/62/99/630946299.db2.gz	VMWVIHLCBSTSBB-LLVKDONJSA-N	-1	0	269.728	2.731	20	30		CFEDRM
C=CCO[N-]C(=O)C(C)(C)c1cccc(Cl)c1F	ZINC000837049095	630946368	/nfs/dbraw/zinc/94/63/68/630946368.db2.gz	ZCGJZBGNLLYCPV-UHFFFAOYSA-N	-1	0	271.719	2.991	20	30		CFEDRM
N#Cc1cnc(NCc2cc(Cl)cc(Cl)c2[O-])cn1	ZINC000808089128	630949195	/nfs/dbraw/zinc/94/91/95/630949195.db2.gz	IAYDJIGQXJVDCS-UHFFFAOYSA-N	-1	0	295.129	2.973	20	30		CFEDRM
N#Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000808089280	630949224	/nfs/dbraw/zinc/94/92/24/630949224.db2.gz	PYHNLLSVWIXLFD-UHFFFAOYSA-N	-1	0	295.129	2.973	20	30		CFEDRM
CCCCCCCS(=O)(=O)[N-][C@H](C)C(F)(F)F	ZINC000808318985	630980156	/nfs/dbraw/zinc/98/01/56/630980156.db2.gz	GWXBIEROAKUSTO-SECBINFHSA-N	-1	0	275.336	2.827	20	30		CFEDRM
N#CC1(COC(=O)c2ccc([O-])c(Cl)c2)CCC1	ZINC000837332823	631001993	/nfs/dbraw/zinc/00/19/93/631001993.db2.gz	KJFPQTBVKSWHIK-UHFFFAOYSA-N	-1	0	265.696	2.896	20	30		CFEDRM
O=C([O-])c1cc(/C=C\C(=O)c2cncc(F)c2)ccc1O	ZINC000809153734	631090720	/nfs/dbraw/zinc/09/07/20/631090720.db2.gz	CVIAWBZUGYRQHD-IWQZZHSRSA-N	-1	0	287.246	2.521	20	30		CFEDRM
CC#CCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000837639609	631094519	/nfs/dbraw/zinc/09/45/19/631094519.db2.gz	IJOYKISNKBOLKU-UHFFFAOYSA-N	-1	0	277.276	2.537	20	30		CFEDRM
O=C(C#CC1CC1)Nc1cc(Cl)c([O-])cc1F	ZINC000837653089	631097473	/nfs/dbraw/zinc/09/74/73/631097473.db2.gz	IIGZKHMNYKRQDC-UHFFFAOYSA-N	-1	0	253.660	2.537	20	30		CFEDRM
C=C[C@@H]1OCC[C@H]1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000840710246	631175554	/nfs/dbraw/zinc/17/55/54/631175554.db2.gz	RANPDELVIAVAPY-MAPUXQSFSA-N	-1	0	296.710	2.716	20	30		CFEDRM
O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1cccs1	ZINC000042244239	649996677	/nfs/dbraw/zinc/99/66/77/649996677.db2.gz	VTYFWBSEVYKPST-UHFFFAOYSA-N	-1	0	299.348	2.775	20	30		CFEDRM
O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1CCC1	ZINC000042320449	649997897	/nfs/dbraw/zinc/99/78/97/649997897.db2.gz	YIYJSHATGPLZHY-MDZDMXLPSA-N	-1	0	265.334	2.744	20	30		CFEDRM
CCCCS(=O)(=O)[N-]C(=O)c1ccc(C)cc1C	ZINC000042344417	649998267	/nfs/dbraw/zinc/99/82/67/649998267.db2.gz	YNZBVJQWGIBVED-UHFFFAOYSA-N	-1	0	269.366	2.738	20	30		CFEDRM
CCCCCC[C@](C)(NCc1nc(C#N)cs1)C(=O)[O-]	ZINC000841800572	631472749	/nfs/dbraw/zinc/47/27/49/631472749.db2.gz	HJCJPIZVOUFSSU-AWEZNQCLSA-N	-1	0	295.408	2.918	20	30		CFEDRM
C=CCC1(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@H]2C)CC1	ZINC000810983399	631491134	/nfs/dbraw/zinc/49/11/34/631491134.db2.gz	SPVOJSRFBFDBEY-CHWSQXEVSA-N	-1	0	299.436	2.758	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N/CCCc2nccs2)c1	ZINC000811625605	631588852	/nfs/dbraw/zinc/58/88/52/631588852.db2.gz	QRNNPYBBTHPEHE-NTEUORMPSA-N	-1	0	291.332	2.809	20	30		CFEDRM
CC(=NOC/C=C\Cl)c1cc(C(=O)[O-])c(C)nc1C	ZINC000811668417	631603165	/nfs/dbraw/zinc/60/31/65/631603165.db2.gz	NSJUJLMDHUFOPM-XPOPEFDLSA-N	-1	0	282.727	2.890	20	30		CFEDRM
N#Cc1csc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)n1	ZINC000811687702	631606265	/nfs/dbraw/zinc/60/62/65/631606265.db2.gz	IVHPDYHMPRWNQI-DAFODLJHSA-N	-1	0	290.325	2.671	20	30		CFEDRM
COc1ccc(C(=O)/C=C\c2nc(C#N)cs2)c([O-])c1	ZINC000811690677	631606397	/nfs/dbraw/zinc/60/63/97/631606397.db2.gz	DPELCEJWQBLQAD-PLNGDYQASA-N	-1	0	286.312	2.625	20	30		CFEDRM
CC(=NNc1ccccc1C(=O)[O-])c1cc2n(n1)CCCC2	ZINC000842521928	631651917	/nfs/dbraw/zinc/65/19/17/631651917.db2.gz	RGYIORBWFAQLLK-UHFFFAOYSA-N	-1	0	298.346	2.754	20	30		CFEDRM
CC(=NNC12CC(C1)C2)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000842544782	631660172	/nfs/dbraw/zinc/66/01/72/631660172.db2.gz	ZFHPEHNTGBJZBR-OOLXCHQQSA-N	-1	0	264.369	2.641	20	30		CFEDRM
O=C([O-])c1ccc(C=NNC23CC(C2)C3)c(Cl)c1	ZINC000842547110	631661991	/nfs/dbraw/zinc/66/19/91/631661991.db2.gz	OFXDFQPLJPRRMF-UHFFFAOYSA-N	-1	0	264.712	2.514	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	ZINC000812783537	631774784	/nfs/dbraw/zinc/77/47/84/631774784.db2.gz	UMAXKYIONFTCLF-ZDUSSCGKSA-N	-1	0	275.348	2.567	20	30		CFEDRM
C#CCO[N-]C(=O)Cc1cc2c(ccc3ccccc23)o1	ZINC000812786595	631775314	/nfs/dbraw/zinc/77/53/14/631775314.db2.gz	ORWDWVHYBXLPGI-UHFFFAOYSA-N	-1	0	279.295	2.810	20	30		CFEDRM
CC(C)[C@H](Oc1ccccc1C#N)C(=O)[N-]OC1CCC1	ZINC000812790328	631777898	/nfs/dbraw/zinc/77/78/98/631777898.db2.gz	ZOXMGSPYTUHFOB-HNNXBMFYSA-N	-1	0	288.347	2.562	20	30		CFEDRM
N#CC(=C([O-])C=C[C@H]1CCOC1)c1nc(C2CC2)cs1	ZINC000842942598	631788106	/nfs/dbraw/zinc/78/81/06/631788106.db2.gz	LKECGLYWILUQNA-CDZUPVTRSA-N	-1	0	288.372	2.789	20	30		CFEDRM
O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc([O-])c(F)c1	ZINC000814188724	632027616	/nfs/dbraw/zinc/02/76/16/632027616.db2.gz	SCBBMOURMFMADA-IWQZZHSRSA-N	-1	0	296.248	2.889	20	30		CFEDRM
O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc(F)cc1[O-]	ZINC000814190233	632028871	/nfs/dbraw/zinc/02/88/71/632028871.db2.gz	PXUXCASIAIMDCC-RJRFIUFISA-N	-1	0	296.248	2.889	20	30		CFEDRM
CC[C@@H](NN=C/C(C)=C/c1ccccc1COC)C(=O)[O-]	ZINC000814228983	632041786	/nfs/dbraw/zinc/04/17/86/632041786.db2.gz	OJVQUFKHCKRTGI-YGUIEZKXSA-N	-1	0	290.363	2.675	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000856027420	635703177	/nfs/dbraw/zinc/70/31/77/635703177.db2.gz	LHWYSIQLSZPDME-NSHDSACASA-N	-1	0	290.146	2.651	20	30		CFEDRM
C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-]	ZINC000814694609	632110107	/nfs/dbraw/zinc/11/01/07/632110107.db2.gz	RDUTVVXUVGEFQI-TVQRCGJNSA-N	-1	0	291.307	2.884	20	30		CFEDRM
O=C([O-])c1cccc(C=NNc2ccccn2)c1Cl	ZINC000814732140	632115016	/nfs/dbraw/zinc/11/50/16/632115016.db2.gz	ZKDFWHKWVKCWMI-UHFFFAOYSA-N	-1	0	275.695	2.879	20	30		CFEDRM
Cc1nnc(N=NC2CC[C@@H](c3ccccc3)C2)[n-]c1=O	ZINC000814735224	632115900	/nfs/dbraw/zinc/11/59/00/632115900.db2.gz	VXUGUUXWJHZNJG-GFCCVEGCSA-N	-1	0	283.335	2.621	20	30		CFEDRM
CC(N=Nc1ncccn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814797762	632125895	/nfs/dbraw/zinc/12/58/95/632125895.db2.gz	OWBFVPYOKNIKID-JTQLQIEISA-N	-1	0	264.329	2.546	20	30		CFEDRM
Cc1cc(N=NC(C)c2cc(C(=O)[O-])cs2)nc(C)n1	ZINC000814806994	632129193	/nfs/dbraw/zinc/12/91/93/632129193.db2.gz	AFTLKBXRJGYPRD-UHFFFAOYSA-N	-1	0	290.348	2.689	20	30		CFEDRM
C[C@H]1CC(N=Nc2cnc3ccccc3n2)CC[C@H]1C(=O)[O-]	ZINC000814830998	632133714	/nfs/dbraw/zinc/13/37/14/632133714.db2.gz	XQDNYRNBMFFGSH-CMPLNLGQSA-N	-1	0	298.346	2.919	20	30		CFEDRM
C[C@H]1CC(N=Nc2ccnc3ccccc23)CC[C@@H]1C(=O)[O-]	ZINC000814841693	632136231	/nfs/dbraw/zinc/13/62/31/632136231.db2.gz	TUAUHZZTTXZELM-AAEUAGOBSA-N	-1	0	297.358	2.945	20	30		CFEDRM
Cc1ccc(N=NCc2cc(C(=O)[O-])c(C)cc2C)nn1	ZINC000814840023	632136466	/nfs/dbraw/zinc/13/64/66/632136466.db2.gz	CCMIPHTVMROQLF-UHFFFAOYSA-N	-1	0	284.319	2.546	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(N=Nc1ccc(F)cn1)CC2	ZINC000814842279	632136931	/nfs/dbraw/zinc/13/69/31/632136931.db2.gz	AFVNEXVEQQHLSY-UHFFFAOYSA-N	-1	0	299.305	2.876	20	30		CFEDRM
Cc1cc(NN=Cc2cccc(C(=O)[O-])c2Cl)ncn1	ZINC000814846437	632137017	/nfs/dbraw/zinc/13/70/17/632137017.db2.gz	QXQYWQIXZGYUKK-UHFFFAOYSA-N	-1	0	290.710	2.583	20	30		CFEDRM
CC(CC1(C(=O)[O-])CCC1)N=NCCc1ccccc1F	ZINC000814875594	632145249	/nfs/dbraw/zinc/14/52/49/632145249.db2.gz	NUTJCVHZEVEQCK-UHFFFAOYSA-N	-1	0	292.354	2.979	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccccc1	ZINC000814887507	632150231	/nfs/dbraw/zinc/15/02/31/632150231.db2.gz	JSNZMVWLWCSPTI-YPMHNXCESA-N	-1	0	260.337	2.653	20	30		CFEDRM
O=C([O-])c1ccc(N=NC2CC[C@@H]2C2CCC2)nc1	ZINC000814890115	632150923	/nfs/dbraw/zinc/15/09/23/632150923.db2.gz	IGCGZBSOWSFBGH-LLVKDONJSA-N	-1	0	259.309	2.758	20	30		CFEDRM
C[C@@H]1C(N=Nc2ccnc(F)c2)CC[C@@H]1CC(=O)[O-]	ZINC000814902426	632156462	/nfs/dbraw/zinc/15/64/62/632156462.db2.gz	NBASSANWYIVKJL-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
Cc1cccnc1N=NC1CC[C@@H](C(=O)[O-])C[C@@H]1C	ZINC000814911365	632161043	/nfs/dbraw/zinc/16/10/43/632161043.db2.gz	DKAIRLOUCRUWOQ-WDEREUQCSA-N	-1	0	261.325	2.679	20	30		CFEDRM
Cc1cccnc1N=NC1CC(C(=O)[O-])(c2ccccc2)C1	ZINC000814911959	632161970	/nfs/dbraw/zinc/16/19/70/632161970.db2.gz	XMFGATWBTBYKAW-UHFFFAOYSA-N	-1	0	295.342	2.974	20	30		CFEDRM
CC(=NNCCc1ccccn1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814924841	632167167	/nfs/dbraw/zinc/16/71/67/632167167.db2.gz	DPOXTQARZKHWLK-ZDUSSCGKSA-N	-1	0	291.395	2.871	20	30		CFEDRM
C[C@H]1C[C@H](C(=O)[O-])CCC1N=Nc1ncccc1F	ZINC000814927289	632168495	/nfs/dbraw/zinc/16/84/95/632168495.db2.gz	GLBKHRLUVJLERH-DTWKUNHWSA-N	-1	0	265.288	2.509	20	30		CFEDRM
C[C@@H]1C[C@H](C(=O)[O-])CCC1=NNCC1CCCC1	ZINC000814933719	632171764	/nfs/dbraw/zinc/17/17/64/632171764.db2.gz	YDUIFRUUBSOSSP-ZYHUDNBSSA-N	-1	0	252.358	2.643	20	30		CFEDRM
O=C([O-])c1cccc2c1CC(=NOC/C=C\Cl)CC2	ZINC000814934096	632171855	/nfs/dbraw/zinc/17/18/55/632171855.db2.gz	LJOOLYDEEDPTSP-IFFUSAECSA-N	-1	0	279.723	2.999	20	30		CFEDRM
CC[C@@H](NN=C1COc2c1c(C)ccc2C(C)C)C(=O)[O-]	ZINC000814937094	632174155	/nfs/dbraw/zinc/17/41/55/632174155.db2.gz	UWEDBEUBZMSUPT-GFCCVEGCSA-N	-1	0	290.363	2.668	20	30		CFEDRM
CC(CCCCCCC(=O)[O-])N=Nc1ncncc1F	ZINC000814939923	632175482	/nfs/dbraw/zinc/17/54/82/632175482.db2.gz	JMBVPRAJZMYRKX-UHFFFAOYSA-N	-1	0	282.319	2.829	20	30		CFEDRM
Cc1cc(C)cc(-c2ccc(C=NNCC(=O)[O-])cc2)c1	ZINC000814958529	632179614	/nfs/dbraw/zinc/17/96/14/632179614.db2.gz	ZHGKOSMTQNAFRY-UHFFFAOYSA-N	-1	0	282.343	2.979	20	30		CFEDRM
C[C@H]1CC(=NNCC(=O)[O-])C[C@@H](c2ccccc2)C1	ZINC000814958705	632179791	/nfs/dbraw/zinc/17/97/91/632179791.db2.gz	LTSNCBMYVDWDCQ-YPMHNXCESA-N	-1	0	260.337	2.620	20	30		CFEDRM
CC(=NNCC(=O)[O-])c1ccc(-c2ccccc2F)s1	ZINC000814958589	632179866	/nfs/dbraw/zinc/17/98/66/632179866.db2.gz	DHFNYYOFWHHJHX-UHFFFAOYSA-N	-1	0	292.335	2.952	20	30		CFEDRM
C/C(C=NNCC(=O)[O-])=C\c1ccccc1C(F)(F)F	ZINC000814959298	632180007	/nfs/dbraw/zinc/18/00/07/632180007.db2.gz	ZAUZQQSLOYQFHW-HBVBQNRVSA-N	-1	0	286.253	2.769	20	30		CFEDRM
COc1ccccc1-c1ccc(C(C)NN=CC(=O)[O-])cc1	ZINC000814960088	632180054	/nfs/dbraw/zinc/18/00/54/632180054.db2.gz	KXRVDWNEVPGORI-UHFFFAOYSA-N	-1	0	298.342	2.760	20	30		CFEDRM
O=C([O-])CNN=C(CCc1ccccc1)Cc1ccccc1	ZINC000814960797	632180355	/nfs/dbraw/zinc/18/03/55/632180355.db2.gz	VPFYSILSIUJOPX-UHFFFAOYSA-N	-1	0	296.370	2.892	20	30		CFEDRM
C[C@H]1OCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1C	ZINC000844564787	632248148	/nfs/dbraw/zinc/24/81/48/632248148.db2.gz	GPGAUSFHNXBULQ-JGVFFNPUSA-N	-1	0	282.727	2.861	20	30		CFEDRM
C=C(C)CON=C1CCCc2oc(C(=O)[O-])c(C)c21	ZINC000844618004	632264454	/nfs/dbraw/zinc/26/44/54/632264454.db2.gz	WRTVPHRDKNGVKJ-UHFFFAOYSA-N	-1	0	263.293	2.919	20	30		CFEDRM
Cc1c(N=NC2CCOC[C@H]2C)cccc1C(=O)[O-]	ZINC000844624063	632267495	/nfs/dbraw/zinc/26/74/95/632267495.db2.gz	UGYOAAUISPARKD-SECBINFHSA-N	-1	0	262.309	2.518	20	30		CFEDRM
Cc1c(N=NC2CSC[C@@H]2C)cccc1C(=O)[O-]	ZINC000844624096	632267970	/nfs/dbraw/zinc/26/79/70/632267970.db2.gz	UQHRZPJWAHRAAC-QMMMGPOBSA-N	-1	0	264.350	2.844	20	30		CFEDRM
Cc1c(N=NC[C@H]2CCCOC2)cccc1C(=O)[O-]	ZINC000844623996	632267980	/nfs/dbraw/zinc/26/79/80/632267980.db2.gz	ROCSVAHWTHWRSI-LLVKDONJSA-N	-1	0	262.309	2.518	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C	ZINC000816111911	632374928	/nfs/dbraw/zinc/37/49/28/632374928.db2.gz	JNQAZKRSZIXAAQ-OAHLLOKOSA-N	-1	0	295.404	2.796	20	30		CFEDRM
C#CCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1	ZINC000816752440	632519617	/nfs/dbraw/zinc/51/96/17/632519617.db2.gz	DBEMKVQYQIORQO-UHFFFAOYSA-N	-1	0	269.304	2.524	20	30		CFEDRM
C=C(C)CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000845870760	632588211	/nfs/dbraw/zinc/58/82/11/632588211.db2.gz	PCHSKQYCCGKERO-VIFPVBQESA-N	-1	0	252.270	2.825	20	30		CFEDRM
CSCC1(CC(=O)Nc2cc(C#N)ccc2[O-])CC1	ZINC000845886041	632590851	/nfs/dbraw/zinc/59/08/51/632590851.db2.gz	BLCLTXRIGQVOEF-UHFFFAOYSA-N	-1	0	276.361	2.736	20	30		CFEDRM
CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]OCCC1CC1	ZINC000817430059	632631875	/nfs/dbraw/zinc/63/18/75/632631875.db2.gz	SNEFUJJESAIVNX-UHFFFAOYSA-N	-1	0	288.347	2.564	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)c(Cl)c(C)c1	ZINC000846157601	632650028	/nfs/dbraw/zinc/65/00/28/632650028.db2.gz	VRIXTPFSPTWKSK-JTQLQIEISA-N	-1	0	296.754	2.518	20	30		CFEDRM
N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1	ZINC000817555528	632661099	/nfs/dbraw/zinc/66/10/99/632661099.db2.gz	OIPFPAIJCUHYIK-IJLUTSLNSA-N	-1	0	256.305	2.639	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)c1ccc(F)cc1	ZINC000846536110	632725015	/nfs/dbraw/zinc/72/50/15/632725015.db2.gz	TYUDBHAVVAJWIX-CYBMUJFWSA-N	-1	0	251.301	2.943	20	30		CFEDRM
C=C(C)CO[N-]C(=O)[C@H](CC)OC1CCCCC1	ZINC000846535822	632725406	/nfs/dbraw/zinc/72/54/06/632725406.db2.gz	DUBZDICJGGUAKV-ZDUSSCGKSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CO[N-]C(=O)C1(c2ccccc2C)CCOCC1	ZINC000846538943	632728689	/nfs/dbraw/zinc/72/86/89/632728689.db2.gz	AURATBFPDHZVPI-UHFFFAOYSA-N	-1	0	289.375	2.667	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(C(C)(C)C)cc1	ZINC000846540901	632729380	/nfs/dbraw/zinc/72/93/80/632729380.db2.gz	BKEIYPVPGOLULT-GFCCVEGCSA-N	-1	0	277.364	2.985	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSc1ccc(F)cc1	ZINC000846541821	632730540	/nfs/dbraw/zinc/73/05/40/632730540.db2.gz	NQKSXIVGPBSBHI-SECBINFHSA-N	-1	0	255.314	2.540	20	30		CFEDRM
C=C(C)CO[N-]C(=O)COc1ccc(Cl)cc1C	ZINC000846541446	632730775	/nfs/dbraw/zinc/73/07/75/632730775.db2.gz	XGEWSHRZJQKRDS-UHFFFAOYSA-N	-1	0	269.728	2.651	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)CSCc1cccc(C)c1	ZINC000846542253	632730991	/nfs/dbraw/zinc/73/09/91/632730991.db2.gz	XUFOXNRDODSZLX-GFCCVEGCSA-N	-1	0	265.378	2.851	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)Cc1nc(-c2cccs2)oc1C	ZINC000846542990	632731573	/nfs/dbraw/zinc/73/15/73/632731573.db2.gz	FAXTWKBUSYEEHT-VIFPVBQESA-N	-1	0	292.360	2.876	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846543089	632731704	/nfs/dbraw/zinc/73/17/04/632731704.db2.gz	KPNLUHLEPNXBMU-UWVGGRQHSA-N	-1	0	296.348	2.698	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1	ZINC000846543088	632732329	/nfs/dbraw/zinc/73/23/29/632732329.db2.gz	KPNLUHLEPNXBMU-NXEZZACHSA-N	-1	0	296.348	2.698	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)COc1ccc(C(C)C)cc1	ZINC000846544631	632733096	/nfs/dbraw/zinc/73/30/96/632733096.db2.gz	XTDPZBISXOJTJV-GFCCVEGCSA-N	-1	0	263.337	2.811	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccc(F)c2)CCC1	ZINC000846544934	632733115	/nfs/dbraw/zinc/73/31/15/632733115.db2.gz	SGWMSPDJAJAFTQ-LLVKDONJSA-N	-1	0	263.312	2.870	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C(C)(C)Oc1ccc(F)cc1	ZINC000846544347	632733202	/nfs/dbraw/zinc/73/32/02/632733202.db2.gz	QKHPZYGSJXCPSN-SNVBAGLBSA-N	-1	0	267.300	2.605	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](C)OC1CCCCCC1	ZINC000846546915	632735009	/nfs/dbraw/zinc/73/50/09/632735009.db2.gz	GZBQAOUDIWYYTO-NWDGAFQWSA-N	-1	0	255.358	2.737	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2ccccc2C)CCOCC1	ZINC000846548756	632737170	/nfs/dbraw/zinc/73/71/70/632737170.db2.gz	GSTBGTULIWSQSD-CQSZACIVSA-N	-1	0	289.375	2.666	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2	ZINC000846550647	632738447	/nfs/dbraw/zinc/73/84/47/632738447.db2.gz	PNLQUBIJJUVDHQ-VXGBXAGGSA-N	-1	0	275.348	2.565	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@@](O)(CC)c1cccc(Cl)c1	ZINC000846552455	632739592	/nfs/dbraw/zinc/73/95/92/632739592.db2.gz	IBIMGPHMFAGKPM-QMTHXVAHSA-N	-1	0	283.755	2.560	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000846555664	632741595	/nfs/dbraw/zinc/74/15/95/632741595.db2.gz	UJNHKBXGXIRABM-ZJUUUORDSA-N	-1	0	269.728	2.730	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000846555262	632741738	/nfs/dbraw/zinc/74/17/38/632741738.db2.gz	TWODVZHPJLQJRO-CPCISQLKSA-N	-1	0	290.146	2.649	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(C2CC2)c1	ZINC000847625413	633010729	/nfs/dbraw/zinc/01/07/29/633010729.db2.gz	KNNCTAQASGDKQQ-MRXNPFEDSA-N	-1	0	296.370	2.945	20	30		CFEDRM
C=C[C@@H](C)ONC(=O)c1cccc(C(F)(F)F)c1[O-]	ZINC000848244744	633223272	/nfs/dbraw/zinc/22/32/72/633223272.db2.gz	CXZRIAGFKKKMBP-SSDOTTSWSA-N	-1	0	275.226	2.647	20	30		CFEDRM
C=C(C)CONC(=O)Cc1c(C)nc([C@@H](C)CC)nc1C	ZINC000848246459	633223864	/nfs/dbraw/zinc/22/38/64/633223864.db2.gz	ZQGXLLZPAPTZOH-NSHDSACASA-N	-1	0	291.395	2.773	20	30		CFEDRM
COCCCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415532	633253232	/nfs/dbraw/zinc/25/32/32/633253232.db2.gz	OBKBWDWJKUZCRB-UHFFFAOYSA-N	-1	0	264.325	2.528	20	30		CFEDRM
CSC1(CN=Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000848415131	633253354	/nfs/dbraw/zinc/25/33/54/633253354.db2.gz	XBWIYFMEMKNKKB-UHFFFAOYSA-N	-1	0	264.350	2.607	20	30		CFEDRM
CS[C@@H]1CCC1N=Nc1ccc(CC(=O)[O-])cc1	ZINC000848415380	633253405	/nfs/dbraw/zinc/25/34/05/633253405.db2.gz	SYGHFNAFEMCPPY-GFCCVEGCSA-N	-1	0	264.350	2.607	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CCC1=NNCc1ccc(F)c(F)c1	ZINC000848414750	633253446	/nfs/dbraw/zinc/25/34/46/633253446.db2.gz	BZYTWQFXLPWYMN-KOLCDFICSA-N	-1	0	296.317	2.931	20	30		CFEDRM
C=CCCNC(=O)N[C@](C)(CCCCCC)C(=O)[O-]	ZINC000849237863	633587915	/nfs/dbraw/zinc/58/79/15/633587915.db2.gz	JJKLREGYAUNPMW-CQSZACIVSA-N	-1	0	270.373	2.675	20	30		CFEDRM
N#CCC1(COC(=O)c2c(F)cc([O-])cc2F)CC1	ZINC000849733417	633694256	/nfs/dbraw/zinc/69/42/56/633694256.db2.gz	ZNGOHXUCZISSNE-UHFFFAOYSA-N	-1	0	267.231	2.521	20	30		CFEDRM
Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)CC#N	ZINC000850738898	634068957	/nfs/dbraw/zinc/06/89/57/634068957.db2.gz	GPEZXDTYAHHRLN-MFKMUULPSA-N	-1	0	293.326	2.918	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12	ZINC000850898478	634127449	/nfs/dbraw/zinc/12/74/49/634127449.db2.gz	HLXPAJXXHDQTNZ-JHJVBQTASA-N	-1	0	299.374	2.528	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(/C=N\CC2SCCS2)c1	ZINC000852997882	634870507	/nfs/dbraw/zinc/87/05/07/634870507.db2.gz	DKLKZOOGPCLQGR-SDQBBNPISA-N	-1	0	284.362	2.525	20	30		CFEDRM
O=C([O-])c1ccc(N=NC[C@H]2CC2(Cl)Cl)cc1	ZINC000853252738	634952320	/nfs/dbraw/zinc/95/23/20/634952320.db2.gz	SXWORZNRYABCDF-MRVPVSSYSA-N	-1	0	273.119	2.976	20	30		CFEDRM
CC[C@H]1COCC1N=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000853257975	634952957	/nfs/dbraw/zinc/95/29/57/634952957.db2.gz	GSDRGSLLMHPYJV-QMMMGPOBSA-N	-1	0	282.727	2.863	20	30		CFEDRM
O=C([O-])CNN=C(CCC(F)(F)F)CCC(F)(F)F	ZINC000853350197	634980308	/nfs/dbraw/zinc/98/03/08/634980308.db2.gz	DISJCUZQWITQKK-UHFFFAOYSA-N	-1	0	294.195	2.702	20	30		CFEDRM
COC1(C(C)N=Nc2ccc(CC(=O)[O-])cc2)CCC1	ZINC000853370471	634985018	/nfs/dbraw/zinc/98/50/18/634985018.db2.gz	NZBATCYQVBETMO-UHFFFAOYSA-N	-1	0	276.336	2.671	20	30		CFEDRM
C[C@H](Oc1cccc(C=NN2CCCC[C@H]2C)c1)C(=O)[O-]	ZINC000853378984	634986748	/nfs/dbraw/zinc/98/67/48/634986748.db2.gz	BHOKEBLMFIDICF-OLZOCXBDSA-N	-1	0	290.363	2.747	20	30		CFEDRM
O=C([O-])C1CCC(N=Nc2ccc(Cl)cn2)CC1	ZINC000853437967	634999869	/nfs/dbraw/zinc/99/98/69/634999869.db2.gz	XZYIJCZGQMLMRL-UHFFFAOYSA-N	-1	0	267.716	2.778	20	30		CFEDRM
CC(=NOCC1CCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000853439548	635000576	/nfs/dbraw/zinc/00/05/76/635000576.db2.gz	LBTXWLCNQFNRJV-UHFFFAOYSA-N	-1	0	264.281	2.841	20	30		CFEDRM
C#CCO[N-]C(=O)C1(c2cccc(F)c2)CCCCC1	ZINC000855603375	635596085	/nfs/dbraw/zinc/59/60/85/635596085.db2.gz	MZDGKNLAHPWHPE-UHFFFAOYSA-N	-1	0	275.323	2.709	20	30		CFEDRM
C=CCCO[N-]C(=O)[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000856028449	635704616	/nfs/dbraw/zinc/70/46/16/635704616.db2.gz	TVVQZZWBSIMZKO-ZDUSSCGKSA-N	-1	0	282.771	2.567	20	30		CFEDRM
C=CCCO[N-]C(=O)Cc1csc(-c2ccc(C)o2)n1	ZINC000856030002	635705689	/nfs/dbraw/zinc/70/56/89/635705689.db2.gz	LSKNURYGJGAPBG-UHFFFAOYSA-N	-1	0	292.360	2.878	20	30		CFEDRM
C=CCCO[N-]C(=O)COc1cc(C)c(Cl)c(C)c1	ZINC000856032979	635708079	/nfs/dbraw/zinc/70/80/79/635708079.db2.gz	USPZOWIPGOIPFM-UHFFFAOYSA-N	-1	0	283.755	2.960	20	30		CFEDRM
C=CCCO[N-]C(=O)CO[C@@H]1CCCc2ccccc21	ZINC000856034401	635708826	/nfs/dbraw/zinc/70/88/26/635708826.db2.gz	GBVQSAVDANDWPC-OAHLLOKOSA-N	-1	0	275.348	2.705	20	30		CFEDRM
C=CCC[C@@H](NC(=O)/C=C(/C)c1cccs1)C(=O)[O-]	ZINC000856926226	635886081	/nfs/dbraw/zinc/88/60/81/635886081.db2.gz	RMOPXCZKLDDAFN-DWOQACPDSA-N	-1	0	279.361	2.687	20	30		CFEDRM
O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccccc1	ZINC000046708716	650222155	/nfs/dbraw/zinc/22/21/55/650222155.db2.gz	FUIRBYLIXHXWLB-UHFFFAOYSA-N	-1	0	293.319	2.714	20	30		CFEDRM
Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000048425180	650266300	/nfs/dbraw/zinc/26/63/00/650266300.db2.gz	SYEJAMHQAASBKQ-UHFFFAOYSA-N	-1	0	279.317	2.590	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000049004120	650285504	/nfs/dbraw/zinc/28/55/04/650285504.db2.gz	NQFRWPCFRFKOQG-BSYHEUMXSA-N	-1	0	297.376	2.759	20	30		CFEDRM
CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1	ZINC000049004116	650285596	/nfs/dbraw/zinc/28/55/96/650285596.db2.gz	NQFRWPCFRFKOQG-OEYXZAGESA-N	-1	0	297.376	2.759	20	30		CFEDRM
N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(F)F)o1	ZINC000860478399	636893095	/nfs/dbraw/zinc/89/30/95/636893095.db2.gz	XHPXTDAMAYNKBN-VIFPVBQESA-N	-1	0	296.273	2.598	20	30		CFEDRM
Cc1nocc1C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1	ZINC000860853634	636990397	/nfs/dbraw/zinc/99/03/97/636990397.db2.gz	MBJNODPGVHJTKL-ZDUSSCGKSA-N	-1	0	294.310	2.606	20	30		CFEDRM
Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C#N)cc1	ZINC000013432562	636996129	/nfs/dbraw/zinc/99/61/29/636996129.db2.gz	QNFIMOSAKQQAEG-UHFFFAOYSA-N	-1	0	280.283	2.817	20	30		CFEDRM
C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc([C@H](C)CC)c1	ZINC000861898134	637253859	/nfs/dbraw/zinc/25/38/59/637253859.db2.gz	CWGOVYZNMMLOQX-NEPJUHHUSA-N	-1	0	290.363	2.761	20	30		CFEDRM
C=CCN(CC=C)C(=O)c1ccc2[n-]c(=S)oc2c1	ZINC000118869458	637317960	/nfs/dbraw/zinc/31/79/60/637317960.db2.gz	ISLJKVMLRXOHSZ-UHFFFAOYSA-N	-1	0	274.345	2.931	20	30		CFEDRM
C#CC[C@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1	ZINC000862570495	637437152	/nfs/dbraw/zinc/43/71/52/637437152.db2.gz	ISHPCYPQZGCDBR-JTQLQIEISA-N	-1	0	263.724	2.531	20	30		CFEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cn1)C(C)(F)F	ZINC000863106129	637556572	/nfs/dbraw/zinc/55/65/72/637556572.db2.gz	MWQLPCHYEJTSDC-UHFFFAOYSA-N	-1	0	271.267	2.859	20	30		CFEDRM
C#CCCCC(C)N=Nc1ccc(CC(=O)[O-])cc1	ZINC000863125945	637566500	/nfs/dbraw/zinc/56/65/00/637566500.db2.gz	BNOMKQPOOZCIAU-UHFFFAOYSA-N	-1	0	258.321	2.905	20	30		CFEDRM
C=C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1	ZINC000864179426	637904725	/nfs/dbraw/zinc/90/47/25/637904725.db2.gz	VFANKBQEFDANSJ-GXMKHXEJSA-N	-1	0	275.304	2.558	20	30		CFEDRM
Cc1ccc(C=NNc2ccc(C(=O)[O-])cc2)c(O)c1	ZINC000864178997	637904782	/nfs/dbraw/zinc/90/47/82/637904782.db2.gz	IHCHDMKFOUSDMA-UHFFFAOYSA-N	-1	0	270.288	2.845	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@@H](C)CC1CCCC1)C(=O)[O-]	ZINC000864182553	637906310	/nfs/dbraw/zinc/90/63/10/637906310.db2.gz	AGMZUSDSNVTUGC-CABZTGNLSA-N	-1	0	287.787	2.915	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)C=C1CCC(C)CC1)C(=O)[O-]	ZINC000864183559	637906363	/nfs/dbraw/zinc/90/63/63/637906363.db2.gz	KWKHPTKZVGPDQK-FFFFSGIJSA-N	-1	0	285.771	2.835	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)C[C@H](C)CC(C)C)C(=O)[O-]	ZINC000864183352	637906389	/nfs/dbraw/zinc/90/63/89/637906389.db2.gz	IXTLXLQLSNUSJD-KOLCDFICSA-N	-1	0	275.776	2.771	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)Cc1cc(C)cc(C)c1)C(=O)[O-]	ZINC000864186107	637907376	/nfs/dbraw/zinc/90/73/76/637907376.db2.gz	JEYOLLXBLABXQZ-CYBMUJFWSA-N	-1	0	295.766	2.558	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)[C@H](C)SCCCC)C(=O)[O-]	ZINC000864185107	637907471	/nfs/dbraw/zinc/90/74/71/637907471.db2.gz	SWAZBXSGCAHJFE-UWVGGRQHSA-N	-1	0	293.816	2.620	20	30		CFEDRM
C=C(Cl)C[C@@H](NC(=O)CCc1ccccc1C)C(=O)[O-]	ZINC000864185679	637907595	/nfs/dbraw/zinc/90/75/95/637907595.db2.gz	ZFQPQTINVCYROO-CYBMUJFWSA-N	-1	0	295.766	2.640	20	30		CFEDRM
CCn1nncc1C/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000864345396	637946058	/nfs/dbraw/zinc/94/60/58/637946058.db2.gz	VFTJTESZOJPHMF-PJQLUOCWSA-N	-1	0	299.161	2.930	20	30		CFEDRM
CS[C@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1	ZINC000864347636	637948890	/nfs/dbraw/zinc/94/88/90/637948890.db2.gz	VDPTVCBXLSIVLU-MVIYRJBDSA-N	-1	0	266.322	2.613	20	30		CFEDRM
C=C(Cl)C[C@@H](NCc1ccc(CC)o1)C(=O)[O-]	ZINC000864518646	638009041	/nfs/dbraw/zinc/00/90/41/638009041.db2.gz	PSQHGUWJLXCNHG-LLVKDONJSA-N	-1	0	257.717	2.527	20	30		CFEDRM
C=C(Cl)C[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-]	ZINC000864519307	638010052	/nfs/dbraw/zinc/01/00/52/638010052.db2.gz	KYLGEOJQFJHEQC-JQWIXIFHSA-N	-1	0	296.754	2.643	20	30		CFEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)c1ccccc1C	ZINC000076756529	650400935	/nfs/dbraw/zinc/40/09/35/650400935.db2.gz	OLCOFNIDGUFFGU-UHFFFAOYSA-N	-1	0	297.376	2.623	20	30		CFEDRM
C=CCOCCCC(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000076905577	650409986	/nfs/dbraw/zinc/40/99/86/650409986.db2.gz	PPTBOWOQMHOGTN-UHFFFAOYSA-N	-1	0	289.397	2.588	20	30		CFEDRM
CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1[O-]	ZINC000866366987	638805916	/nfs/dbraw/zinc/80/59/16/638805916.db2.gz	DYJIFOMDQQDWCO-RYUDHWBXSA-N	-1	0	284.363	2.892	20	30		CFEDRM
CCO[C@H](CC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1	ZINC000077879471	650458758	/nfs/dbraw/zinc/45/87/58/650458758.db2.gz	PLXDKIPHBUJNEU-DGCLKSJQSA-N	-1	0	299.392	2.849	20	30		CFEDRM
CCCCCCCCCS(=O)(=O)c1n[nH]c(CC)n1	ZINC000191053792	650475768	/nfs/dbraw/zinc/47/57/68/650475768.db2.gz	OSDOIEVAKIXNCM-UHFFFAOYSA-N	-1	0	287.429	2.891	20	30		CFEDRM
CC(C)c1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1	ZINC000122598840	639233038	/nfs/dbraw/zinc/23/30/38/639233038.db2.gz	MEBNUTTTXSNLJN-AWEZNQCLSA-N	-1	0	295.342	2.749	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@H]1CCCc2ccccc21	ZINC000191263598	650485566	/nfs/dbraw/zinc/48/55/66/650485566.db2.gz	XURVGARRXPWAAA-CQSZACIVSA-N	-1	0	287.359	2.596	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C	ZINC000191256798	650486061	/nfs/dbraw/zinc/48/60/61/650486061.db2.gz	LMEVLWSSONGLPV-CYBMUJFWSA-N	-1	0	275.348	2.588	20	30		CFEDRM
CC(C)(C)n1cc(/C=C/C(=O)c2cc(F)ccc2[O-])nn1	ZINC000191319566	650489729	/nfs/dbraw/zinc/48/97/29/650489729.db2.gz	OPPUAWBHBIOIKT-FNORWQNLSA-N	-1	0	289.310	2.774	20	30		CFEDRM
CCCc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)s1	ZINC000870133237	639527680	/nfs/dbraw/zinc/52/76/80/639527680.db2.gz	RIEUYLMHLZDCKO-GFCCVEGCSA-N	-1	0	290.388	2.645	20	30		CFEDRM
CCCCCC[C@H](C)C(=O)C(C#N)=C([O-])c1nccn1C	ZINC000123022748	639563246	/nfs/dbraw/zinc/56/32/46/639563246.db2.gz	DQCSBSIHDBVOFM-STQMWFEESA-N	-1	0	289.379	2.918	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)c2coc(C3CCCC3)n2)c1	ZINC000870690543	639773543	/nfs/dbraw/zinc/77/35/43/639773543.db2.gz	AIWIJVLXGZUUEG-UHFFFAOYSA-N	-1	0	297.314	2.928	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)CC2=CCCCC2)c1	ZINC000870692723	639774569	/nfs/dbraw/zinc/77/45/69/639774569.db2.gz	LXIRCHJBXPQKMJ-UHFFFAOYSA-N	-1	0	256.305	2.859	20	30		CFEDRM
CC[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)c1c(C)noc1C	ZINC000870692444	639774653	/nfs/dbraw/zinc/77/46/53/639774653.db2.gz	DYFOHQFFPJOFSJ-CQSZACIVSA-N	-1	0	299.330	2.767	20	30		CFEDRM
N#Cc1cccc(O[N-]C(=O)[C@H]2CC23CCCC3)c1	ZINC000870693039	639775680	/nfs/dbraw/zinc/77/56/80/639775680.db2.gz	VZDXFDQVQVHDPD-CYBMUJFWSA-N	-1	0	256.305	2.549	20	30		CFEDRM
C=CC1(S(=O)(=O)[N-]C(=O)C[C@@H](C)CCC=C(C)C)CC1	ZINC000870838555	641091739	/nfs/dbraw/zinc/09/17/39/641091739.db2.gz	FFHDUXXCYWRTKN-ZDUSSCGKSA-N	-1	0	299.436	2.924	20	30		CFEDRM
Cn1ccnc1C([O-])=C(C#N)C(=O)CC1CCCCCC1	ZINC000123365328	641104377	/nfs/dbraw/zinc/10/43/77/641104377.db2.gz	SOWQHRIEOHVBJB-ZDUSSCGKSA-N	-1	0	287.363	2.672	20	30		CFEDRM
CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CC)s1	ZINC000193378532	650648554	/nfs/dbraw/zinc/64/85/54/650648554.db2.gz	IPLHPWFZZKEGNE-GFCCVEGCSA-N	-1	0	292.404	2.939	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N(CC(=O)[O-])C1CCC1	ZINC000871646057	641379993	/nfs/dbraw/zinc/37/99/93/641379993.db2.gz	DJMUGNFVINASHX-UHFFFAOYSA-N	-1	0	282.384	2.628	20	30		CFEDRM
Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1CCC#N	ZINC000871947769	641522623	/nfs/dbraw/zinc/52/26/23/641522623.db2.gz	CZJCIAWOUDYMFD-LBPRGKRZSA-N	-1	0	259.284	2.777	20	30		CFEDRM
CCCCc1cc(=O)n(-c2cc(C#N)cc(Cl)n2)[n-]1	ZINC000871954540	641528562	/nfs/dbraw/zinc/52/85/62/641528562.db2.gz	KVJDUXISYMKWCX-UHFFFAOYSA-N	-1	0	276.727	2.890	20	30		CFEDRM
Cc1nnc(N=NC2CCCCc3ccccc3C2)[n-]c1=O	ZINC000872331569	641758163	/nfs/dbraw/zinc/75/81/63/641758163.db2.gz	NJODDRTYICTNAX-UHFFFAOYSA-N	-1	0	297.362	2.623	20	30		CFEDRM
[O-]c1c(C=NO[C@H]2CCCCO2)ccc(F)c1F	ZINC000872360415	641767878	/nfs/dbraw/zinc/76/78/78/641767878.db2.gz	LMGMDDZXTSYGNH-JTQLQIEISA-N	-1	0	257.236	2.548	20	30		CFEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCCCO1	ZINC000872360547	641768164	/nfs/dbraw/zinc/76/81/64/641768164.db2.gz	PPUXZDZTHMQAIM-LBPRGKRZSA-N	-1	0	291.351	2.773	20	30		CFEDRM
CC(C)(CN=Nc1ccc(C(=O)[O-])cn1)[C@H]1CCCCO1	ZINC000872360546	641768577	/nfs/dbraw/zinc/76/85/77/641768577.db2.gz	PPUXZDZTHMQAIM-GFCCVEGCSA-N	-1	0	291.351	2.773	20	30		CFEDRM
O=C([O-])c1ccc(N=NCCCOCC(F)F)cc1F	ZINC000872379584	641781832	/nfs/dbraw/zinc/78/18/32/641781832.db2.gz	DCHAOGOWRRNCNX-UHFFFAOYSA-N	-1	0	290.241	2.593	20	30		CFEDRM
O=C([O-])c1cccc(C=NNC[C@H]2CCCC2(F)F)c1	ZINC000872406704	641796397	/nfs/dbraw/zinc/79/63/97/641796397.db2.gz	LDSUUEXZUYKESM-GFCCVEGCSA-N	-1	0	282.290	2.744	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1sccc1C(F)F)C(=O)[O-]	ZINC000872724718	641912122	/nfs/dbraw/zinc/91/21/22/641912122.db2.gz	KUYMEJMUTIZZMM-MRVPVSSYSA-N	-1	0	289.303	2.835	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)c1ccc(C(=O)[O-])nc1	ZINC000872752443	641921798	/nfs/dbraw/zinc/92/17/98/641921798.db2.gz	MYUNIYNEWDJTBH-UHFFFAOYSA-N	-1	0	276.336	2.502	20	30		CFEDRM
C=CCC1(CNC(=O)C(C)(C)SCC(=O)[O-])CCCC1	ZINC000872871070	641954109	/nfs/dbraw/zinc/95/41/09/641954109.db2.gz	FBULZJUXGUIZIQ-UHFFFAOYSA-N	-1	0	299.436	2.836	20	30		CFEDRM
CCCCCCCNC(=O)[C@H](C)S[C@@H](C)C(=O)[O-]	ZINC000872882916	641955844	/nfs/dbraw/zinc/95/58/44/641955844.db2.gz	ZYWRKKUVFZBZAJ-QWRGUYRKSA-N	-1	0	275.414	2.668	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2coc(C(C)(C)C)n2)nc(C)n1	ZINC000873498286	642224177	/nfs/dbraw/zinc/22/41/77/642224177.db2.gz	UJWOQHRUSNYIOF-LLVKDONJSA-N	-1	0	298.346	2.869	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000874404656	642379651	/nfs/dbraw/zinc/37/96/51/642379651.db2.gz	HNLJLVCSPYLZHE-UHFFFAOYSA-N	-1	0	284.400	2.779	20	30		CFEDRM
C=CC(C)(C)CCCNC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1	ZINC000874420702	642381476	/nfs/dbraw/zinc/38/14/76/642381476.db2.gz	RCPKDEISYGXSDJ-CHWSQXEVSA-N	-1	0	296.411	2.731	20	30		CFEDRM
N#Cc1cc(-c2ccc(C=O)s2)ccc1CC(=O)[O-]	ZINC000874970839	642567728	/nfs/dbraw/zinc/56/77/28/642567728.db2.gz	CVWBXDBUVVABAF-UHFFFAOYSA-N	-1	0	271.297	2.726	20	30		CFEDRM
N#Cc1ccc(OCC(=O)[O-])cc1-c1cccc(C=O)c1	ZINC000874972315	642569306	/nfs/dbraw/zinc/56/93/06/642569306.db2.gz	XXCDDNYNAQWUDX-UHFFFAOYSA-N	-1	0	281.267	2.501	20	30		CFEDRM
CO[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccccc1	ZINC000086055337	650794865	/nfs/dbraw/zinc/79/48/65/650794865.db2.gz	BGNPHPGDTXTNGI-CYBMUJFWSA-N	-1	0	297.376	2.603	20	30		CFEDRM
Cc1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCC2)o1	ZINC000086055614	650794962	/nfs/dbraw/zinc/79/49/62/650794962.db2.gz	RVSFVZJSOIFOBJ-UHFFFAOYSA-N	-1	0	285.365	2.750	20	30		CFEDRM
O=C(C=C1CCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000088800530	650819854	/nfs/dbraw/zinc/81/98/54/650819854.db2.gz	LXJULGGFTYOPDU-UHFFFAOYSA-N	-1	0	283.324	2.722	20	30		CFEDRM
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H]1CCCCO1	ZINC000088813792	650821567	/nfs/dbraw/zinc/82/15/67/650821567.db2.gz	YKVYVDLSTIXJHI-NWDGAFQWSA-N	-1	0	291.413	2.668	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000089964062	650860417	/nfs/dbraw/zinc/86/04/17/650860417.db2.gz	QORFPCIQZMCEMJ-BAQGIRSFSA-N	-1	0	273.741	2.951	20	30		CFEDRM
CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000089963908	650860534	/nfs/dbraw/zinc/86/05/34/650860534.db2.gz	VWYDDYPNICBZSB-WTKPLQERSA-N	-1	0	281.333	2.501	20	30		CFEDRM
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000091125603	650892341	/nfs/dbraw/zinc/89/23/41/650892341.db2.gz	LKFCEUXZYWEKDF-UHFFFAOYSA-N	-1	0	295.360	2.623	20	30		CFEDRM
C=CCNC(=O)C(C#N)=C([O-])c1cccc(-c2ccoc2)c1	ZINC000127859120	644341011	/nfs/dbraw/zinc/34/10/11/644341011.db2.gz	QQXXWOOLSBPSSP-HNNXBMFYSA-N	-1	0	294.310	2.571	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1C	ZINC000092465500	650920573	/nfs/dbraw/zinc/92/05/73/650920573.db2.gz	XQZTUNNXRMTGME-UHFFFAOYSA-N	-1	0	282.727	2.753	20	30		CFEDRM
C=C[C@@H](C)O[N-]C(=O)C1(c2cccnc2)CC2(CCC2)C1	ZINC000880549540	644761498	/nfs/dbraw/zinc/76/14/98/644761498.db2.gz	YXUFBSSEMSTWBX-CYBMUJFWSA-N	-1	0	286.375	2.906	20	30		CFEDRM
CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1	ZINC000128673765	644852196	/nfs/dbraw/zinc/85/21/96/644852196.db2.gz	CKIQIUSSMZOXCN-CYBMUJFWSA-N	-1	0	290.363	2.915	20	30		CFEDRM
C=CCCC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1	ZINC000130018153	645441729	/nfs/dbraw/zinc/44/17/29/645441729.db2.gz	JNFLCYMNGYRXDM-UHFFFAOYSA-N	-1	0	281.377	2.581	20	30		CFEDRM
CCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000028539098	645926374	/nfs/dbraw/zinc/92/63/74/645926374.db2.gz	NJIYXAMLJYXSKJ-LBPRGKRZSA-N	-1	0	257.374	2.962	20	30		CFEDRM
Cc1cccc(C(=O)Nc2cc(C#N)ccc2[O-])c1F	ZINC000133725421	646217219	/nfs/dbraw/zinc/21/72/19/646217219.db2.gz	IOSQZCXQSLWGAS-UHFFFAOYSA-N	-1	0	270.263	2.964	20	30		CFEDRM
CO[C@H]1CCCC(=NNc2cnnc([O-])c2Cl)CC1	ZINC000884408020	646343555	/nfs/dbraw/zinc/34/35/55/646343555.db2.gz	UKQNPKLFXACPKW-VIFPVBQESA-N	-1	0	284.747	2.583	20	30		CFEDRM
C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C2CC2)c(C#N)c1	ZINC000887315753	647267509	/nfs/dbraw/zinc/26/75/09/647267509.db2.gz	ANNYDZONUCWWGC-SNVBAGLBSA-N	-1	0	286.331	2.875	20	30		CFEDRM
N#CC1(C(=O)[N-]OCCOc2ccccc2)CCCCC1	ZINC000889448191	647573431	/nfs/dbraw/zinc/57/34/31/647573431.db2.gz	UMFDILVOYYPUEV-UHFFFAOYSA-N	-1	0	288.347	2.587	20	30		CFEDRM
N#Cc1cc(F)c(N2CCCC[C@@H]2CC(=O)[O-])c(F)c1	ZINC000126926596	647857626	/nfs/dbraw/zinc/85/76/26/647857626.db2.gz	CQGVEQJZOOTMHQ-SNVBAGLBSA-N	-1	0	280.274	2.670	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229240846	776762348	/nfs/dbraw/zinc/76/23/48/776762348.db2.gz	YTGRJNSOWYZVFL-JTQLQIEISA-N	-1	0	272.304	2.525	20	30		CFEDRM
CC#CC[C@H](CC)Oc1[n-]c(=O)nc2cccc(OC)c21	ZINC001229239248	776762500	/nfs/dbraw/zinc/76/25/00/776762500.db2.gz	LMWUYVBHSZQLEL-NSHDSACASA-N	-1	0	286.331	2.915	20	30		CFEDRM
N#Cc1cc(Nc2cccc(F)c2O)c([O-])cc1F	ZINC001210202635	770232455	/nfs/dbraw/zinc/23/24/55/770232455.db2.gz	SSSQHMWRGSEQME-UHFFFAOYSA-N	-1	0	262.215	2.991	20	30		CFEDRM
O=C1c2ccc(O)cc2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000588535144	770949429	/nfs/dbraw/zinc/94/94/29/770949429.db2.gz	PKVZTYRXQAWRKY-WZUFQYTHSA-N	-1	0	297.266	2.828	20	30		CFEDRM
N#Cc1ccccc1CNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001167637386	773204912	/nfs/dbraw/zinc/20/49/12/773204912.db2.gz	VXQWZUHFWDIHBX-UHFFFAOYSA-N	-1	0	297.270	2.777	20	30		CFEDRM
O=C([O-])c1cccc(/C=C\C(=O)c2cnccn2)c1Cl	ZINC000588559433	773206406	/nfs/dbraw/zinc/20/64/06/773206406.db2.gz	MNKJAVZNSVLBLU-PLNGDYQASA-N	-1	0	288.690	2.724	20	30		CFEDRM
CCCCCCC[C@@H](C)OCC[P@@](=O)([O-])O	ZINC001224603824	775224515	/nfs/dbraw/zinc/22/45/15/775224515.db2.gz	BXHPXSGSCMNPIA-LLVKDONJSA-N	-1	0	252.291	2.930	20	30		CFEDRM
C=CCN(CC(=O)[O-])C(=O)/C(C)=C\c1cccc(Cl)c1	ZINC000588592736	775243793	/nfs/dbraw/zinc/24/37/93/775243793.db2.gz	URWITVSFJUBJDH-FLIBITNWSA-N	-1	0	293.750	2.843	20	30		CFEDRM
CC1=CC(=O)C(=C([O-])C=Cc2sccc2Cl)C(=O)O1	ZINC000588601444	775268164	/nfs/dbraw/zinc/26/81/64/775268164.db2.gz	MLQNVFHQQNYWHV-ZZKXABKFSA-N	-1	0	296.731	2.630	20	30		CFEDRM
Cc1cc(C(=O)[O-])ccc1Nc1cc(F)cnc1C#N	ZINC001211620773	775278474	/nfs/dbraw/zinc/27/84/74/775278474.db2.gz	FYDKBNRNYSYQAL-UHFFFAOYSA-N	-1	0	271.251	2.843	20	30		CFEDRM
C=CCCCCCCCCCOC(=O)[C@H](O)CC(=O)[O-]	ZINC001224916380	775308392	/nfs/dbraw/zinc/30/83/92/775308392.db2.gz	NADYQVNEUIOGPI-CYBMUJFWSA-N	-1	0	286.368	2.672	20	30		CFEDRM
N#Cc1ccc(CCNc2ccccc2C(=O)[O-])cc1	ZINC001167678648	775324299	/nfs/dbraw/zinc/32/42/99/775324299.db2.gz	SKSQAGIIZJXFHU-UHFFFAOYSA-N	-1	0	266.300	2.911	20	30		CFEDRM
Cc1cc(=O)c(C#N)c(O[C@@H](C)c2ncccc2F)[nH]1	ZINC001225470108	775468545	/nfs/dbraw/zinc/46/85/45/775468545.db2.gz	QWTKJXCEANSWKJ-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
N#C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1	ZINC001225489843	775478369	/nfs/dbraw/zinc/47/83/69/775478369.db2.gz	CBXAUZALJVVDPY-AWEZNQCLSA-N	-1	0	270.244	2.944	20	30		CFEDRM
C=C[C@@H]1O[C@@H](Oc2ccc([S-])cc2)[C@H]2OC(C)(C)O[C@@H]12	ZINC001225557926	775499217	/nfs/dbraw/zinc/49/92/17/775499217.db2.gz	LEAWSBLCMXATRS-XDQVBPFNSA-N	-1	0	294.372	2.785	20	30		CFEDRM
N#C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1ccccc1F	ZINC001225563120	775502513	/nfs/dbraw/zinc/50/25/13/775502513.db2.gz	QVKJUBGBOSLZQD-VIFPVBQESA-N	-1	0	279.658	2.618	20	30		CFEDRM
CC#CC[C@H](CC)Oc1nc(=O)[nH]cc1C(F)(F)F	ZINC001225576466	775508309	/nfs/dbraw/zinc/50/83/09/775508309.db2.gz	IRVHWPIQCGBDNH-QMMMGPOBSA-N	-1	0	274.242	2.772	20	30		CFEDRM
Cc1noc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N	ZINC001211648001	775662672	/nfs/dbraw/zinc/66/26/72/775662672.db2.gz	PZCHKFCMKWDRCX-UHFFFAOYSA-N	-1	0	257.249	2.605	20	30		CFEDRM
N#Cc1cc(F)c(=O)[n-]c1O[C@@H](c1cccnc1)C1CC1	ZINC001226008569	775666659	/nfs/dbraw/zinc/66/66/59/775666659.db2.gz	IXWGTMIHGJTGTK-CYBMUJFWSA-N	-1	0	285.278	2.723	20	30		CFEDRM
N#Cc1c(OC2CC=CC2)[n-]c(=O)cc1C(F)(F)F	ZINC001226066118	775686705	/nfs/dbraw/zinc/68/67/05/775686705.db2.gz	YTVHMEGEWJFTFO-UHFFFAOYSA-N	-1	0	270.210	2.775	20	30		CFEDRM
Cc1cc(=O)[n-]c(OC2CCC(F)(F)CC2)c1C#N	ZINC001226222179	775741173	/nfs/dbraw/zinc/74/11/73/775741173.db2.gz	UTPCUCWAXFWGAE-UHFFFAOYSA-N	-1	0	268.263	2.924	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2cccnc2)c1C#N	ZINC001226222033	775741443	/nfs/dbraw/zinc/74/14/43/775741443.db2.gz	SQJAQVZIPVLGHR-SNVBAGLBSA-N	-1	0	255.277	2.502	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@@H](C)COC(C)(C)C)c1C#N	ZINC001226222036	775741812	/nfs/dbraw/zinc/74/18/12/775741812.db2.gz	SSYMRWIMGFBWLK-JTQLQIEISA-N	-1	0	264.325	2.550	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C)c2ncccc2F)c1C#N	ZINC001226224073	775742401	/nfs/dbraw/zinc/74/24/01/775742401.db2.gz	ZVNKYGCJICHQJD-SECBINFHSA-N	-1	0	273.267	2.641	20	30		CFEDRM
Cc1cc(=O)[n-]c(O[C@H](C#N)c2cccc(F)c2)c1C#N	ZINC001226223824	775742730	/nfs/dbraw/zinc/74/27/30/775742730.db2.gz	VDJHJMZLYOZZRQ-CYBMUJFWSA-N	-1	0	283.262	2.750	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1O[C@H](C)C1=CC=C[CH]1	ZINC001226305360	775774129	/nfs/dbraw/zinc/77/41/29/775774129.db2.gz	KZLYQWMIOKYMRK-LLVKDONJSA-N	-1	0	268.292	2.813	20	30		CFEDRM
C=CCOc1ccccc1[C@H](C)Oc1nccc(=O)[n-]1	ZINC001226326757	775779687	/nfs/dbraw/zinc/77/96/87/775779687.db2.gz	NIWUYKCKVLGGFP-NSHDSACASA-N	-1	0	272.304	2.887	20	30		CFEDRM
Cc1nc(O[C@@H](CC#N)c2ccccc2)c(F)c(=O)[n-]1	ZINC001226425682	775818441	/nfs/dbraw/zinc/81/84/41/775818441.db2.gz	ZUZFRCUIPJJRGY-NSHDSACASA-N	-1	0	273.267	2.664	20	30		CFEDRM
C=CC(C=C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226555043	775871293	/nfs/dbraw/zinc/87/12/93/775871293.db2.gz	ATNQLIWHKDENLI-UHFFFAOYSA-N	-1	0	263.684	2.503	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226553600	775871412	/nfs/dbraw/zinc/87/14/12/775871412.db2.gz	OYSAUAJMSYTWKD-MRVPVSSYSA-N	-1	0	277.711	2.565	20	30		CFEDRM
C#C[C@H](CCCC)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226555722	775871746	/nfs/dbraw/zinc/87/17/46/775871746.db2.gz	FYMRMRCDLMOFQO-SECBINFHSA-N	-1	0	291.738	2.955	20	30		CFEDRM
C#C[C@H](CC(C)C)Oc1[n-]c(=O)nc2nc(Cl)ccc21	ZINC001226556471	775873365	/nfs/dbraw/zinc/87/33/65/775873365.db2.gz	NSMUZPQFMYJPBR-SECBINFHSA-N	-1	0	291.738	2.811	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH]c(=O)nc3cnncc32)C1	ZINC001226689078	775921721	/nfs/dbraw/zinc/92/17/21/775921721.db2.gz	ZGMUVRBTPKGMLL-SMDDNHRTSA-N	-1	0	298.346	2.805	20	30		CFEDRM
CC#CC[C@H](CC)Oc1nc(=O)[n-]c(C)c1Br	ZINC001226788503	775965383	/nfs/dbraw/zinc/96/53/83/775965383.db2.gz	WNEJVIMQARWYBQ-VIFPVBQESA-N	-1	0	299.168	2.824	20	30		CFEDRM
C=C[C@H](CCCCC)Oc1[nH]c(=O)ncc1OC	ZINC001226822128	775978269	/nfs/dbraw/zinc/97/82/69/775978269.db2.gz	JSIHTZUVNXZYJL-SNVBAGLBSA-N	-1	0	252.314	2.705	20	30		CFEDRM
CCC[C@@H](CC(=O)OCC)Oc1cc(C#N)ccc1O	ZINC001227345262	776180502	/nfs/dbraw/zinc/18/05/02/776180502.db2.gz	MHCAFASDNSDXTA-LBPRGKRZSA-N	-1	0	277.320	2.765	20	30		CFEDRM
Cc1nnc(=S)[n-]c1O[C@H](CC#N)c1ccccc1	ZINC001227598604	776238831	/nfs/dbraw/zinc/23/88/31/776238831.db2.gz	KZGFVPWVGOMECE-LLVKDONJSA-N	-1	0	272.333	2.503	20	30		CFEDRM
N#CC[C@H](Oc1[n-]c(=O)nc2ncsc21)c1ccccc1	ZINC001227611257	776243165	/nfs/dbraw/zinc/24/31/65/776243165.db2.gz	OQFCWKMOJYFUQW-JTQLQIEISA-N	-1	0	298.327	2.826	20	30		CFEDRM
C=CCC[C@H](CC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227715852	776268462	/nfs/dbraw/zinc/26/84/62/776268462.db2.gz	HRCGTYXKPFOXQB-UWVGGRQHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=C[C@@H](CCCC)Oc1nc(=O)[n-]c2c1CO[C@H]2C	ZINC001227716163	776268654	/nfs/dbraw/zinc/26/86/54/776268654.db2.gz	LSECSZDQQMYVQJ-UWVGGRQHSA-N	-1	0	264.325	2.897	20	30		CFEDRM
C=CC[C@H](CCC)Oc1[n-]c(=O)nc2cccnc21	ZINC001228008355	776361527	/nfs/dbraw/zinc/36/15/27/776361527.db2.gz	MXVOTDMMRIYPIE-SNVBAGLBSA-N	-1	0	259.309	2.854	20	30		CFEDRM
Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(F)c(C#N)c2)c1	ZINC001143519054	776365824	/nfs/dbraw/zinc/36/58/24/776365824.db2.gz	TWJSYNPBJLQPIH-UHFFFAOYSA-N	-1	0	298.273	2.776	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]ncc(=O)c1Cl	ZINC001228386667	776477951	/nfs/dbraw/zinc/47/79/51/776477951.db2.gz	GLUPDMPPMITHIF-VIFPVBQESA-N	-1	0	254.717	2.797	20	30		CFEDRM
N#C[C@H](Oc1[n-]ncc(=O)c1Cl)c1ccccc1F	ZINC001228390410	776479143	/nfs/dbraw/zinc/47/91/43/776479143.db2.gz	MHLRMZZMLZQNFV-JTQLQIEISA-N	-1	0	279.658	2.618	20	30		CFEDRM
C=CCOc1ccccc1[C@@H](C)Oc1nc(O)cc(=O)[n-]1	ZINC001228387488	776479187	/nfs/dbraw/zinc/47/91/87/776479187.db2.gz	BTKUDOOPOZFZQV-SNVBAGLBSA-N	-1	0	288.303	2.593	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1ccccc1[N+](=O)[O-]	ZINC001228902459	776651177	/nfs/dbraw/zinc/65/11/77/776651177.db2.gz	RGMDJSHOCMKQQF-VIFPVBQESA-N	-1	0	285.259	2.707	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)ccc1C#N)c1cccc([N+](=O)[O-])c1	ZINC001228902547	776651577	/nfs/dbraw/zinc/65/15/77/776651577.db2.gz	RMIJEQUWNCCSFD-VIFPVBQESA-N	-1	0	285.259	2.707	20	30		CFEDRM
Cc1ccccc1OC[C@@H](C)Oc1[n-]c(=O)ccc1C#N	ZINC001228903153	776653042	/nfs/dbraw/zinc/65/30/42/776653042.db2.gz	VRKCSFHNGIRBBE-GFCCVEGCSA-N	-1	0	284.315	2.814	20	30		CFEDRM
C#C[C@H]1CCC[C@@H]1Oc1[n-]c(=O)nc2cc(OC)ccc21	ZINC001229137890	776729905	/nfs/dbraw/zinc/72/99/05/776729905.db2.gz	PDVIYHSRZUEVPY-HZMBPMFUSA-N	-1	0	284.315	2.525	20	30		CFEDRM
CC#C[C@H](CC)Oc1[n-]c(=O)nc2c(C)cccc21	ZINC001229407426	776803091	/nfs/dbraw/zinc/80/30/91/776803091.db2.gz	KUDIDTPGTBALSG-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
CCC#C[C@H](C)Oc1[n-]c(=O)nc2c(C)cccc21	ZINC001229408572	776804797	/nfs/dbraw/zinc/80/47/97/776804797.db2.gz	WNYXNIGTKROBRH-NSHDSACASA-N	-1	0	256.305	2.825	20	30		CFEDRM
C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(Cl)[n-]c(=O)n2)C1	ZINC001230241868	776964313	/nfs/dbraw/zinc/96/43/13/776964313.db2.gz	QWXCAFNHMURVFI-UWVGGRQHSA-N	-1	0	281.743	2.910	20	30		CFEDRM
C#C[C@@H]1CCC[C@H]1Oc1[n-]c(=O)nc2cc(F)ccc21	ZINC001230882998	777080526	/nfs/dbraw/zinc/08/05/26/777080526.db2.gz	IKYFYTDRRXKDFW-NOZJJQNGSA-N	-1	0	272.279	2.655	20	30		CFEDRM
C#CC[C@H](C)Oc1[n-]c(=O)nc2cccc(Cl)c21	ZINC001230886175	777081878	/nfs/dbraw/zinc/08/18/78/777081878.db2.gz	PDTWDFHWQKYWBZ-QMMMGPOBSA-N	-1	0	262.696	2.779	20	30		CFEDRM
CC#C[C@@H](CC)Oc1[n-]c(=O)nc2cccc(F)c21	ZINC001231072607	777131898	/nfs/dbraw/zinc/13/18/98/777131898.db2.gz	CMRDYABYRBDZHK-SECBINFHSA-N	-1	0	260.268	2.655	20	30		CFEDRM
C#C[C@@H](CCCCC)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-]	ZINC001231259361	777179227	/nfs/dbraw/zinc/17/92/27/777179227.db2.gz	KIZMQRVAKVODSE-NSHDSACASA-N	-1	0	278.308	2.965	20	30		CFEDRM
Cc1cc(=O)c([N+](=O)[O-])c(O[C@@H](C)CC(C)(C)S)[n-]1	ZINC001231264059	777180425	/nfs/dbraw/zinc/18/04/25/777180425.db2.gz	OIPVDXDRCARMQA-QMMMGPOBSA-N	-1	0	286.353	2.870	20	30		CFEDRM
CCC#C[C@@H](C)Oc1[n-]c(=O)nc2c(OC)cccc21	ZINC001231348156	777198707	/nfs/dbraw/zinc/19/87/07/777198707.db2.gz	DKDRATORRZFQBW-SNVBAGLBSA-N	-1	0	272.304	2.525	20	30		CFEDRM
CCCN(CCC#N)Cc1ccc(C(=O)[O-])s1	ZINC001231463608	777227176	/nfs/dbraw/zinc/22/71/76/777227176.db2.gz	KGTIIGAPYOUDNJ-UHFFFAOYSA-N	-1	0	252.339	2.572	20	30		CFEDRM
Cc1ccc([C@H](C)Oc2[n-]c(=O)c(F)cc2C#N)cn1	ZINC001226008970	777376612	/nfs/dbraw/zinc/37/66/12/777376612.db2.gz	OWWXBDQGFJIYPA-VIFPVBQESA-N	-1	0	273.267	2.641	20	30		CFEDRM
Cc1nc2c(s1)CN(Cc1cc(C#N)ccc1[O-])C2	ZINC001232678277	777638589	/nfs/dbraw/zinc/63/85/89/777638589.db2.gz	SRJOJXSBHVWXAT-UHFFFAOYSA-N	-1	0	271.345	2.545	20	30		CFEDRM
N#Cc1ccc([O-])c(CN2CCc3nc(Cl)ccc3C2)c1	ZINC001232680042	777640320	/nfs/dbraw/zinc/64/03/20/777640320.db2.gz	XGHGAKKSKLZMJZ-UHFFFAOYSA-N	-1	0	299.761	2.871	20	30		CFEDRM
CC[C@@]1(C(=O)[O-])CCCN(c2c(F)cc(C#N)cc2F)C1	ZINC000126935652	777647234	/nfs/dbraw/zinc/64/72/34/777647234.db2.gz	RTJYDCKFVRFANE-OAHLLOKOSA-N	-1	0	294.301	2.918	20	30		CFEDRM
N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccsc2)c1	ZINC000714359977	778005445	/nfs/dbraw/zinc/00/54/45/778005445.db2.gz	QESFGTXXGCTSGW-UHFFFAOYSA-N	-1	0	282.321	2.560	20	30		CFEDRM
CCCCCCC[C@H](C)Oc1[nH]c(=O)nc2cn[n-]c21	ZINC001233934664	778117650	/nfs/dbraw/zinc/11/76/50/778117650.db2.gz	NXALBGSUHUUOGQ-JTQLQIEISA-N	-1	0	278.356	2.774	20	30		CFEDRM
C#C[C@H]1CCC[C@H]1Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234043965	778151174	/nfs/dbraw/zinc/15/11/74/778151174.db2.gz	HEVVDHKPBYQLJZ-GXFFZTMASA-N	-1	0	284.315	2.530	20	30		CFEDRM
C=CC[C@@H](C=C)Oc1nc2c(cccc2C(=O)OC)[nH]1	ZINC001234046081	778151956	/nfs/dbraw/zinc/15/19/56/778151956.db2.gz	XXXWIGXUXWWYIP-SNVBAGLBSA-N	-1	0	272.304	2.859	20	30		CFEDRM
C=C[C@@H](CCC)Oc1[n-]c(=O)nc2cccc(C#N)c21	ZINC001234513501	778240588	/nfs/dbraw/zinc/24/05/88/778240588.db2.gz	MMPWRYPCVNSQLQ-NSHDSACASA-N	-1	0	269.304	2.941	20	30		CFEDRM
C[C@H](Oc1[n-]c(=O)nc2ccc(C#N)cc21)C(F)(F)F	ZINC001234515245	778241266	/nfs/dbraw/zinc/24/12/66/778241266.db2.gz	HVIMNEOPIGSQPU-LURJTMIESA-N	-1	0	283.209	2.537	20	30		CFEDRM
CCOCC/N=C/c1cc(Br)ccc1O	ZINC000127974989	778465626	/nfs/dbraw/zinc/46/56/26/778465626.db2.gz	MIJBINMBSFXGPO-MDWZMJQESA-N	-1	0	272.142	2.610	20	30		CFEDRM
CCCCCCCC(=O)NCc1ccc(C(=O)[O-])nc1	ZINC000159929392	778588942	/nfs/dbraw/zinc/58/89/42/778588942.db2.gz	BKZQKDFNOYVRNM-UHFFFAOYSA-N	-1	0	278.352	2.757	20	30		CFEDRM
Cc1nc(C#N)c(C#N)nc1-c1cc([O-])cc(Cl)c1	ZINC001235898743	778598619	/nfs/dbraw/zinc/59/86/19/778598619.db2.gz	CEBFEDRWIHJTNP-UHFFFAOYSA-N	-1	0	270.679	2.554	20	30		CFEDRM
C=CCOc1ccc(-c2ccc(C(=O)[O-])cc2)nc1C#N	ZINC001236056060	778670959	/nfs/dbraw/zinc/67/09/59/778670959.db2.gz	AKVRZECGUQPSSS-UHFFFAOYSA-N	-1	0	280.283	2.883	20	30		CFEDRM
COC(=O)c1cc(-c2ccc(C(=O)[O-])cc2)ccc1C#N	ZINC001236064106	778676828	/nfs/dbraw/zinc/67/68/28/778676828.db2.gz	LCTRKHOXCAALLM-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
N#CCc1cnc(F)c(-c2ccc(C(=O)[O-])cc2)c1	ZINC001236064735	778677807	/nfs/dbraw/zinc/67/78/07/778677807.db2.gz	UWBJZMOATMMKQU-UHFFFAOYSA-N	-1	0	256.236	2.652	20	30		CFEDRM
COc1cc(C#N)cnc1-c1c(F)ccc(C)c1[O-]	ZINC001236390862	778799045	/nfs/dbraw/zinc/79/90/45/778799045.db2.gz	GPLZPPAIYNRUJF-UHFFFAOYSA-N	-1	0	258.252	2.782	20	30		CFEDRM
C[C@@]1(CF)CC(F)(F)CN1Cc1cc(C#N)ccc1[O-]	ZINC001232674352	778961497	/nfs/dbraw/zinc/96/14/97/778961497.db2.gz	XTJURGYWRQSSFK-ZDUSSCGKSA-N	-1	0	284.281	2.833	20	30		CFEDRM
CCCCCCCC(=O)N[C@H](CC(=O)[O-])C(F)(F)F	ZINC000698712522	779022610	/nfs/dbraw/zinc/02/26/10/779022610.db2.gz	HPGINVAPCXMZAW-SECBINFHSA-N	-1	0	283.290	2.869	20	30		CFEDRM
C[C@]1(C#N)CCN(Cc2cc(Cl)nc(Cl)c2[O-])C1	ZINC001237521708	779126022	/nfs/dbraw/zinc/12/60/22/779126022.db2.gz	COFIOWQCCVJDRP-GFCCVEGCSA-N	-1	0	286.162	2.830	20	30		CFEDRM
CC(C)NC(=O)C(C#N)=C([O-])c1cc2ccccc2s1	ZINC000130699292	779515799	/nfs/dbraw/zinc/51/57/99/779515799.db2.gz	FHMSLGXPJHIPIG-LLVKDONJSA-N	-1	0	286.356	2.748	20	30		CFEDRM
Cc1ccnc(C#N)c1-c1cc(F)c(C(=O)[O-])c(F)c1	ZINC001239365035	779539205	/nfs/dbraw/zinc/53/92/05/779539205.db2.gz	CVNHZZJDNKNXJC-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
COc1ncc(-c2cc(/C=N/[O-])ccc2F)cc1F	ZINC001239519405	779603119	/nfs/dbraw/zinc/60/31/19/779603119.db2.gz	ZWGLMZCVLCKZGD-UBKPWBPPSA-N	-1	0	264.231	2.844	20	30		CFEDRM
CO[C@@H]1CC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC001116749204	780227919	/nfs/dbraw/zinc/22/79/19/780227919.db2.gz	CRQMFFMECCUYGV-RQFZQORDSA-N	-1	0	298.726	2.940	20	30		CFEDRM
COc1cc(C(=O)[O-])ccc1-c1ccnc(C)c1C#N	ZINC001240738328	780405360	/nfs/dbraw/zinc/40/53/60/780405360.db2.gz	DIQZBRFOIVOJDP-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
COc1cc(-c2cncc(CC#N)c2)ccc1C(=O)[O-]	ZINC001240742777	780408973	/nfs/dbraw/zinc/40/89/73/780408973.db2.gz	BCTXMOGGJDULSO-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1cc(-c2cccc(/C=N/O)c2)ccc1C(=O)[O-]	ZINC001240744788	780409899	/nfs/dbraw/zinc/40/98/99/780409899.db2.gz	NUMPXYFJBHNXIJ-CXUHLZMHSA-N	-1	0	271.272	2.869	20	30		CFEDRM
N#Cc1ccc(-c2ccc(C3=S=C(C(=O)[O-])C=C3)cc2)o1	ZINC001240847007	780473193	/nfs/dbraw/zinc/47/31/93/780473193.db2.gz	IIRWLBQZQKXHKC-UHFFFAOYSA-N	-1	0	295.319	2.899	20	30		CFEDRM
Cc1ccc(CC#N)c(-c2ccc(CC(=O)[O-])cc2)n1	ZINC001240974465	780563762	/nfs/dbraw/zinc/56/37/62/780563762.db2.gz	QIAJVNMQLNQHCK-UHFFFAOYSA-N	-1	0	266.300	2.750	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1cc2nc[nH]c2c(C#N)n1	ZINC001240999311	780582523	/nfs/dbraw/zinc/58/25/23/780582523.db2.gz	KWUYCZJMGAZFDD-UHFFFAOYSA-N	-1	0	278.271	2.503	20	30		CFEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2C)nc1CC#N	ZINC001241000623	780584663	/nfs/dbraw/zinc/58/46/63/780584663.db2.gz	GPALVLANPVBCTN-UHFFFAOYSA-N	-1	0	282.299	2.830	20	30		CFEDRM
Cc1ccc(C(=O)[O-])cc1-c1ccnc(C)c1C#N	ZINC001241005398	780588101	/nfs/dbraw/zinc/58/81/01/780588101.db2.gz	MURBBEIYLXMCHM-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#Cc1ncccc1Nc1ccc(C(=O)[O-])c(F)c1F	ZINC001212511007	780600426	/nfs/dbraw/zinc/60/04/26/780600426.db2.gz	NPLVOHOWLGHENT-UHFFFAOYSA-N	-1	0	275.214	2.673	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1ccc(C(=O)[O-])c(F)c1	ZINC001241184662	780688746	/nfs/dbraw/zinc/68/87/46/780688746.db2.gz	FPWJCURRLRQQDX-UHFFFAOYSA-N	-1	0	299.257	2.849	20	30		CFEDRM
N#Cc1c[nH]c2nc(-c3ccc(C(=O)[O-])c(F)c3)ccc12	ZINC001241184055	780688781	/nfs/dbraw/zinc/68/87/81/780688781.db2.gz	OOXFSNFRILQOOS-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])c(F)c2)n1	ZINC001241183816	780688970	/nfs/dbraw/zinc/68/89/70/780688970.db2.gz	YGIVMDLUYYLQOF-UHFFFAOYSA-N	-1	0	288.278	2.854	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(F)c2)cc1C#N	ZINC001241185430	780689950	/nfs/dbraw/zinc/68/99/50/780689950.db2.gz	OUWGBDXVWFSPEQ-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#Cc1cnc2cc[nH]c(-c3ccc(F)c(C(=O)[O-])c3)c1-2	ZINC001241244552	780728708	/nfs/dbraw/zinc/72/87/08/780728708.db2.gz	PDGVJGCLDGYOTK-UHFFFAOYSA-N	-1	0	281.246	2.939	20	30		CFEDRM
O=C([O-])c1cc(-c2ccccc2C=NO)ccc1F	ZINC001241247243	780732349	/nfs/dbraw/zinc/73/23/49/780732349.db2.gz	PLHNCLPYIFGFJR-UHFFFAOYSA-N	-1	0	259.236	2.999	20	30		CFEDRM
COC(=O)c1cc(C#N)cc(-c2c(F)ccc([O-])c2F)c1	ZINC001241292508	780762593	/nfs/dbraw/zinc/76/25/93/780762593.db2.gz	CUHNMOGGTXRJJK-UHFFFAOYSA-N	-1	0	289.237	2.996	20	30		CFEDRM
Cc1cc(C#N)nc(-c2ccc(C(=O)[O-])c(Cl)c2)n1	ZINC001241345893	780799537	/nfs/dbraw/zinc/79/95/37/780799537.db2.gz	TYZZSYBGPFUPHD-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
COc1nc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1C#N	ZINC001241346650	780800290	/nfs/dbraw/zinc/80/02/90/780800290.db2.gz	HFLGWGDNAOQRGB-UHFFFAOYSA-N	-1	0	288.690	2.980	20	30		CFEDRM
Cc1cnc(-c2ccc(C(=O)[O-])c(Cl)c2)c(C#N)n1	ZINC001241347251	780801256	/nfs/dbraw/zinc/80/12/56/780801256.db2.gz	VOXSVSJOTRTCGB-UHFFFAOYSA-N	-1	0	273.679	2.675	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3cccc(C(=O)[O-])c3)c2c1	ZINC001241356772	780806474	/nfs/dbraw/zinc/80/64/74/780806474.db2.gz	FQMPEYWLMBHINP-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
C=CC[C@@H]1CCCN(c2ccc(C(=O)[O-])c(C)n2)C1	ZINC000703637280	781042923	/nfs/dbraw/zinc/04/29/23/781042923.db2.gz	BIKLCPGNZTYNEH-GFCCVEGCSA-N	-1	0	260.337	2.881	20	30		CFEDRM
N#Cc1ccc2ccnc(-c3cncc(C(=O)[O-])c3)c2c1	ZINC001241800474	781131416	/nfs/dbraw/zinc/13/14/16/781131416.db2.gz	WWUMKIGGVYIUPJ-UHFFFAOYSA-N	-1	0	275.267	2.867	20	30		CFEDRM
Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)nc1C#N	ZINC001241816061	781140764	/nfs/dbraw/zinc/14/07/64/781140764.db2.gz	AELGOFWWZXXXME-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
N#CCc1cnc(F)c(-c2cc(F)cc(C(=O)[O-])c2)c1	ZINC001241835824	781150190	/nfs/dbraw/zinc/15/01/90/781150190.db2.gz	WMSQGGQBEHRYGX-UHFFFAOYSA-N	-1	0	274.226	2.791	20	30		CFEDRM
COc1ccc(-c2ncc3c(c2C#N)CCC3)cc1C(=O)[O-]	ZINC001241865866	781158352	/nfs/dbraw/zinc/15/83/52/781158352.db2.gz	VAFVUULCZQDYJH-UHFFFAOYSA-N	-1	0	294.310	2.816	20	30		CFEDRM
COc1ccc(-c2ccnc(CC#N)c2)cc1C(=O)[O-]	ZINC001241880569	781162652	/nfs/dbraw/zinc/16/26/52/781162652.db2.gz	QDPGNQCGTAHERM-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
C#Cc1cccc(-c2ccc(S(=O)(=O)[O-])cc2)c1	ZINC001241919745	781182734	/nfs/dbraw/zinc/18/27/34/781182734.db2.gz	MKWJHKGXONKOCN-UHFFFAOYSA-N	-1	0	258.298	2.582	20	30		CFEDRM
N#Cc1nccnc1-c1cc(C(F)(F)F)ccc1[O-]	ZINC001242126174	781293528	/nfs/dbraw/zinc/29/35/28/781293528.db2.gz	IMDJZUGKIURNJI-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
N#Cc1cncnc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242151919	781304471	/nfs/dbraw/zinc/30/44/71/781304471.db2.gz	ZGBWYAOENPQOSE-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
N#Cc1ncncc1-c1ccc([O-])c(C(F)(F)F)c1	ZINC001242158092	781307663	/nfs/dbraw/zinc/30/76/63/781307663.db2.gz	QKGNTRREXFQJOL-UHFFFAOYSA-N	-1	0	265.194	2.740	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1cnc(C#N)c(F)c1	ZINC001242208727	781327444	/nfs/dbraw/zinc/32/74/44/781327444.db2.gz	GCERXQIZBWWOSL-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1c(F)cc(C(=O)[O-])cc1-c1ccc(C#N)c(F)n1	ZINC001242208487	781327586	/nfs/dbraw/zinc/32/75/86/781327586.db2.gz	NIGCIYOJHWXBQF-UHFFFAOYSA-N	-1	0	274.226	2.905	20	30		CFEDRM
Cc1ccnc(-c2cccc(CC(=O)[O-])c2)c1C#N	ZINC001242259948	781346631	/nfs/dbraw/zinc/34/66/31/781346631.db2.gz	JTBXYHRZVKWAIZ-UHFFFAOYSA-N	-1	0	252.273	2.556	20	30		CFEDRM
N#Cc1ccc2ncnc(-c3cccc(CC(=O)[O-])c3)c2c1	ZINC001242259929	781346661	/nfs/dbraw/zinc/34/66/61/781346661.db2.gz	IULRDPAWAKQQGM-UHFFFAOYSA-N	-1	0	289.294	2.796	20	30		CFEDRM
N#Cc1c[nH]c2ncc(-c3cccc(CC(=O)[O-])c3)cc12	ZINC001242264178	781348679	/nfs/dbraw/zinc/34/86/79/781348679.db2.gz	FZHXQNJUIVEVPK-UHFFFAOYSA-N	-1	0	277.283	2.729	20	30		CFEDRM
N#Cc1ncccc1-c1ccccc1/C=C/C(=O)[O-]	ZINC001242310296	781387187	/nfs/dbraw/zinc/38/71/87/781387187.db2.gz	DKOHKXTXKXIDNE-BQYQJAHWSA-N	-1	0	250.257	2.718	20	30		CFEDRM
N#CC1(c2ccc(-c3ccc(C(=O)[O-])nc3)nc2)CCC1	ZINC001242332856	781403996	/nfs/dbraw/zinc/40/39/96/781403996.db2.gz	AVWODKTYGJGAKL-UHFFFAOYSA-N	-1	0	279.299	2.787	20	30		CFEDRM
Cc1cccc(-c2ncc3c(C#N)c[nH]c3n2)c1[O-]	ZINC001242344311	781416195	/nfs/dbraw/zinc/41/61/95/781416195.db2.gz	IMHVVLMIXHURKZ-UHFFFAOYSA-N	-1	0	250.261	2.511	20	30		CFEDRM
COC(=O)c1cc(C#N)ccc1-c1cccc(F)c1[O-]	ZINC001242351024	781422504	/nfs/dbraw/zinc/42/25/04/781422504.db2.gz	NHRPPRLKYMTPEX-UHFFFAOYSA-N	-1	0	271.247	2.857	20	30		CFEDRM
Cc1nnc(-c2cccc(Cl)c2[O-])c(C#N)c1C	ZINC001242363176	781436177	/nfs/dbraw/zinc/43/61/77/781436177.db2.gz	WDSSBXHMWNNJAI-UHFFFAOYSA-N	-1	0	259.696	2.991	20	30		CFEDRM
CSc1ncc(C#N)c(-c2cccc(C(=O)[O-])c2F)n1	ZINC001242378370	781446833	/nfs/dbraw/zinc/44/68/33/781446833.db2.gz	WSLNCKZGXQVZQW-UHFFFAOYSA-N	-1	0	289.291	2.574	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc(CC#N)cn1	ZINC001242387396	781456179	/nfs/dbraw/zinc/45/61/79/781456179.db2.gz	LFCXNJURVFFYRM-UHFFFAOYSA-N	-1	0	268.272	2.521	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1nc(C)cc(C)c1C#N	ZINC001242386887	781456415	/nfs/dbraw/zinc/45/64/15/781456415.db2.gz	ANXHVBQKOUJGDM-UHFFFAOYSA-N	-1	0	282.299	2.944	20	30		CFEDRM
COc1ccc(C(=O)[O-])cc1-c1ccc2c(C#N)c[nH]c2n1	ZINC001242389472	781457561	/nfs/dbraw/zinc/45/75/61/781457561.db2.gz	XFWDRONDVALGCN-UHFFFAOYSA-N	-1	0	293.282	2.808	20	30		CFEDRM
COc1ccc(-c2cc(C(=O)[O-])ccc2OC)nc1CC#N	ZINC001242390189	781459413	/nfs/dbraw/zinc/45/94/13/781459413.db2.gz	YHTBVKNFQDRQMO-UHFFFAOYSA-N	-1	0	298.298	2.530	20	30		CFEDRM
N#Cc1cc(-c2ncc3c(c2C#N)CCC3)ccc1[O-]	ZINC001242562970	781601090	/nfs/dbraw/zinc/60/10/90/781601090.db2.gz	LXFRCWQNTXRYFZ-UHFFFAOYSA-N	-1	0	261.284	2.686	20	30		CFEDRM
COc1c(C(=O)[O-])cccc1-c1nc(C#N)ccc1C	ZINC001242919992	781842134	/nfs/dbraw/zinc/84/21/34/781842134.db2.gz	CYGYUNWYTNAQOX-UHFFFAOYSA-N	-1	0	268.272	2.636	20	30		CFEDRM
C=C[C@@H](CCC(=O)[O-])NCc1csc(C(F)(F)F)n1	ZINC001120001361	781889526	/nfs/dbraw/zinc/88/95/26/781889526.db2.gz	KHOOKNSOJGDUSI-ZETCQYMHSA-N	-1	0	294.298	2.671	20	30		CFEDRM
C[C@@H](Nc1cccc(C#N)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594540968	349444256	/nfs/dbraw/zinc/44/42/56/349444256.db2.gz	NTGJJEJBHZREIU-ADEWGFFLSA-N	-1	0	273.336	2.501	20	30		CFEDRM
Cc1c(C#N)c(NC[C@@H](C(=O)[O-])C(C)C)nc2ccccc12	ZINC000594540919	349444327	/nfs/dbraw/zinc/44/43/27/349444327.db2.gz	LTSXZMYJNOZOIH-CQSZACIVSA-N	-1	0	297.358	2.606	20	30		CFEDRM
C=CCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000594736288	349484731	/nfs/dbraw/zinc/48/47/31/349484731.db2.gz	OPFFXWRJRXQZQU-UHFFFAOYSA-N	-1	0	250.254	2.589	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(F)c1SC	ZINC000594697885	349475513	/nfs/dbraw/zinc/47/55/13/349475513.db2.gz	RUSFJHIYODVOOV-QMMMGPOBSA-N	-1	0	288.369	2.591	20	30		CFEDRM
N#Cc1ccc(Cl)cc1NCCCCC(=O)[O-]	ZINC000070200356	346908029	/nfs/dbraw/zinc/90/80/29/346908029.db2.gz	DIHBSPHNGORJKT-UHFFFAOYSA-N	-1	0	252.701	2.878	20	30		CFEDRM
C[C@H]1CCN(c2cccc(Cl)c2C#N)C[C@H]1C(=O)[O-]	ZINC000595969995	349772924	/nfs/dbraw/zinc/77/29/24/349772924.db2.gz	SZSSNAAJCJUWMX-GXSJLCMTSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1nc(N2CCC(CCC(=O)[O-])CC2)sc1Cl	ZINC000595967480	349773171	/nfs/dbraw/zinc/77/31/71/349773171.db2.gz	HXEKQOBMNWJKDP-UHFFFAOYSA-N	-1	0	299.783	2.749	20	30		CFEDRM
C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc2cc(C#N)ccc2n1	ZINC000595973274	349773700	/nfs/dbraw/zinc/77/37/00/349773700.db2.gz	KCDQDVIXJCNEFT-FZMZJTMJSA-N	-1	0	295.342	2.796	20	30		CFEDRM
Cc1c(Cl)cnc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1C#N	ZINC000595972343	349773899	/nfs/dbraw/zinc/77/38/99/349773899.db2.gz	ASYBPMGPEIKJKI-SCZZXKLOSA-N	-1	0	293.754	2.605	20	30		CFEDRM
CO[C@H](CN=c1[n-]c(C#N)c(Cl)s1)CC(C)C	ZINC000596271749	349849195	/nfs/dbraw/zinc/84/91/95/349849195.db2.gz	HGYGESIDSOPFQJ-QMMMGPOBSA-N	-1	0	273.789	2.563	20	30		CFEDRM
CCO[C@@H]1CCCC[C@H]1N=c1[n-]c(C#N)c(Cl)s1	ZINC000596259990	349844771	/nfs/dbraw/zinc/84/47/71/349844771.db2.gz	FDOUGSRHYILPBE-PSASIEDQSA-N	-1	0	285.800	2.850	20	30		CFEDRM
C=CCCSCCN=c1[n-]nc(-c2ccccn2)s1	ZINC000596413730	349895297	/nfs/dbraw/zinc/89/52/97/349895297.db2.gz	ULPONDSCBWRHKM-UHFFFAOYSA-N	-1	0	292.433	2.743	20	30		CFEDRM
N#CC1(CN=c2[n-]nc(C(F)F)s2)CCCCC1	ZINC000596498607	349921150	/nfs/dbraw/zinc/92/11/50/349921150.db2.gz	APACEKMZHLBCQL-UHFFFAOYSA-N	-1	0	272.324	2.784	20	30		CFEDRM
C=CCCCN(C)C(=O)c1c([O-])cc(F)cc1F	ZINC000077108202	347168012	/nfs/dbraw/zinc/16/80/12/347168012.db2.gz	MOYCJUHCBHVMEL-UHFFFAOYSA-N	-1	0	255.264	2.709	20	30		CFEDRM
CC(C)[C@H](CNc1c(C#N)cnc2ccccc21)C(=O)[O-]	ZINC000087507895	347496301	/nfs/dbraw/zinc/49/63/01/347496301.db2.gz	OSFFKBAJDLSZCI-ZDUSSCGKSA-N	-1	0	283.331	2.875	20	30		CFEDRM
Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c(C#N)c1C	ZINC000085407857	347479765	/nfs/dbraw/zinc/47/97/65/347479765.db2.gz	BSXTWZMAYIXGBT-UWVGGRQHSA-N	-1	0	292.360	2.532	20	30		CFEDRM
CC(C)C[C@H](CNc1cnccc1C#N)CC(=O)[O-]	ZINC000135582816	347907256	/nfs/dbraw/zinc/90/72/56/347907256.db2.gz	YALXVPYQDUDHEI-NSHDSACASA-N	-1	0	261.325	2.502	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1[O-]	ZINC000188395088	348132175	/nfs/dbraw/zinc/13/21/75/348132175.db2.gz	LNBLTISAZSVGNT-UHFFFAOYSA-N	-1	0	282.274	2.606	20	30		CFEDRM
C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)C(=O)[O-]	ZINC000229335307	348200787	/nfs/dbraw/zinc/20/07/87/348200787.db2.gz	TZRZTWGSGUGBPX-MRVPVSSYSA-N	-1	0	287.768	2.637	20	30		CFEDRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(O)cc2)c1	ZINC000254286993	348301988	/nfs/dbraw/zinc/30/19/88/348301988.db2.gz	DFRWJLZTGVUBMS-UHFFFAOYSA-N	-1	0	258.233	2.757	20	30		CFEDRM
N#CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000397873301	348565998	/nfs/dbraw/zinc/56/59/98/348565998.db2.gz	XYUYAFDEYIOSFI-JTQLQIEISA-N	-1	0	278.739	2.811	20	30		CFEDRM
CC(C)=C[C@H]1[C@@H](C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)C1(C)C	ZINC000588766753	348795478	/nfs/dbraw/zinc/79/54/78/348795478.db2.gz	LNQLQKVGIMPFHW-STQMWFEESA-N	-1	0	298.390	2.758	20	30		CFEDRM
CC(C)(CCC#N)CN=c1[n-]c(-c2ccccc2)no1	ZINC000588844946	348798018	/nfs/dbraw/zinc/79/80/18/348798018.db2.gz	QNFKVHKFYDZRBB-UHFFFAOYSA-N	-1	0	270.336	2.900	20	30		CFEDRM
N#Cc1cc(O)cc(C(=O)NC[C@H]2CCCCC2(F)F)c1	ZINC000590767431	348945658	/nfs/dbraw/zinc/94/56/58/348945658.db2.gz	KCGQUEBSOXSCHA-GFCCVEGCSA-N	-1	0	294.301	2.819	20	30		CFEDRM
N#C[C@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1	ZINC000591269696	349004989	/nfs/dbraw/zinc/00/49/89/349004989.db2.gz	QHNPCKCVHIXZRE-JSGCOSHPSA-N	-1	0	258.321	2.808	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2n1	ZINC000591326796	349009829	/nfs/dbraw/zinc/00/98/29/349009829.db2.gz	LEGJORQLIREPJZ-LBPRGKRZSA-N	-1	0	295.342	2.798	20	30		CFEDRM
Cc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCC1	ZINC000591530938	349028939	/nfs/dbraw/zinc/02/89/39/349028939.db2.gz	IAWWMQTVBORYKG-UHFFFAOYSA-N	-1	0	286.331	2.840	20	30		CFEDRM
N#CCc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1	ZINC000591530846	349029230	/nfs/dbraw/zinc/02/92/30/349029230.db2.gz	CRXZXVMYJXSTPN-UHFFFAOYSA-N	-1	0	286.331	2.726	20	30		CFEDRM
N#CCCCN=c1nc(-c2cc(F)cc(F)c2)[n-]s1	ZINC000591931028	349062394	/nfs/dbraw/zinc/06/23/94/349062394.db2.gz	SWEMKFZEPVFEGK-UHFFFAOYSA-N	-1	0	280.303	2.621	20	30		CFEDRM
C[C@H]1CCN(c2cc(C#N)nc3ccccc32)C[C@H]1C(=O)[O-]	ZINC000592420603	349118003	/nfs/dbraw/zinc/11/80/03/349118003.db2.gz	FUORWYHHFGEOGH-SMDDNHRTSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C[C@H](NCc1cc(C#N)cs1)c1nc(C(=O)[O-])cs1	ZINC000593948517	349338785	/nfs/dbraw/zinc/33/87/85/349338785.db2.gz	LOUIZHAEPQJICD-ZETCQYMHSA-N	-1	0	293.373	2.625	20	30		CFEDRM
C=CCSCCN=c1nc(Cc2ccc(F)cc2)o[n-]1	ZINC000598591875	350288422	/nfs/dbraw/zinc/28/84/22/350288422.db2.gz	DLSBLCHMQYUGDU-UHFFFAOYSA-N	-1	0	293.367	2.553	20	30		CFEDRM
CC(C)[C@@]1(C(=O)[O-])CCN(c2ncc(C#N)cc2Cl)C1	ZINC000600674725	350594875	/nfs/dbraw/zinc/59/48/75/350594875.db2.gz	GTHBNSVODWTACD-CQSZACIVSA-N	-1	0	293.754	2.544	20	30		CFEDRM
Cc1ccc(C[S@@](=O)[C@@H](CC(C)C)C(=O)[O-])cc1C#N	ZINC000600881567	350623000	/nfs/dbraw/zinc/62/30/00/350623000.db2.gz	WXBXIFONCHSISK-VBKZILBWSA-N	-1	0	293.388	2.615	20	30		CFEDRM
CC(C)[C@@H](CCc1ccccc1)C(=O)N=c1[nH][n-]cc1C#N	ZINC000601637280	350751536	/nfs/dbraw/zinc/75/15/36/350751536.db2.gz	STLIWNJEBAYBRG-OAHLLOKOSA-N	-1	0	296.374	2.547	20	30		CFEDRM
C[C@@H]1CCc2c1[n-]n(-c1ccc(C#N)c(Cl)c1)c2=O	ZINC000601950492	350816774	/nfs/dbraw/zinc/81/67/74/350816774.db2.gz	UWACFTDMKQCMHT-LDYMZIIASA-N	-1	0	273.723	2.960	20	30		CFEDRM
CCc1ccc(F)cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N	ZINC000601735433	350770086	/nfs/dbraw/zinc/77/00/86/350770086.db2.gz	DKAZRSJMYFODMY-UHFFFAOYSA-N	-1	0	298.321	2.534	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(C#N)c(F)c1	ZINC000601985542	350823282	/nfs/dbraw/zinc/82/32/82/350823282.db2.gz	ZWGRKABITQAGLL-AWEZNQCLSA-N	-1	0	278.283	2.527	20	30		CFEDRM
Cc1[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c(=O)c1C	ZINC000601938702	350810118	/nfs/dbraw/zinc/81/01/18/350810118.db2.gz	IMXOMBOJVMJSGP-ZETCQYMHSA-N	-1	0	281.237	2.936	20	30		CFEDRM
Cc1[n-]n(Cc2cc(F)ccc2F)c(=O)c1CCC#N	ZINC000601939343	350810134	/nfs/dbraw/zinc/81/01/34/350810134.db2.gz	NSDFUTGFJGEDTH-GFCCVEGCSA-N	-1	0	277.274	2.603	20	30		CFEDRM
Cc1[n-]n(-c2ccc(OC(F)F)cc2)c(=O)c1CCC#N	ZINC000601939573	350810181	/nfs/dbraw/zinc/81/01/81/350810181.db2.gz	MPHBBRAVRRRACB-LBPRGKRZSA-N	-1	0	293.273	2.930	20	30		CFEDRM
CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C#N)c1	ZINC000601994680	350825052	/nfs/dbraw/zinc/82/50/52/350825052.db2.gz	ZBLHPSWVZIVKMN-BZNIZROVSA-N	-1	0	288.347	2.626	20	30		CFEDRM
CCCn1c(S[C@H](C#N)Cc2ccccc2)n[nH]c1=O	ZINC000604021969	351196515	/nfs/dbraw/zinc/19/65/15/351196515.db2.gz	ZDAUWCSXZHNOEI-LBPRGKRZSA-N	-1	0	288.376	2.621	20	30		CFEDRM
C=CCCCS(=O)(=O)[N-]c1nnc(C2CCCCC2)o1	ZINC000291929286	198108167	/nfs/dbraw/zinc/10/81/67/198108167.db2.gz	WHHDUUXHMWGGLE-UHFFFAOYSA-N	-1	0	299.396	2.825	20	30		CFEDRM
CC[C@@H](C)CSCc1cc(=O)n2[n-]cc(C#N)c2n1	ZINC000124094435	187122041	/nfs/dbraw/zinc/12/20/41/187122041.db2.gz	UDGSNNTYOROZEB-SECBINFHSA-N	-1	0	276.365	2.586	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(F)cc1[O-]	ZINC000123371216	187087818	/nfs/dbraw/zinc/08/78/18/187087818.db2.gz	QKWJMDDCBIYUOO-UHFFFAOYSA-N	-1	0	284.290	2.675	20	30		CFEDRM
CCC(CC)(CC)NC(=O)c1cc(O)cc(C#N)c1	ZINC000614370174	352086094	/nfs/dbraw/zinc/08/60/94/352086094.db2.gz	ZKUODGMWZWPSDF-UHFFFAOYSA-N	-1	0	260.337	2.962	20	30		CFEDRM
CC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1nccs1	ZINC000614369608	352086321	/nfs/dbraw/zinc/08/63/21/352086321.db2.gz	AFCVPSGPCDPUFP-GFCCVEGCSA-N	-1	0	287.344	2.601	20	30		CFEDRM
N#Cc1ccc(C(=O)Nc2ncc(Cl)s2)cc1[O-]	ZINC000615429130	352192177	/nfs/dbraw/zinc/19/21/77/352192177.db2.gz	PIBOYXVMFDTCBP-UHFFFAOYSA-N	-1	0	279.708	2.626	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(C3CC3)o2)cc1Cl	ZINC000619747232	353062661	/nfs/dbraw/zinc/06/26/61/353062661.db2.gz	NFYKNYGNFNUBND-UHFFFAOYSA-N	-1	0	274.711	2.506	20	30		CFEDRM
C=CCC(CC=C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1	ZINC000621615117	353384887	/nfs/dbraw/zinc/38/48/87/353384887.db2.gz	AZACBRRWCLPNCR-RHSMWYFYSA-N	-1	0	291.391	2.858	20	30		CFEDRM
C=C[C@@](C)(CC)C(=O)N=c1nc(CC(C)C)[n-]s1	ZINC000622163120	353488312	/nfs/dbraw/zinc/48/83/12/353488312.db2.gz	JCLRNLBZJNNRRX-ZDUSSCGKSA-N	-1	0	267.398	2.699	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)NC[C@@H](CC(C)C)C(=O)[O-]	ZINC000626769711	354321024	/nfs/dbraw/zinc/32/10/24/354321024.db2.gz	POVNXDWVQCVPFC-GFCCVEGCSA-N	-1	0	284.400	2.635	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCc1ccc(CC(=O)[O-])cc1	ZINC000630232314	355031071	/nfs/dbraw/zinc/03/10/71/355031071.db2.gz	JMXOABSGFYHPMT-GFCCVEGCSA-N	-1	0	275.348	2.532	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)CCc1ccccc1C(=O)[O-]	ZINC000630289064	355038809	/nfs/dbraw/zinc/03/88/09/355038809.db2.gz	MYIGBDJHIFHJFA-ZDUSSCGKSA-N	-1	0	275.348	2.788	20	30		CFEDRM
C=CCC1(CNC(=O)CCCCC(=O)[O-])CCCC1	ZINC000630291610	355040228	/nfs/dbraw/zinc/04/02/28/355040228.db2.gz	DMJBQZAJXCCPGS-UHFFFAOYSA-N	-1	0	267.369	2.884	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C1(C)CCC(F)(F)CC1)C(=O)[O-]	ZINC000630182683	355024398	/nfs/dbraw/zinc/02/43/98/355024398.db2.gz	PTBSOIABJVZMEC-SNVBAGLBSA-N	-1	0	289.322	2.738	20	30		CFEDRM
C=CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(=O)[O-]	ZINC000630181637	355024622	/nfs/dbraw/zinc/02/46/22/355024622.db2.gz	JPJMNJPMTJOXEJ-NEPJUHHUSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)C(=O)[O-]	ZINC000630320057	355049955	/nfs/dbraw/zinc/04/99/55/355049955.db2.gz	OBLANBOPRZRAND-MGPQQGTHSA-N	-1	0	281.396	2.984	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)c1cc(SC)ccc1C)C(=O)[O-]	ZINC000630319387	355049958	/nfs/dbraw/zinc/04/99/58/355049958.db2.gz	ZKKKALLSXUZBCA-ZDUSSCGKSA-N	-1	0	293.388	2.866	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C(=O)[O-]	ZINC000630319718	355049959	/nfs/dbraw/zinc/04/99/59/355049959.db2.gz	GPOZOGNFXCSJAT-NEPJUHHUSA-N	-1	0	267.369	2.738	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@H]1CCCc2sccc21)C(=O)[O-]	ZINC000630320114	355049966	/nfs/dbraw/zinc/04/99/66/355049966.db2.gz	PDNLKERTCGXHTO-RYUDHWBXSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)C(=O)[O-]	ZINC000630320703	355050760	/nfs/dbraw/zinc/05/07/60/355050760.db2.gz	AFHGBBYQFRPLGP-OLZOCXBDSA-N	-1	0	293.750	2.515	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)C(=O)[O-]	ZINC000630322392	355051615	/nfs/dbraw/zinc/05/16/15/355051615.db2.gz	RNVWYQLSYMSCEF-RRFJBIMHSA-N	-1	0	287.359	2.634	20	30		CFEDRM
C=C(C)C[C@H](NC(=O)Nc1ccc(OCC)cc1)C(=O)[O-]	ZINC000630545578	355108178	/nfs/dbraw/zinc/10/81/78/355108178.db2.gz	QTHQWZNBKMHWLN-ZDUSSCGKSA-N	-1	0	292.335	2.626	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@H](C)c1ccc(C)cc1)C(=O)[O-]	ZINC000630469182	355091539	/nfs/dbraw/zinc/09/15/39/355091539.db2.gz	KMTMVNOURNSAAC-TZMCWYRMSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)NCCC1=CCCCC1)C(=O)[O-]	ZINC000630470698	355091579	/nfs/dbraw/zinc/09/15/79/355091579.db2.gz	WCAGZRKSOSPHTR-CYBMUJFWSA-N	-1	0	280.368	2.596	20	30		CFEDRM
C=C(C)C[C@@H](NC(=O)N[C@@H](C)c1ccc(C)cc1)C(=O)[O-]	ZINC000630469179	355091598	/nfs/dbraw/zinc/09/15/98/355091598.db2.gz	KMTMVNOURNSAAC-GXTWGEPZSA-N	-1	0	290.363	2.775	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N1C2CCC1(C(=O)[O-])CC2	ZINC000630475148	355092093	/nfs/dbraw/zinc/09/20/93/355092093.db2.gz	DOMVEWORGDFZCJ-BZUNDVKYSA-N	-1	0	280.368	2.522	20	30		CFEDRM
C=CC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000630482480	355092871	/nfs/dbraw/zinc/09/28/71/355092871.db2.gz	FIGKLYZZSMDHQC-ZDUSSCGKSA-N	-1	0	290.363	2.714	20	30		CFEDRM
C=C(C)CN(CC)C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000088273820	540290672	/nfs/dbraw/zinc/29/06/72/540290672.db2.gz	AGRVLFAHIYRCFH-ZDUSSCGKSA-N	-1	0	284.400	2.731	20	30		CFEDRM
C=CCC(CC=C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1	ZINC000678976648	540524994	/nfs/dbraw/zinc/52/49/94/540524994.db2.gz	CLAPDNABJYBKCX-QGZVFWFLSA-N	-1	0	287.359	2.871	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000685020037	540897703	/nfs/dbraw/zinc/89/77/03/540897703.db2.gz	LYTJJKRBDVAIPM-MFKMUULPSA-N	-1	0	279.311	2.670	20	30		CFEDRM
N#Cc1ccc(CN=c2[n-]nc(-c3ccccn3)s2)s1	ZINC000432752203	240037081	/nfs/dbraw/zinc/03/70/81/240037081.db2.gz	JMONFKFJSJHUNN-UHFFFAOYSA-N	-1	0	299.384	2.567	20	30		CFEDRM
CC(=O)c1ccc([O-])c(NC(=O)c2cc(C#N)oc2C)c1	ZINC000436995986	240532195	/nfs/dbraw/zinc/53/21/95/240532195.db2.gz	AOENVOMKOHQRHH-UHFFFAOYSA-N	-1	0	284.271	2.620	20	30		CFEDRM
CCSc1n[n-]c(=NCc2ccc(C#N)c(C)c2)s1	ZINC000447959334	241437111	/nfs/dbraw/zinc/43/71/11/241437111.db2.gz	OHLPZMXSBYUSKS-UHFFFAOYSA-N	-1	0	290.417	2.864	20	30		CFEDRM
C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000676001515	541715963	/nfs/dbraw/zinc/71/59/63/541715963.db2.gz	LVQPGPGOXCKWSS-VIFPVBQESA-N	-1	0	297.738	2.958	20	30		CFEDRM
CC(C)CON=c1[n-]c(C(F)(F)F)ccc1C#N	ZINC000276250554	193256558	/nfs/dbraw/zinc/25/65/58/193256558.db2.gz	QVJCPIQRNACPNI-UHFFFAOYSA-N	-1	0	259.231	2.972	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1NCCCC(=O)[O-]	ZINC000036926875	372612039	/nfs/dbraw/zinc/61/20/39/372612039.db2.gz	IYJMFEVYCLZSBM-UHFFFAOYSA-N	-1	0	272.226	2.854	20	30		CFEDRM
C=CCC1(C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)CCCC1	ZINC000451710191	383687804	/nfs/dbraw/zinc/68/78/04/383687804.db2.gz	CMGJLYBCQHYNTR-UHFFFAOYSA-N	-1	0	284.363	2.656	20	30		CFEDRM
CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n[nH]1	ZINC000048813218	373225105	/nfs/dbraw/zinc/22/51/05/373225105.db2.gz	ZQRIYUPAERBHPN-SNVBAGLBSA-N	-1	0	293.330	2.899	20	30		CFEDRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCC1	ZINC000049135698	373273532	/nfs/dbraw/zinc/27/35/32/373273532.db2.gz	ALZCHZWVWWAYNJ-UHFFFAOYSA-N	-1	0	291.731	2.924	20	30		CFEDRM
O=C([N-]S(=O)(=O)CC1CCCCC1)C1CCC1	ZINC000049514150	373306481	/nfs/dbraw/zinc/30/64/81/373306481.db2.gz	DWURMNZNQQORFF-UHFFFAOYSA-N	-1	0	259.371	2.653	20	30		CFEDRM
N#Cc1c(Cl)cccc1N1CCC[C@H](CC(=O)[O-])C1	ZINC000054297479	373510986	/nfs/dbraw/zinc/51/09/86/373510986.db2.gz	PBNYJFOXMFMYLE-SNVBAGLBSA-N	-1	0	278.739	2.903	20	30		CFEDRM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2CC2)c1C	ZINC000069603689	374078142	/nfs/dbraw/zinc/07/81/42/374078142.db2.gz	IOUHPRXBDDKNPL-UHFFFAOYSA-N	-1	0	281.377	2.975	20	30		CFEDRM
C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[n-]1)C1CCCCC1	ZINC000101638797	375649087	/nfs/dbraw/zinc/64/90/87/375649087.db2.gz	XVOIHRWDWNWOTI-SNVBAGLBSA-N	-1	0	285.351	2.698	20	30		CFEDRM
Cc1[n-][nH]c(=NC(=O)[C@H](CC2CCCC2)C(C)C)c1C#N	ZINC000508739129	247181947	/nfs/dbraw/zinc/18/19/47/247181947.db2.gz	SIZPGJQJLAHOJP-CYBMUJFWSA-N	-1	0	288.395	2.803	20	30		CFEDRM
CC(C)(CC(N)=O)NC(=O)c1s[n-]c(=O)c1Cl	ZINC000330463911	378561975	/nfs/dbraw/zinc/56/19/75/378561975.db2.gz	UZLXQGPLFUHCSW-UHFFFAOYSA-N	-1	0	277.733	2.511	20	30		CFEDRM
CCc1ncsc1C([O-])=C(C#N)c1nc(C)cs1	ZINC000160046630	378744968	/nfs/dbraw/zinc/74/49/68/378744968.db2.gz	UOBIUVQDPFHVHY-MRVPVSSYSA-N	-1	0	277.374	2.961	20	30		CFEDRM
N#CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCCC1	ZINC000335077048	379967889	/nfs/dbraw/zinc/96/78/89/379967889.db2.gz	UEGPJOWRQFQWOJ-UHFFFAOYSA-N	-1	0	266.247	2.693	20	30		CFEDRM
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1	ZINC000335988531	380202304	/nfs/dbraw/zinc/20/23/04/380202304.db2.gz	BZVXRKLAILPCND-UHFFFAOYSA-N	-1	0	276.317	2.569	20	30		CFEDRM
Cc1ccc(-c2nc(NC(=O)c3cc(C#N)cs3)n[nH]2)o1	ZINC000177823468	380383001	/nfs/dbraw/zinc/38/30/01/380383001.db2.gz	BFWKRGMUUUJBSD-UHFFFAOYSA-N	-1	0	299.315	2.559	20	30		CFEDRM
C=CCCCCN=c1[n-]c(C(F)(F)F)ns1	ZINC000336645868	380582548	/nfs/dbraw/zinc/58/25/48/380582548.db2.gz	DGXCYKGJMLBBTH-UHFFFAOYSA-N	-1	0	251.277	2.747	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)o1	ZINC000336630582	380575655	/nfs/dbraw/zinc/57/56/55/380575655.db2.gz	HBSUPUASWRCDHR-UHFFFAOYSA-N	-1	0	296.735	2.914	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NCCCCCC(=O)[O-]	ZINC000336819328	380683487	/nfs/dbraw/zinc/68/34/87/380683487.db2.gz	ZHCSPXROEIXJBU-UHFFFAOYSA-N	-1	0	270.373	2.533	20	30		CFEDRM
N#Cc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1	ZINC000181140894	380746758	/nfs/dbraw/zinc/74/67/58/380746758.db2.gz	XQPRGQRBOSEWOV-UHFFFAOYSA-N	-1	0	290.319	2.639	20	30		CFEDRM
N#Cc1cnccc1/C=C/c1cccc(OCCC(=O)[O-])c1	ZINC000347423060	381141855	/nfs/dbraw/zinc/14/18/55/381141855.db2.gz	GCYJFQBPROJXDA-SNAWJCMRSA-N	-1	0	294.310	2.977	20	30		CFEDRM
CC(C)(C)c1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354460957	381286560	/nfs/dbraw/zinc/28/65/60/381286560.db2.gz	AUHLOCJYUMGBQI-SECBINFHSA-N	-1	0	286.360	2.721	20	30		CFEDRM
N#Cc1cccc(COc2ccc(-c3n[n-]c(=N)o3)cc2)c1	ZINC000359352410	381368056	/nfs/dbraw/zinc/36/80/56/381368056.db2.gz	PPVFRAZSENUWMI-UHFFFAOYSA-N	-1	0	292.298	2.600	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](SCc1ccccc1)C(C)C	ZINC000291093119	381664571	/nfs/dbraw/zinc/66/45/71/381664571.db2.gz	PTFYWRLDQFFIPB-CQSZACIVSA-N	-1	0	277.389	2.625	20	30		CFEDRM
C=CCOc1ccc(CN=c2[n-]c(C3CC3)no2)cc1	ZINC000343246214	381670049	/nfs/dbraw/zinc/67/00/49/381670049.db2.gz	GYTBUYMQDUCOPV-UHFFFAOYSA-N	-1	0	271.320	2.546	20	30		CFEDRM
C#CCO[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1	ZINC000291166965	381692656	/nfs/dbraw/zinc/69/26/56/381692656.db2.gz	DETLATAEEPBNSU-MRVPVSSYSA-N	-1	0	272.131	2.778	20	30		CFEDRM
CC[C@H](C)CONC(=O)Nc1cc(C#N)ccc1OC	ZINC000292909584	381897704	/nfs/dbraw/zinc/89/77/04/381897704.db2.gz	KQKWOUNDOKHHPQ-JTQLQIEISA-N	-1	0	277.324	2.666	20	30		CFEDRM
CCCCCCCC(=O)N1CCC(COC)(C(=O)[O-])CC1	ZINC000373550350	382018470	/nfs/dbraw/zinc/01/84/70/382018470.db2.gz	HDUISTHYGQDUBK-UHFFFAOYSA-N	-1	0	299.411	2.687	20	30		CFEDRM
Cc1occc1-c1n[n-]c(=NCc2ccc(C#N)cc2F)o1	ZINC000352009071	382125099	/nfs/dbraw/zinc/12/50/99/382125099.db2.gz	SRRSLONFYUGPAD-UHFFFAOYSA-N	-1	0	298.277	2.683	20	30		CFEDRM
C=CCCc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000417800484	382071953	/nfs/dbraw/zinc/07/19/53/382071953.db2.gz	UTUQVFSOLOZFHO-LBPRGKRZSA-N	-1	0	290.363	2.990	20	30		CFEDRM
CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#N)c(O)c1	ZINC000188612557	382443086	/nfs/dbraw/zinc/44/30/86/382443086.db2.gz	NXDRVRKYLMUUJL-JSGCOSHPSA-N	-1	0	290.388	2.668	20	30		CFEDRM
CC[C@H](C)c1ncc(NC(=O)c2ccc(C#N)c([O-])c2)cn1	ZINC000358144932	382467946	/nfs/dbraw/zinc/46/79/46/382467946.db2.gz	GQMOGYCMKJRMEQ-JTQLQIEISA-N	-1	0	296.330	2.820	20	30		CFEDRM
CCc1ocnc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000353020021	382489323	/nfs/dbraw/zinc/48/93/23/382489323.db2.gz	CDCOCCKGPXMDNR-VIFPVBQESA-N	-1	0	281.271	2.868	20	30		CFEDRM
CC(C)n1cc(C#N)c(=NC(=O)c2ccc([C@H]3C[C@H]3C)o2)[n-]1	ZINC000366639503	382537131	/nfs/dbraw/zinc/53/71/31/382537131.db2.gz	TVAOEFQDCJMYLM-PWSUYJOCSA-N	-1	0	298.346	2.726	20	30		CFEDRM
N#CC(=C([O-])c1cscn1)c1cnc2ccccc2n1	ZINC000190903064	382684543	/nfs/dbraw/zinc/68/45/43/382684543.db2.gz	PDSZDMVZTLYYMA-SECBINFHSA-N	-1	0	280.312	2.576	20	30		CFEDRM
C=C(C)C[C@@H](C)C(=O)NCC(CC)(CC)C(=O)[O-]	ZINC000192903897	382713472	/nfs/dbraw/zinc/71/34/72/382713472.db2.gz	LPMRUHFNBLQOHB-LLVKDONJSA-N	-1	0	255.358	2.596	20	30		CFEDRM
C=C(C)CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-]	ZINC000194544713	382747682	/nfs/dbraw/zinc/74/76/82/382747682.db2.gz	DFRQPMKNIPLJBA-UHFFFAOYSA-N	-1	0	291.738	2.537	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cccc3nccnc32)n1	ZINC000543580557	382971843	/nfs/dbraw/zinc/97/18/43/382971843.db2.gz	RNURHDVOVMIXJJ-NSHDSACASA-N	-1	0	294.339	2.885	20	30		CFEDRM
C=CCCCC(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1	ZINC000447800467	383008804	/nfs/dbraw/zinc/00/88/04/383008804.db2.gz	SVHZHMRZMBHEFK-UHFFFAOYSA-N	-1	0	259.309	2.695	20	30		CFEDRM
C=CCCC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1	ZINC000448993775	383125542	/nfs/dbraw/zinc/12/55/42/383125542.db2.gz	NOOUMLJLHQWVFR-HNNXBMFYSA-N	-1	0	279.311	2.598	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H](C)c1ccc(CC)cc1)C(=O)[O-]	ZINC000448998152	383126256	/nfs/dbraw/zinc/12/62/56/383126256.db2.gz	WAVZMUJUSJRYDL-WFASDCNBSA-N	-1	0	289.375	2.888	20	30		CFEDRM
CC(=Cc1ccc(F)cc1C)c1nc(C)c(C#N)c(=O)[n-]1	ZINC000588611103	383119187	/nfs/dbraw/zinc/11/91/87/383119187.db2.gz	DSPRREJZSDKJDG-UXBLZVDNSA-N	-1	0	283.306	2.958	20	30		CFEDRM
C=CCC[C@H](O)CN(CC)c1cccc(C(=O)[O-])c1	ZINC000565549860	383180419	/nfs/dbraw/zinc/18/04/19/383180419.db2.gz	NDLJQOMWZBIRGU-AWEZNQCLSA-N	-1	0	263.337	2.538	20	30		CFEDRM
CC(C)C[C@@H](CNc1c(C#N)cccc1C#N)C(=O)[O-]	ZINC000424374001	383204926	/nfs/dbraw/zinc/20/49/26/383204926.db2.gz	KNDDMUOJFRZBMF-ZDUSSCGKSA-N	-1	0	271.320	2.589	20	30		CFEDRM
C=CCCC[C@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1	ZINC000556680236	383151640	/nfs/dbraw/zinc/15/16/40/383151640.db2.gz	UBQLPAYZMKYATO-RYUDHWBXSA-N	-1	0	282.384	2.768	20	30		CFEDRM
C=CCC1(NC(=O)N=c2cc(C)c(C)n[n-]2)CCCCC1	ZINC000562849034	383162653	/nfs/dbraw/zinc/16/26/53/383162653.db2.gz	IVVAGLXFFKGHOX-UHFFFAOYSA-N	-1	0	288.395	2.916	20	30		CFEDRM
CCCc1nc(=NCc2ccc(CC#N)cc2)s[n-]1	ZINC000563047207	383164843	/nfs/dbraw/zinc/16/48/43/383164843.db2.gz	DCBSPTXJBXIEQI-UHFFFAOYSA-N	-1	0	272.377	2.591	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634927569	383407403	/nfs/dbraw/zinc/40/74/03/383407403.db2.gz	SQSGOXIZDQTOIT-XGUBFFRZSA-N	-1	0	291.391	2.905	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000634933495	383410667	/nfs/dbraw/zinc/41/06/67/383410667.db2.gz	ZTZRCGNBPJUHCV-NEPJUHHUSA-N	-1	0	265.353	2.514	20	30		CFEDRM
C=C(C)CNC(=O)[C@@](CC)(CC(=O)[O-])c1ccc(C)cc1	ZINC000634940417	383413481	/nfs/dbraw/zinc/41/34/81/383413481.db2.gz	CWCHUPILUYSWMT-KRWDZBQOSA-N	-1	0	289.375	2.810	20	30		CFEDRM
C=C(C)CNC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl	ZINC000634940903	383413768	/nfs/dbraw/zinc/41/37/68/383413768.db2.gz	PVNJBVCUJMKMJP-VIFPVBQESA-N	-1	0	299.729	2.730	20	30		CFEDRM
C=C(C)CCNC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000634839512	383375588	/nfs/dbraw/zinc/37/55/88/383375588.db2.gz	LWBIYMJDSDEBIW-MRXNPFEDSA-N	-1	0	293.338	2.641	20	30		CFEDRM
C=C(CC)CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1	ZINC000634840697	383376723	/nfs/dbraw/zinc/37/67/23/383376723.db2.gz	SFDMXEMYWGESHO-AWEZNQCLSA-N	-1	0	281.377	2.563	20	30		CFEDRM
C=CC[C@@H](CC)NC(=O)[C@](C)(CC(=O)[O-])CC(C)C	ZINC000634941467	383414487	/nfs/dbraw/zinc/41/44/87/383414487.db2.gz	CZMIBJJWUKGYCS-DOMZBBRYSA-N	-1	0	269.385	2.984	20	30		CFEDRM
C=C(C)CN(CC)C(=O)[C@@](C)(CC(=O)[O-])CC(C)C	ZINC000634852129	383382528	/nfs/dbraw/zinc/38/25/28/383382528.db2.gz	NEHDNUJPLOYCDW-OAHLLOKOSA-N	-1	0	269.385	2.938	20	30		CFEDRM
C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C(=O)[O-]	ZINC000634864501	383386065	/nfs/dbraw/zinc/38/60/65/383386065.db2.gz	MXZICNKOJDTDMF-LSDHHAIUSA-N	-1	0	287.359	2.702	20	30		CFEDRM
C=CCN(CC(F)(F)F)C(=O)CC1(CC(=O)[O-])CCC1	ZINC000634870938	383388203	/nfs/dbraw/zinc/38/82/03/383388203.db2.gz	XJXAYJIZJBORPF-UHFFFAOYSA-N	-1	0	293.285	2.598	20	30		CFEDRM
CCCCn1ncc(C([O-])=C(C#N)c2ccncn2)c1CC	ZINC000429277784	383506701	/nfs/dbraw/zinc/50/67/01/383506701.db2.gz	HKBZIGWBLPCRCG-LBPRGKRZSA-N	-1	0	297.362	2.526	20	30		CFEDRM
CCCCn1ncc(C([O-])=C(C#N)c2ccncn2)c1CC	ZINC000429277782	383506750	/nfs/dbraw/zinc/50/67/50/383506750.db2.gz	HKBZIGWBLPCRCG-GFCCVEGCSA-N	-1	0	297.362	2.526	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)NC1CCC(C(=O)[O-])CC1	ZINC000635518388	383576494	/nfs/dbraw/zinc/57/64/94/383576494.db2.gz	RNHBEWUEJQAHHM-UHFFFAOYSA-N	-1	0	296.411	2.921	20	30		CFEDRM
C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1	ZINC000635530525	383578723	/nfs/dbraw/zinc/57/87/23/383578723.db2.gz	WZISENISZYQOFF-OLZOCXBDSA-N	-1	0	296.411	2.731	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1[n-]nc(C(C)(C)C)s1	ZINC000435589085	383776399	/nfs/dbraw/zinc/77/63/99/383776399.db2.gz	PTGCBVNKURBNMK-GHMZBOCLSA-N	-1	0	281.425	2.651	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@@H]1CN=c1nc(C(C)(C)C)[n-]s1	ZINC000435596033	383776421	/nfs/dbraw/zinc/77/64/21/383776421.db2.gz	GBOHSFVJEFEMIF-GHMZBOCLSA-N	-1	0	281.425	2.651	20	30		CFEDRM
C[C@H](C#N)CN(C(=O)c1ccc([O-])c(Cl)c1)C1CC1	ZINC000436739545	383887552	/nfs/dbraw/zinc/88/75/52/383887552.db2.gz	OESNNCLHMHLWAG-SECBINFHSA-N	-1	0	278.739	2.810	20	30		CFEDRM
CC(C)(CCC#N)CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000436740508	383888470	/nfs/dbraw/zinc/88/84/70/383888470.db2.gz	RCEUHIFWHDGWPU-UHFFFAOYSA-N	-1	0	282.290	2.730	20	30		CFEDRM
C=CC[C@H](CC)NC(=O)N=c1[n-]nc(SCC)s1	ZINC000439335051	384033929	/nfs/dbraw/zinc/03/39/29/384033929.db2.gz	YFGFEEJPJJFWDA-QMMMGPOBSA-N	-1	0	286.426	2.548	20	30		CFEDRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/[C@H]2CCSC2)c1[O-]	ZINC000266328302	384149576	/nfs/dbraw/zinc/14/95/76/384149576.db2.gz	JLGPQLRDZDSEAY-DHIBQTOVSA-N	-1	0	286.740	2.878	20	30		CFEDRM
Cc1cc(C(C#N)=C([O-])c2nc3c(s2)CCC3)nc(C)n1	ZINC000643027201	384477779	/nfs/dbraw/zinc/47/77/79/384477779.db2.gz	NJMASAOHLWWBJJ-SNVBAGLBSA-N	-1	0	298.371	2.529	20	30		CFEDRM
CSc1nc(=NC(=O)N2CC[C@H]3CCC[C@@H]32)s[n-]1	ZINC000330247284	533091086	/nfs/dbraw/zinc/09/10/86/533091086.db2.gz	LPQZHEIYBQGGRM-SFYZADRCSA-N	-1	0	284.410	2.680	20	30		CFEDRM
O=C([N-]CC(F)(F)F)C(F)(F)c1c(F)cccc1F	ZINC000270119774	384982882	/nfs/dbraw/zinc/98/28/82/384982882.db2.gz	JUTAHLACJVGIBN-UHFFFAOYSA-N	-1	0	289.150	2.735	20	30		CFEDRM
CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C#N)o1	ZINC000288115009	197007275	/nfs/dbraw/zinc/00/72/75/197007275.db2.gz	CEXIJNAWYNIJAX-UHFFFAOYSA-N	-1	0	297.361	2.532	20	30		CFEDRM
N#CCCCOc1cccc(NC(=O)c2ncccc2[O-])c1	ZINC000171262426	335061095	/nfs/dbraw/zinc/06/10/95/335061095.db2.gz	CWBBVJLRTPERLE-UHFFFAOYSA-N	-1	0	297.314	2.722	20	30		CFEDRM
N#Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1	ZINC000357162415	130406973	/nfs/dbraw/zinc/40/69/73/130406973.db2.gz	ZXWVCAZHBRJCGX-UHFFFAOYSA-N	-1	0	297.339	2.840	20	30		CFEDRM
C=CCOCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000237964481	131069094	/nfs/dbraw/zinc/06/90/94/131069094.db2.gz	GDDUFPSWBZUNBU-UHFFFAOYSA-N	-1	0	297.738	2.960	20	30		CFEDRM
C=CC[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-]	ZINC000262069707	131188360	/nfs/dbraw/zinc/18/83/60/131188360.db2.gz	FFOKHTKUAGMFRS-MNOVXSKESA-N	-1	0	293.388	2.946	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1	ZINC000263144994	131283991	/nfs/dbraw/zinc/28/39/91/131283991.db2.gz	UMIKBRKEXDIWNW-LBPRGKRZSA-N	-1	0	291.347	2.715	20	30		CFEDRM
C=CCC1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCC1	ZINC000263162845	131284283	/nfs/dbraw/zinc/28/42/83/131284283.db2.gz	PAVOOWHAABKMBD-UHFFFAOYSA-N	-1	0	289.331	2.835	20	30		CFEDRM
C=CCOc1ccccc1CNC(=O)CCCCC(=O)[O-]	ZINC000263302360	131289715	/nfs/dbraw/zinc/28/97/15/131289715.db2.gz	NRHTYGOXDSWBFP-UHFFFAOYSA-N	-1	0	291.347	2.513	20	30		CFEDRM
C=CCCC(=O)N1CCC(Cc2occc2C(=O)[O-])CC1	ZINC000374096721	393482888	/nfs/dbraw/zinc/48/28/88/393482888.db2.gz	ZDAAWNAGONFLTQ-UHFFFAOYSA-N	-1	0	291.347	2.725	20	30		CFEDRM
Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)o1	ZINC000193390440	393649630	/nfs/dbraw/zinc/64/96/30/393649630.db2.gz	VOGZRCYFBKODLL-NSHDSACASA-N	-1	0	292.298	2.863	20	30		CFEDRM
COc1cccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)c1F	ZINC000195503782	393741967	/nfs/dbraw/zinc/74/19/67/393741967.db2.gz	PABBTTNDJLYYCX-VQHVLOKHSA-N	-1	0	299.305	2.658	20	30		CFEDRM
Cc1csc(C(C#N)=C([O-])c2cncnc2C(C)C)n1	ZINC000338191559	393776755	/nfs/dbraw/zinc/77/67/55/393776755.db2.gz	SVTUMORABXMSAU-SNVBAGLBSA-N	-1	0	286.360	2.855	20	30		CFEDRM
C=CC[C@@H](Cc1ccccc1)N=c1[n-]nc(C2CC2)o1	ZINC000413589837	393785961	/nfs/dbraw/zinc/78/59/61/393785961.db2.gz	ZDOQAJIZVRHPAX-AWEZNQCLSA-N	-1	0	269.348	2.968	20	30		CFEDRM
CCCOc1cc(C)ccc1[N-]S(=O)(=O)[C@@H](C#N)CC	ZINC000416934639	393945952	/nfs/dbraw/zinc/94/59/52/393945952.db2.gz	DRVVHRBWQJTZAQ-GFCCVEGCSA-N	-1	0	296.392	2.828	20	30		CFEDRM
CC(C)(C)CC[C@H](Nc1cc(C#N)ccn1)C(=O)[O-]	ZINC000416444616	393921303	/nfs/dbraw/zinc/92/13/03/393921303.db2.gz	YUPWSGAWEYTASV-NSHDSACASA-N	-1	0	261.325	2.645	20	30		CFEDRM
C=C(C)Cn1c(CCCC)n[n-]c1=Nc1c(C)n[nH]c1C	ZINC000359102961	394124113	/nfs/dbraw/zinc/12/41/13/394124113.db2.gz	MGGSFWPATVUHNZ-UHFFFAOYSA-N	-1	0	288.399	2.702	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N(CC(=O)[O-])C1CCCCC1	ZINC000685019255	542888414	/nfs/dbraw/zinc/88/84/14/542888414.db2.gz	AHWPLXIQIYNVQI-LBPRGKRZSA-N	-1	0	267.369	2.835	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC000685019791	542888525	/nfs/dbraw/zinc/88/85/25/542888525.db2.gz	XLBNCGBHQOQWBR-STQMWFEESA-N	-1	0	281.396	2.938	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nc2ccccc2o1	ZINC000685784743	542944094	/nfs/dbraw/zinc/94/40/94/542944094.db2.gz	HBKHTDGDBFHBLY-NSHDSACASA-N	-1	0	288.266	2.585	20	30		CFEDRM
N#CC(=C([O-])c1cccc(C#N)n1)c1nc2ccccc2o1	ZINC000685784742	542944196	/nfs/dbraw/zinc/94/41/96/542944196.db2.gz	HBKHTDGDBFHBLY-LLVKDONJSA-N	-1	0	288.266	2.585	20	30		CFEDRM
Cn1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1	ZINC000647378220	395320373	/nfs/dbraw/zinc/32/03/73/395320373.db2.gz	FTIPNJFYQZWHSI-LLVKDONJSA-N	-1	0	271.345	2.849	20	30		CFEDRM
Cc1ncoc1C([O-])=C(C#N)c1nc(C2CC2)cs1	ZINC000647378922	395320999	/nfs/dbraw/zinc/32/09/99/395320999.db2.gz	NJKRUYQYPJAYOU-SECBINFHSA-N	-1	0	273.317	2.807	20	30		CFEDRM
C=C[C@@H](CC(=O)NC[C@@H](CC)C(=O)[O-])c1ccccc1	ZINC000649264083	395464186	/nfs/dbraw/zinc/46/41/86/395464186.db2.gz	RKBDQBMRLMKNHY-QWHCGFSZSA-N	-1	0	275.348	2.573	20	30		CFEDRM
C=CCC[C@H](NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-]	ZINC000648345104	395544553	/nfs/dbraw/zinc/54/45/53/395544553.db2.gz	SKXUOLJILQYMKN-AVGNSLFASA-N	-1	0	279.380	2.760	20	30		CFEDRM
C=CCC[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-]	ZINC000648345095	395544616	/nfs/dbraw/zinc/54/46/16/395544616.db2.gz	QYZMUNPLNKRXJK-DZGCQCFKSA-N	-1	0	287.359	2.642	20	30		CFEDRM
C=CC[C@@H]1CCCN(c2ccc(C(=O)[O-])c(OC)n2)C1	ZINC000656783709	413222244	/nfs/dbraw/zinc/22/22/44/413222244.db2.gz	SVRLMVPPNQMIOF-LLVKDONJSA-N	-1	0	276.336	2.581	20	30		CFEDRM
C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[O-]	ZINC000657036649	413292437	/nfs/dbraw/zinc/29/24/37/413292437.db2.gz	KZTJMDUGDBFXCW-STQMWFEESA-N	-1	0	295.404	2.805	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1[O-]	ZINC000657036647	413293821	/nfs/dbraw/zinc/29/38/21/413293821.db2.gz	KZTJMDUGDBFXCW-OLZOCXBDSA-N	-1	0	295.404	2.805	20	30		CFEDRM
N#Cc1ccncc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000362955731	156125295	/nfs/dbraw/zinc/12/52/95/156125295.db2.gz	TYZRWYAZLNJNRA-UHFFFAOYSA-N	-1	0	273.679	2.565	20	30		CFEDRM
N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000022174745	171369830	/nfs/dbraw/zinc/36/98/30/171369830.db2.gz	KULOLLPRGWBHOW-CQSZACIVSA-N	-1	0	295.298	2.506	20	30		CFEDRM
CC(C)(C(=O)[N-]OC1CCCC1)c1cc(F)cc(C#N)c1	ZINC000285789560	196398524	/nfs/dbraw/zinc/39/85/24/196398524.db2.gz	KSFJBVIPURPJQX-UHFFFAOYSA-N	-1	0	290.338	2.965	20	30		CFEDRM
N#Cc1cc([N+](=O)[O-])ccc1NC1CCC(C(=O)[O-])CC1	ZINC000037561837	173272557	/nfs/dbraw/zinc/27/25/57/173272557.db2.gz	XHZJORLEEFHGQO-UHFFFAOYSA-N	-1	0	289.291	2.522	20	30		CFEDRM
C=CCC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C(=O)[O-]	ZINC000659152637	414456141	/nfs/dbraw/zinc/45/61/41/414456141.db2.gz	BSZHSXIHNJLLSI-QMMMGPOBSA-N	-1	0	281.274	2.501	20	30		CFEDRM
C=CC[C@H]1CCCC[C@H]1NC(=O)CC1(C(=O)[O-])CCC1	ZINC000659166987	414459942	/nfs/dbraw/zinc/45/99/42/414459942.db2.gz	ZVSLQIGSKVRXJH-QWHCGFSZSA-N	-1	0	279.380	2.883	20	30		CFEDRM
C=CC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C1	ZINC000659170186	414461683	/nfs/dbraw/zinc/46/16/83/414461683.db2.gz	RAZGIIGHIPMZKU-LBPRGKRZSA-N	-1	0	288.347	2.517	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1	ZINC000659183004	414463471	/nfs/dbraw/zinc/46/34/71/414463471.db2.gz	OTFSPPRSGMNALY-NWDGAFQWSA-N	-1	0	293.367	2.850	20	30		CFEDRM
C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(=O)[O-])c1	ZINC000659228051	414474227	/nfs/dbraw/zinc/47/42/27/414474227.db2.gz	HXFCYNKZMXXKCB-OKILXGFUSA-N	-1	0	271.316	2.708	20	30		CFEDRM
C=CCCCN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000655905594	414490104	/nfs/dbraw/zinc/49/01/04/414490104.db2.gz	YBCAWCXZXPILEN-RWMBFGLXSA-N	-1	0	296.411	2.729	20	30		CFEDRM
C=C[C@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C	ZINC000659415864	414517887	/nfs/dbraw/zinc/51/78/87/414517887.db2.gz	NTFHENKVTHMUKR-KBPBESRZSA-N	-1	0	296.411	2.874	20	30		CFEDRM
C=CCCC(C)(C)NC(=O)NCCC(C)(C)C(=O)[O-]	ZINC000659410063	414518575	/nfs/dbraw/zinc/51/85/75/414518575.db2.gz	XPZFVPOKONXNHD-UHFFFAOYSA-N	-1	0	270.373	2.531	20	30		CFEDRM
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C(=O)[O-])C(C)C	ZINC000659411251	414518730	/nfs/dbraw/zinc/51/87/30/414518730.db2.gz	MBARKECFBQAPRG-MCIONIFRSA-N	-1	0	296.411	2.777	20	30		CFEDRM
C=CCCCCCN(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C	ZINC000663075093	414650790	/nfs/dbraw/zinc/65/07/90/414650790.db2.gz	TWEAQXIPMUDMRZ-OAHLLOKOSA-N	-1	0	267.369	2.692	20	30		CFEDRM
C=CC[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1	ZINC000663125984	414654179	/nfs/dbraw/zinc/65/41/79/414654179.db2.gz	AVBVHUCFQVSFKF-TZMCWYRMSA-N	-1	0	279.380	2.692	20	30		CFEDRM
C[C@@]1(C(=O)[O-])CCN(c2cc(Cl)ccc2C#N)C1	ZINC000062926480	175677977	/nfs/dbraw/zinc/67/79/77/175677977.db2.gz	VHAPCNADQUVKES-CYBMUJFWSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#CCSc1cccc(C([O-])=C(C#N)c2ccncn2)c1	ZINC000354466958	227003102	/nfs/dbraw/zinc/00/31/02/227003102.db2.gz	JKTJFGPFOALPCY-ZDUSSCGKSA-N	-1	0	294.339	2.582	20	30		CFEDRM
O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12	ZINC000329171857	227337138	/nfs/dbraw/zinc/33/71/38/227337138.db2.gz	KUAVHEMDYJKTBE-HBNTYKKESA-N	-1	0	278.356	2.573	20	30		CFEDRM
C=C(CC)CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1	ZINC000313488121	260298331	/nfs/dbraw/zinc/29/83/31/260298331.db2.gz	PPQFVQYAZLPOKB-INIZCTEOSA-N	-1	0	275.348	2.501	20	30		CFEDRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)c1	ZINC000048505647	260655438	/nfs/dbraw/zinc/65/54/38/260655438.db2.gz	OVRSTRQAWXNXFU-LBPRGKRZSA-N	-1	0	279.361	2.997	20	30		CFEDRM
Cc1occc1C(=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000049513405	260662087	/nfs/dbraw/zinc/66/20/87/260662087.db2.gz	UBMWNBZFMBQSSG-UHFFFAOYSA-N	-1	0	271.338	2.555	20	30		CFEDRM
CC(C)Cc1nc(C([O-])=C(C#N)c2ccncn2)cs1	ZINC000354460196	261607838	/nfs/dbraw/zinc/60/78/38/261607838.db2.gz	FPSSFVVKNSVFCQ-SNVBAGLBSA-N	-1	0	286.360	2.622	20	30		CFEDRM
N#CCc1ccc(NC(=O)c2c([O-])cccc2F)cc1	ZINC000119151202	262152900	/nfs/dbraw/zinc/15/29/00/262152900.db2.gz	WGBZYYLVXVOONI-UHFFFAOYSA-N	-1	0	270.263	2.850	20	30		CFEDRM
CC(C)c1ncc(C([O-])=C(C#N)c2ccncn2)s1	ZINC000354482244	262265780	/nfs/dbraw/zinc/26/57/80/262265780.db2.gz	ZJHJDEDSWQFCSM-SECBINFHSA-N	-1	0	272.333	2.547	20	30		CFEDRM
CC(C)c1csc(C(C#N)=C([O-])c2cncnc2)n1	ZINC000355236571	262356354	/nfs/dbraw/zinc/35/63/54/262356354.db2.gz	XCGGYZMELSYWTL-JTQLQIEISA-N	-1	0	272.333	2.547	20	30		CFEDRM
CCN(CCC#N)C(=O)c1cnc2ccc(C)cc2c1O	ZINC000273188024	263013695	/nfs/dbraw/zinc/01/36/95/263013695.db2.gz	HRCAIQBTKNIUPI-UHFFFAOYSA-N	-1	0	283.331	2.625	20	30		CFEDRM
CCOC(CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])OCC	ZINC000276438492	263036670	/nfs/dbraw/zinc/03/66/70/263036670.db2.gz	ZUIMATCAUWNJJB-XNTDXEJSSA-N	-1	0	296.323	2.509	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000088476813	263054202	/nfs/dbraw/zinc/05/42/02/263054202.db2.gz	SRWVFAOKBXCAGN-MRVPVSSYSA-N	-1	0	276.720	2.523	20	30		CFEDRM
Cc1nocc1/C=C1\CCc2oc(C(=O)[O-])c(C)c2C1=O	ZINC000296018751	263184768	/nfs/dbraw/zinc/18/47/68/263184768.db2.gz	ULDTYBJEUMWMKF-WEVVVXLNSA-N	-1	0	287.271	2.795	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1ccc(OC(C)C)cc1F	ZINC000120142024	263281656	/nfs/dbraw/zinc/28/16/56/263281656.db2.gz	LUCAOQGXKUJNOJ-UHFFFAOYSA-N	-1	0	287.356	2.931	20	30		CFEDRM
C=CCCS(=O)(=O)Nc1cc(Cl)cc(C)c1O	ZINC000120238654	263284304	/nfs/dbraw/zinc/28/43/04/263284304.db2.gz	FERFODHPBAQSSJ-UHFFFAOYSA-N	-1	0	275.757	2.672	20	30		CFEDRM
C=C(CN=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1	ZINC000340914803	263314458	/nfs/dbraw/zinc/31/44/58/263314458.db2.gz	NXPKPIDASAWABH-LLVKDONJSA-N	-1	0	275.377	2.793	20	30		CFEDRM
C=CCCCC(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC000343104973	263596540	/nfs/dbraw/zinc/59/65/40/263596540.db2.gz	SIQWBECNFMZOMW-UHFFFAOYSA-N	-1	0	251.257	2.819	20	30		CFEDRM
CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000331228355	264151225	/nfs/dbraw/zinc/15/12/25/264151225.db2.gz	GNPCAGIUCKZMGQ-PRHODGIISA-N	-1	0	285.290	2.790	20	30		CFEDRM
CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(F)c([O-])c(F)c1	ZINC000331228356	264151511	/nfs/dbraw/zinc/15/15/11/264151511.db2.gz	GNPCAGIUCKZMGQ-QPUJVOFHSA-N	-1	0	285.290	2.790	20	30		CFEDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cc(C#N)ccc3n2)C1	ZINC000518959731	265250424	/nfs/dbraw/zinc/25/04/24/265250424.db2.gz	JDJFRZSQHDDBQK-BXUZGUMPSA-N	-1	0	295.342	2.653	20	30		CFEDRM
C=CCSc1ccccc1C(=O)N=c1[nH][n-]c(C)c1C#N	ZINC000357154850	266255525	/nfs/dbraw/zinc/25/55/25/266255525.db2.gz	FNMVOBHRAPWDAS-UHFFFAOYSA-N	-1	0	298.371	2.542	20	30		CFEDRM
Cc1cc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]nc1C	ZINC000361702304	266872273	/nfs/dbraw/zinc/87/22/73/266872273.db2.gz	LXAVLQYWDUSGCU-UHFFFAOYSA-N	-1	0	294.358	2.569	20	30		CFEDRM
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C#N)c([O-])c1	ZINC000188246617	267095259	/nfs/dbraw/zinc/09/52/59/267095259.db2.gz	HFDLYPXTTJNXPM-LLVKDONJSA-N	-1	0	278.311	2.855	20	30		CFEDRM
Cc1ncsc1C([O-])=C(C#N)c1nc2ccccc2[nH]1	ZINC000118911972	267280614	/nfs/dbraw/zinc/28/06/14/267280614.db2.gz	BJAOOHOHIHNQDG-SECBINFHSA-N	-1	0	282.328	2.818	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2nccc(C)c2C#N)c1	ZINC001243178551	782039999	/nfs/dbraw/zinc/03/99/99/782039999.db2.gz	SIZSYCXDZUTAEE-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
Cc1cc(C(=O)[O-])cc(-c2cc(C#N)nc(C3CC3)n2)c1	ZINC001243179340	782040191	/nfs/dbraw/zinc/04/01/91/782040191.db2.gz	OZELKDOCLPVGDF-UHFFFAOYSA-N	-1	0	279.299	2.899	20	30		CFEDRM
N#Cc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000195406040	270253707	/nfs/dbraw/zinc/25/37/07/270253707.db2.gz	MJACIFLREOZXFF-AATRIKPKSA-N	-1	0	295.254	2.730	20	30		CFEDRM
CC(C)Oc1ccc(NC(=O)c2ncccc2[O-])cc1C#N	ZINC000132554002	280732648	/nfs/dbraw/zinc/73/26/48/280732648.db2.gz	YEZWITCTINBHOD-UHFFFAOYSA-N	-1	0	297.314	2.698	20	30		CFEDRM
COc1cc(CN=c2nc(C(C)C)[n-]s2)ccc1C#N	ZINC000558600169	281986353	/nfs/dbraw/zinc/98/63/53/281986353.db2.gz	PNVYMHXNNMOACH-UHFFFAOYSA-N	-1	0	288.376	2.576	20	30		CFEDRM
N#Cc1ccc2c(c1)CCC[C@@H]2N=c1[n-]nc(C(F)F)o1	ZINC000561242448	282050509	/nfs/dbraw/zinc/05/05/09/282050509.db2.gz	GKMRBONRYQFBRF-NSHDSACASA-N	-1	0	290.273	2.790	20	30		CFEDRM
N#Cc1cccc(Cl)c1N1CCC[C@@H](CC(=O)[O-])C1	ZINC000563517392	290157240	/nfs/dbraw/zinc/15/72/40/290157240.db2.gz	HKJQBNMTXSQLKL-JTQLQIEISA-N	-1	0	278.739	2.903	20	30		CFEDRM
CCc1cc(C#N)c([N-]S(=O)(=O)c2ccc(C)o2)s1	ZINC000564576546	290216176	/nfs/dbraw/zinc/21/61/76/290216176.db2.gz	NDPUAAIGWNNUCY-UHFFFAOYSA-N	-1	0	296.373	2.884	20	30		CFEDRM
Cc1ccc(-c2nccc(F)c2C#N)cc1C(=O)[O-]	ZINC001243193778	782054785	/nfs/dbraw/zinc/05/47/85/782054785.db2.gz	NNPGLOBYEQKHHG-UHFFFAOYSA-N	-1	0	256.236	2.766	20	30		CFEDRM
COC(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1C#N	ZINC000567739632	290489863	/nfs/dbraw/zinc/48/98/63/290489863.db2.gz	YTCOBOHZDVXOSW-UHFFFAOYSA-N	-1	0	281.267	2.710	20	30		CFEDRM
C=CCNC(=O)c1ccc(-c2ccc(C)c(C(=O)[O-])c2)nc1	ZINC001243196420	782058164	/nfs/dbraw/zinc/05/81/64/782058164.db2.gz	XSQCMXSTAPLNQM-UHFFFAOYSA-N	-1	0	296.326	2.671	20	30		CFEDRM
Cc1ccnc(-c2ccc(C(=O)[O-])cc2C)c1C#N	ZINC001243202316	782062106	/nfs/dbraw/zinc/06/21/06/782062106.db2.gz	OPMGLHVQDWDQOA-UHFFFAOYSA-N	-1	0	252.273	2.935	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1	ZINC000335112195	303168513	/nfs/dbraw/zinc/16/85/13/303168513.db2.gz	WTWVCMCBQSEENE-IONNQARKSA-N	-1	0	282.702	2.607	20	30		CFEDRM
N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]1C(=O)[O-]	ZINC000057377396	303180269	/nfs/dbraw/zinc/18/02/69/303180269.db2.gz	PMMTYDPHRMYJHM-LLVKDONJSA-N	-1	0	284.237	2.630	20	30		CFEDRM
N#Cc1cc(Cl)ccc1N1CCC(C(=O)[O-])CC1	ZINC000052856190	303180968	/nfs/dbraw/zinc/18/09/68/303180968.db2.gz	QKSDXEXHDFJZJW-UHFFFAOYSA-N	-1	0	264.712	2.513	20	30		CFEDRM
N#Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F	ZINC000163839530	303184565	/nfs/dbraw/zinc/18/45/65/303184565.db2.gz	RPFZXGZPBUWGSV-SECBINFHSA-N	-1	0	298.264	2.878	20	30		CFEDRM
N#Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F	ZINC000037115746	303193163	/nfs/dbraw/zinc/19/31/63/303193163.db2.gz	QOYZELXSHHZZND-SNVBAGLBSA-N	-1	0	298.264	2.878	20	30		CFEDRM
CSc1ncc(C#N)c(-c2ccc(C(=O)[O-])c(C)c2)n1	ZINC001243210437	782070312	/nfs/dbraw/zinc/07/03/12/782070312.db2.gz	IDWCEPUDLNBEDE-UHFFFAOYSA-N	-1	0	285.328	2.744	20	30		CFEDRM
C=CCOc1cc(C)nc(-c2ccc(C(=O)[O-])s2)n1	ZINC001240842265	782077317	/nfs/dbraw/zinc/07/73/17/782077317.db2.gz	FKLGVMOGEVXHHI-UHFFFAOYSA-N	-1	0	276.317	2.777	20	30		CFEDRM
Cc1c[nH]cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000340037024	328116565	/nfs/dbraw/zinc/11/65/65/328116565.db2.gz	GECQNFXMUFLUJW-JTQLQIEISA-N	-1	0	265.272	2.954	20	30		CFEDRM
CCC(CC)[C@H](O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000264611243	328160926	/nfs/dbraw/zinc/16/09/26/328160926.db2.gz	FKYWOVNUQBASPO-VLHYRRCOSA-N	-1	0	280.324	2.516	20	30		CFEDRM
C[C@@H](C#N)CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl	ZINC000267491091	328178670	/nfs/dbraw/zinc/17/86/70/328178670.db2.gz	GBBLPJKDYPIYBG-ZETCQYMHSA-N	-1	0	287.146	2.931	20	30		CFEDRM
CN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1F	ZINC000163787473	322378617	/nfs/dbraw/zinc/37/86/17/322378617.db2.gz	VJKMEGFJTZEKIH-UHFFFAOYSA-N	-1	0	284.290	2.675	20	30		CFEDRM
C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C(=O)[O-]	ZINC000570964982	322561938	/nfs/dbraw/zinc/56/19/38/322561938.db2.gz	BXPJVZQXPHUXIR-SKDRFNHKSA-N	-1	0	278.739	2.759	20	30		CFEDRM
N#Cc1ccc(C(=O)N2CCCc3ccccc32)cc1[O-]	ZINC000188205998	324010337	/nfs/dbraw/zinc/01/03/37/324010337.db2.gz	KRHHLIPWALHLQS-UHFFFAOYSA-N	-1	0	278.311	2.857	20	30		CFEDRM
CC(C)c1nc(=NCCc2cccc(C#N)c2)s[n-]1	ZINC000580972700	325079467	/nfs/dbraw/zinc/07/94/67/325079467.db2.gz	ZWNHXIVZKUWRNM-UHFFFAOYSA-N	-1	0	272.377	2.610	20	30		CFEDRM
Cc1ccc(S(=O)(=O)[N-]C(=O)C2CC=CC2)cc1C	ZINC000077940328	326923724	/nfs/dbraw/zinc/92/37/24/326923724.db2.gz	BFUDNXSDBUGMGW-UHFFFAOYSA-N	-1	0	279.361	2.915	20	30		CFEDRM
C=CCC[C@H](NC(=O)CSc1ccccc1C)C(=O)[O-]	ZINC000262872170	326962343	/nfs/dbraw/zinc/96/23/43/326962343.db2.gz	JUBPNBMDASIRQO-LBPRGKRZSA-N	-1	0	293.388	2.623	20	30		CFEDRM
C=CCCC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])c(C)n1	ZINC000263506933	327062612	/nfs/dbraw/zinc/06/26/12/327062612.db2.gz	BJICZFVMRLCMFF-SNVBAGLBSA-N	-1	0	276.336	2.563	20	30		CFEDRM
CCCN(CC#N)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000092398193	327193951	/nfs/dbraw/zinc/19/39/51/327193951.db2.gz	NSZHQPCCHGZQGK-UHFFFAOYSA-N	-1	0	283.715	2.689	20	30		CFEDRM
N#CCc1ccc(NC2CCC(C(=O)[O-])CC2)cc1	ZINC000261633152	327401973	/nfs/dbraw/zinc/40/19/73/327401973.db2.gz	WBKAFLJOQXPRHR-UHFFFAOYSA-N	-1	0	258.321	2.808	20	30		CFEDRM
Cc1noc(C)c1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000041547460	328712546	/nfs/dbraw/zinc/71/25/46/328712546.db2.gz	ZBLKMGPZOKJHSH-SNVBAGLBSA-N	-1	0	281.271	2.923	20	30		CFEDRM
C=CC[C@H](CC)N=c1nc[nH]c2sc(C(=O)[O-])c(C)c21	ZINC000393756901	329089441	/nfs/dbraw/zinc/08/94/41/329089441.db2.gz	HRWPYOWSZBPKMI-VIFPVBQESA-N	-1	0	291.376	2.886	20	30		CFEDRM
C=CCCCCCNC(=O)N(CC(=O)[O-])C1CCCC1	ZINC000582614473	329117688	/nfs/dbraw/zinc/11/76/88/329117688.db2.gz	GUXDHJLURBEVIV-UHFFFAOYSA-N	-1	0	282.384	2.772	20	30		CFEDRM
N#Cc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)s1	ZINC000176405408	329175266	/nfs/dbraw/zinc/17/52/66/329175266.db2.gz	OPMWJCAFQFPWOS-AWNIVKPZSA-N	-1	0	269.281	2.942	20	30		CFEDRM
CCc1nn(C)cc1C([O-])=C(C#N)c1nc2ccccc2o1	ZINC000181259372	329228101	/nfs/dbraw/zinc/22/81/01/329228101.db2.gz	RBUXSKOKXOMQMB-SNVBAGLBSA-N	-1	0	294.314	2.614	20	30		CFEDRM
N#CC(=C([O-])c1ccco1)c1nc2ccccc2o1	ZINC000041546291	329566040	/nfs/dbraw/zinc/56/60/40/329566040.db2.gz	IJLUYNMVDYUTOF-VIFPVBQESA-N	-1	0	252.229	2.911	20	30		CFEDRM
C=CCOc1cccc(NC(=O)N(CCC)CC(=O)[O-])c1	ZINC000571742099	329919051	/nfs/dbraw/zinc/91/90/51/329919051.db2.gz	HNVOZDALTQDQAX-UHFFFAOYSA-N	-1	0	292.335	2.580	20	30		CFEDRM
C=C(C)CN(CC)C(=O)c1ccc(C(=O)[O-])cc1F	ZINC000262380727	330011708	/nfs/dbraw/zinc/01/17/08/330011708.db2.gz	LLTYHNNIDYDRPY-UHFFFAOYSA-N	-1	0	265.284	2.562	20	30		CFEDRM
C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccsc1	ZINC000572380017	330020942	/nfs/dbraw/zinc/02/09/42/330020942.db2.gz	WGLJAXLXFTURET-ONGXEEELSA-N	-1	0	267.350	2.592	20	30		CFEDRM
C=CC1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1	ZINC000262760898	330029888	/nfs/dbraw/zinc/02/98/88/330029888.db2.gz	KRQHKGHXXYEKCZ-UHFFFAOYSA-N	-1	0	277.295	2.562	20	30		CFEDRM
C=CCC[C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-]	ZINC000262884631	330036043	/nfs/dbraw/zinc/03/60/43/330036043.db2.gz	KXCKBPSWECDRSU-NSHDSACASA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=CCN(Cc1ccccc1F)C(=O)CCCCC(=O)[O-]	ZINC000263239148	330050400	/nfs/dbraw/zinc/05/04/00/330050400.db2.gz	BZLBDYRWKZLVLX-UHFFFAOYSA-N	-1	0	293.338	2.985	20	30		CFEDRM
C=CCN(Cc1cccs1)C(=O)CCCCC(=O)[O-]	ZINC000263263580	330051064	/nfs/dbraw/zinc/05/10/64/330051064.db2.gz	GUKDMJZENACGQX-UHFFFAOYSA-N	-1	0	281.377	2.908	20	30		CFEDRM
C=CCC1(CNC(=O)N2CC[C@](C)(C(=O)[O-])C2)CCCC1	ZINC000263434436	330055503	/nfs/dbraw/zinc/05/55/03/330055503.db2.gz	ZMSOBCRNZKXXLL-HNNXBMFYSA-N	-1	0	294.395	2.629	20	30		CFEDRM
C=CCC[C@@H](NC(=O)c1occc1C(C)C)C(=O)[O-]	ZINC000263545989	330059364	/nfs/dbraw/zinc/05/93/64/330059364.db2.gz	UDIUHNWOOJZCCU-LLVKDONJSA-N	-1	0	265.309	2.552	20	30		CFEDRM
CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)nc1	ZINC000422115268	330125356	/nfs/dbraw/zinc/12/53/56/330125356.db2.gz	BWSBLZXNVDTRHH-LBPRGKRZSA-N	-1	0	280.331	2.659	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1C(F)F	ZINC000424072543	330220288	/nfs/dbraw/zinc/22/02/88/330220288.db2.gz	YNCQPCFYWQVEJM-MRVPVSSYSA-N	-1	0	274.292	2.668	20	30		CFEDRM
CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(F)c1	ZINC000088476768	330376620	/nfs/dbraw/zinc/37/66/20/330376620.db2.gz	PXKCDSXLUVBURB-MRVPVSSYSA-N	-1	0	276.720	2.523	20	30		CFEDRM
CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(F)c1	ZINC000088476767	330376679	/nfs/dbraw/zinc/37/66/79/330376679.db2.gz	PXKCDSXLUVBURB-QMMMGPOBSA-N	-1	0	276.720	2.523	20	30		CFEDRM
C=CCC(C)(C)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-]	ZINC000312327575	330462616	/nfs/dbraw/zinc/46/26/16/330462616.db2.gz	HPKAXMAKAJRUBI-LBPRGKRZSA-N	-1	0	284.400	2.635	20	30		CFEDRM
N#CC(=C([O-])c1cncs1)c1nc2ccccc2o1	ZINC000429672291	330551781	/nfs/dbraw/zinc/55/17/81/330551781.db2.gz	QQQOAIVVSAVNDV-QMMMGPOBSA-N	-1	0	269.285	2.774	20	30		CFEDRM
C=CCN=c1[n-]nc(SCc2cncc(C)c2)s1	ZINC000442906785	330791348	/nfs/dbraw/zinc/79/13/48/330791348.db2.gz	WYDVGPJWMZVIKK-UHFFFAOYSA-N	-1	0	278.406	2.554	20	30		CFEDRM
N#CC1(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCCC1	ZINC000449003876	330890686	/nfs/dbraw/zinc/89/06/86/330890686.db2.gz	PWRPYFKZVIXBDT-CYBMUJFWSA-N	-1	0	292.379	2.610	20	30		CFEDRM
C=CCCCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]	ZINC000449149562	330901871	/nfs/dbraw/zinc/90/18/71/330901871.db2.gz	XFSSIZYWHHFGNV-LLVKDONJSA-N	-1	0	255.358	2.738	20	30		CFEDRM
C=C(C)CCNC(=O)N=c1nc(-c2ccsc2)[n-]s1	ZINC000455129479	331161323	/nfs/dbraw/zinc/16/13/23/331161323.db2.gz	AFQQWHIQYNLAFY-UHFFFAOYSA-N	-1	0	294.405	2.776	20	30		CFEDRM
C=CC[C@H](C(=O)N=c1nc(C)[n-]s1)c1ccccc1	ZINC000489025902	332038200	/nfs/dbraw/zinc/03/82/00/332038200.db2.gz	XWUOCEATFRMARW-LBPRGKRZSA-N	-1	0	273.361	2.567	20	30		CFEDRM
C#C[C@H](N=c1nc(C)[n-]s1)c1ccc(Cl)cc1	ZINC000491306742	332186688	/nfs/dbraw/zinc/18/66/88/332186688.db2.gz	NOGGEOSSENBSBY-NSHDSACASA-N	-1	0	263.753	2.708	20	30		CFEDRM
C#C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1	ZINC000491701455	332295765	/nfs/dbraw/zinc/29/57/65/332295765.db2.gz	WSBNYERPVLOZNP-SECBINFHSA-N	-1	0	261.630	2.693	20	30		CFEDRM
C#C[C@@H](CCC)NC(=O)c1cc(F)c([O-])c(Cl)c1	ZINC000491734891	332315606	/nfs/dbraw/zinc/31/56/06/332315606.db2.gz	TWTAPICJOOWEFF-VIFPVBQESA-N	-1	0	269.703	2.716	20	30		CFEDRM
C=CCOc1ccccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1	ZINC000516632091	333042085	/nfs/dbraw/zinc/04/20/85/333042085.db2.gz	ZSRIKTXNGSPLFZ-CQSZACIVSA-N	-1	0	289.375	2.938	20	30		CFEDRM
Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)o1	ZINC000193380507	333249211	/nfs/dbraw/zinc/24/92/11/333249211.db2.gz	MRKSZIMKEWNTBN-LLVKDONJSA-N	-1	0	279.299	2.965	20	30		CFEDRM
N#C[C@H](C(=O)c1cc(F)cc2nccnc21)c1ccccn1	ZINC000193590217	333253818	/nfs/dbraw/zinc/25/38/18/333253818.db2.gz	IDRWASUAVKLOFK-LBPRGKRZSA-N	-1	0	292.273	2.654	20	30		CFEDRM
C=CCC[C@@H](NC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-]	ZINC000315922156	333384326	/nfs/dbraw/zinc/38/43/26/333384326.db2.gz	PLKYQPUWPGIYMZ-VXGBXAGGSA-N	-1	0	293.388	2.704	20	30		CFEDRM
C=CCC[C@H](NC(=O)c1cc(CC)c(C)s1)C(=O)[O-]	ZINC000316264034	333387598	/nfs/dbraw/zinc/38/75/98/333387598.db2.gz	DZCHSZCLPBYNCG-NSHDSACASA-N	-1	0	281.377	2.768	20	30		CFEDRM
C=CCC(CC=C)C(=O)N=c1nc(C2(C)CC2)[n-]s1	ZINC000529698088	333506134	/nfs/dbraw/zinc/50/61/34/333506134.db2.gz	KVWNAKUDJYRCPJ-UHFFFAOYSA-N	-1	0	277.393	2.718	20	30		CFEDRM
N#C[C@H]1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])C1	ZINC000578881975	335684874	/nfs/dbraw/zinc/68/48/74/335684874.db2.gz	FVMLPMRDIDIBJW-DTWKUNHWSA-N	-1	0	298.264	2.833	20	30		CFEDRM
C=CCN(CCc1ccccc1)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000581558831	336102927	/nfs/dbraw/zinc/10/29/27/336102927.db2.gz	CBQKTHDEACLNFQ-AWEZNQCLSA-N	-1	0	289.375	2.745	20	30		CFEDRM
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1C	ZINC000581669214	336125649	/nfs/dbraw/zinc/12/56/49/336125649.db2.gz	IXDZSMNYQGDOFW-TZMCWYRMSA-N	-1	0	289.331	2.613	20	30		CFEDRM